#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 -3.06 -3.17 0.03 5.02 -1.26 -4.49 118.16 111.23 1adn n LYS 2 Ca 0.00 2.16 -0.42 0.00 -2.02 0.00 0.00 58.31 58.03 1adn n LYS 2 Cb 0.00 -3.70 -0.00 0.00 -0.02 0.00 0.00 35.03 31.31 1adn n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1adn n LYS 3 N -4.31 3.96 -0.69 1.97 5.02 -1.26 -5.07 118.16 117.79 1adn n LYS 3 Ca -0.01 -4.54 -0.32 0.00 -2.02 0.00 0.00 58.31 51.42 1adn n LYS 3 Cb 0.68 -2.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.70 -2.32 -3.00 7.82 0.00 -1.26 -5.07 120.51 118.38 1adn n ALA 4 Ca 0.25 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1adn n ALA 4 Cb 0.35 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -4.15 0.00 0.31 0.00 -2.24 -1.26 -5.04 114.28 101.89 1adn n THR 5 Ca 0.07 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.02 1adn n THR 5 Cb 0.54 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.88 2.89 0.05 0.00 -0.00 -1.26 -3.72 117.00 112.08 1adn n LEU 7 Ca 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 56.01 54.54 1adn n LEU 7 Cb 0.24 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1adn n LEU 7 CO 0.24 0.43 0.00 0.35 -0.00 0.00 0.00 177.39 178.41 1adn n THR 8 N 0.16 0.02 0.08 1.47 -2.24 -1.13 -4.87 114.28 107.78 1adn n THR 8 Ca 0.11 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1adn n THR 8 Cb 0.63 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1adn n THR 8 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1adn h ASP 9 N 0.00 0.31 0.06 3.42 1.82 -1.77 -1.34 116.42 118.92 1adn h ASP 9 Ca 0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1adn h ASP 9 Cb 0.00 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1adn h ASP 9 CO 0.00 0.96 -0.03 0.44 -1.61 0.00 0.00 179.24 179.00 1adn h ASP 10 N 0.17 -0.06 -0.79 2.28 3.32 -1.81 -2.48 116.42 117.05 1adn h ASP 10 Ca -0.03 -0.56 0.04 0.00 0.02 0.00 0.00 57.03 56.50 1adn h ASP 10 Cb 1.33 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 1adn h ASP 10 CO 0.12 0.57 0.50 1.56 -1.72 0.00 0.00 179.24 180.27 1adn h GLN 11 N -0.75 0.94 0.00 3.56 4.20 -1.68 0.31 115.11 121.69 1adn h GLN 11 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1adn h GLN 11 Cb 0.62 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1adn h GLN 11 CO 0.01 0.62 0.00 0.54 -0.67 0.00 0.00 178.83 179.33 1adn n ARG 12 N -4.61 0.00 0.10 1.46 3.00 -0.50 0.35 116.66 116.45 1adn n ARG 12 Ca 0.09 0.62 -0.04 0.00 -0.01 0.00 0.00 57.85 58.52 1adn n ARG 12 Cb 0.10 -1.16 0.14 0.00 0.00 0.00 0.00 32.46 31.53 1adn n ARG 12 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1adn h TRP 13 N 0.00 0.22 -0.57 -1.55 2.91 -1.41 0.48 115.95 116.03 1adn h TRP 13 Ca 0.00 -0.09 0.12 0.00 1.13 0.00 0.00 58.89 60.06 1adn h TRP 13 Cb 0.00 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 1adn h TRP 13 CO -0.28 0.73 0.39 0.37 -1.03 0.00 0.00 178.44 178.63 1adn h GLN 14 N 0.13 0.23 -0.84 2.65 4.15 -0.40 0.50 115.11 121.53 1adn h GLN 14 Ca -0.01 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1adn h GLN 14 Cb 1.10 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 1adn h GLN 14 CO 0.09 0.15 0.53 0.77 -1.93 0.00 0.00 178.83 178.44 1adn h SER 15 N 0.23 0.86 -0.20 -0.69 0.02 0.22 1.00 113.55 114.99 1adn h SER 15 Ca 0.27 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1adn h SER 15 Cb 0.74 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1adn h SER 15 CO -0.05 0.57 -0.37 0.58 -1.14 0.00 0.00 176.83 176.42 1adn h VAL 16 N 1.00 0.20 -0.91 2.27 2.07 0.25 -1.56 116.25 119.57 1adn h VAL 16 Ca 0.35 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.07 1adn h VAL 16 Cb 0.08 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 29.94 1adn h VAL 16 CO -0.14 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.84 1adn h LEU 17 N -0.41 0.50 -4.49 2.57 3.38 -0.73 0.11 115.31 116.24 1adn h LEU 17 Ca 0.10 0.13 -0.44 0.00 0.09 0.00 0.00 57.88 57.76 1adn h LEU 17 Cb 0.58 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 1adn h LEU 17 CO -0.42 0.12 0.46 0.00 0.09 0.00 0.00 178.44 178.69 1adn n ALA 18 N -2.43 6.51 0.09 1.53 0.00 0.29 -4.80 120.51 121.71 1adn n ALA 18 Ca 0.21 -2.81 0.05 0.00 0.00 0.00 0.00 53.44 50.89 1adn n ALA 18 Cb 0.59 -2.29 0.25 0.00 0.00 0.00 0.00 19.45 18.00 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 1.50 0.06 0.01 0.00 -4.01 0.38 -3.84 116.66 110.75 1adn n ARG 19 Ca 0.49 0.50 -0.01 0.00 -1.04 0.00 0.00 57.85 57.79 1adn n ARG 19 Cb 0.62 -1.87 -0.00 0.00 -3.04 0.00 0.00 32.46 28.16 1adn n ARG 19 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1adn h ASP 20 N 0.00 -0.04 0.00 2.89 3.58 -1.84 -3.41 116.42 117.61 1adn h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1adn h ASP 20 Cb 0.34 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1adn h ASP 20 CO 0.00 0.02 0.00 -0.81 -2.88 0.00 0.00 179.24 175.57 1adn n PRO 21 N -2.39 0.00 -2.64 0.28 -0.04 -1.25 -4.67 135.00 124.28 1adn n PRO 21 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 1adn n PRO 21 Cb 0.02 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.49 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 0.00 7.19 0.00 3.54 4.05 -1.26 -3.72 115.26 125.06 1adn n ASN 22 Ca 0.00 -3.57 0.00 0.00 0.45 0.00 0.00 54.58 51.46 1adn n ASN 22 Cb 0.00 -1.22 0.00 0.00 1.23 0.00 0.00 39.78 39.79 1adn n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1adn n ALA 23 N 0.48 0.59 -1.00 5.20 0.00 -1.26 -4.94 120.51 119.57 1adn n ALA 23 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1adn n ALA 23 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1adn n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1adn n ASP 24 N -1.40 0.00 -0.49 0.00 9.92 -1.24 -3.72 116.55 119.61 1adn n ASP 24 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1adn n ASP 24 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1adn n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1adn n GLY 25 N 0.00 0.92 0.04 0.44 0.00 -1.26 -2.65 105.19 102.68 1adn n GLY 25 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1adn n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1adn n GLU 26 N -0.04 0.16 -3.92 1.61 -0.58 -1.25 -4.99 120.64 111.64 1adn n GLU 26 Ca 0.03 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1adn n GLU 26 Cb 0.26 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1adn s PHE 27 N -3.09 0.04 0.02 -0.32 -0.71 -1.08 -4.66 117.98 108.17 1adn s PHE 27 Ca 0.09 -0.26 -0.06 0.00 -1.04 0.00 0.00 56.93 55.66 1adn s PHE 27 Cb 0.15 0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 42.57 1adn s PHE 27 CO 0.69 -0.52 0.10 0.14 -1.34 0.00 0.00 175.22 174.28 1adn s VAL 28 N -2.12 0.10 0.01 -2.49 -7.23 0.25 -4.33 120.40 104.60 1adn s VAL 28 Ca 0.25 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1adn s VAL 28 Cb -0.01 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1adn s VAL 28 CO 0.01 -0.48 -0.08 0.72 -0.31 0.00 0.00 175.10 174.96 1adn s PHE 29 N -1.83 0.74 -0.36 2.82 -0.12 -0.42 -0.23 117.98 118.59 1adn s PHE 29 Ca -0.11 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1adn s PHE 29 Cb -0.06 -0.46 0.11 0.00 -0.63 0.00 0.00 43.02 41.98 1adn s PHE 29 CO -0.01 -0.02 0.13 0.00 -0.05 0.00 0.00 175.22 175.27 1adn s ALA 30 N -0.58 2.09 -0.41 1.99 0.00 -0.32 -0.40 121.76 124.13 1adn s ALA 30 Ca -0.01 -2.17 -0.21 0.00 0.00 0.00 0.00 51.96 49.57 1adn s ALA 30 Cb -0.05 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1adn s ALA 30 CO 0.00 -1.78 0.65 0.54 0.00 0.00 0.00 175.76 175.16 1adn s VAL 31 N 1.06 4.84 -0.15 0.00 0.11 -0.91 -0.10 120.40 125.24 1adn s VAL 31 Ca 0.12 0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1adn s VAL 31 Cb -0.20 -4.17 0.15 0.00 -1.53 0.00 0.00 36.38 30.63 1adn s VAL 31 CO -0.14 -0.52 1.16 -1.14 -3.33 0.00 0.00 175.10 171.14 1adn n ARG 32 N 6.21 1.31 -0.11 1.54 0.63 -1.10 -2.90 116.66 122.25 1adn n ARG 32 Ca -0.01 -0.64 -0.14 0.00 -0.92 0.00 0.00 57.85 56.14 1adn n ARG 32 Cb 0.48 -1.28 -0.14 0.00 0.45 0.00 0.00 32.46 31.97 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 0.15 1.40 -0.74 5.15 -1.04 -1.26 -4.45 114.28 113.49 1adn n THR 33 Ca 0.12 -0.69 0.08 0.00 -2.04 0.00 0.00 64.05 61.51 1adn n THR 33 Cb 0.73 -0.94 0.23 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.98 1.90 -3.55 12.58 -1.04 -1.20 -5.00 114.28 114.98 1adn n THR 34 Ca -0.38 -1.61 -0.26 0.00 -2.04 0.00 0.00 64.05 59.76 1adn n THR 34 Cb 1.06 -0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 69.54 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 -0.19 -0.48 3.21 3.41 0.00 -1.14 -4.97 105.19 105.03 1adn n GLY 35 Ca 0.18 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.99 1.77 -0.15 -0.61 -4.36 -1.20 -4.10 121.20 109.56 1adn s ILE 36 Ca 0.48 -0.91 -0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1adn s ILE 36 Cb -0.25 -1.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 1adn s ILE 36 CO 0.59 0.50 -0.12 0.72 0.24 0.00 0.00 174.94 176.86 1adn s PHE 37 N -0.08 2.84 0.04 1.37 -0.12 0.44 -2.14 117.98 120.33 1adn s PHE 37 Ca -0.04 -0.74 -0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1adn s PHE 37 Cb -0.13 -1.89 -0.03 0.00 -0.63 0.00 0.00 43.02 40.34 1adn s PHE 37 CO 0.03 -0.30 -0.04 0.00 -0.05 0.00 0.00 175.22 174.86 1adn s ARG 39 N -3.01 3.82 0.00 0.00 3.52 -1.07 -1.29 118.95 120.91 1adn s ARG 39 Ca -0.01 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1adn s ARG 39 Cb 0.01 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 1adn s ARG 39 CO -0.06 -1.25 0.00 -2.30 -0.81 0.00 0.00 175.30 170.88 1adn n PRO 40 N 7.53 0.00 0.00 5.12 -0.02 -1.26 -4.58 135.00 141.79 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 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 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 -4.54 2.55 2.88 -1.26 -4.43 113.62 108.82 1adn n SER 41 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1adn n SER 41 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 18.21 0.87 -7.06 0.00 3.08 -1.97 -3.46 114.38 124.04 1adn h ARG 43 Ca -0.20 -0.39 -0.39 0.00 0.07 0.00 0.00 59.98 59.07 1adn h ARG 43 Cb 1.28 -0.02 0.21 0.00 0.08 0.00 0.00 29.97 31.52 1adn h ARG 43 CO 1.20 1.03 -0.09 0.00 -1.07 0.00 0.00 179.97 181.04 1adn s ALA 44 N -4.61 -0.67 0.57 0.04 0.00 -1.26 -4.83 121.76 110.99 1adn s ALA 44 Ca -0.12 -0.73 0.30 0.00 0.00 0.00 0.00 51.96 51.41 1adn s ALA 44 Cb 0.11 -2.98 1.44 0.00 0.00 0.00 0.00 23.12 21.69 1adn s ALA 44 CO 0.85 -4.48 1.84 0.00 0.00 0.00 0.00 175.76 173.98 1adn h ARG 45 N -3.30 0.00 0.00 0.00 3.08 -2.04 -3.42 114.38 108.70 1adn h ARG 45 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1adn h ARG 45 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1adn h ARG 45 CO 0.32 0.00 0.00 1.58 -1.07 0.00 0.00 179.97 180.80 1adn n HIS 46 N -3.87 0.00 -3.49 3.04 -0.00 -1.26 -4.69 115.22 104.95 1adn n HIS 46 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.76 1adn n HIS 46 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.83 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 -1.00 -1.78 0.88 1.57 0.00 -1.26 -4.99 121.76 115.18 1adn s ALA 47 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1adn s ALA 47 Cb 0.00 0.38 0.12 0.00 0.00 0.00 0.00 23.12 23.62 1adn s ALA 47 CO 0.00 -0.64 1.13 -0.48 0.00 0.00 0.00 175.76 175.76 1adn s LEU 48 N -2.30 2.17 0.00 0.00 0.05 -1.26 -4.97 118.68 112.37 1adn s LEU 48 Ca 0.02 1.04 0.08 0.00 0.05 0.00 0.00 54.13 55.33 1adn s LEU 48 Cb -0.01 -3.45 0.30 0.00 -2.05 0.00 0.00 46.19 40.99 1adn s LEU 48 CO -0.07 -2.39 1.22 -1.14 -0.55 0.00 0.00 176.35 173.42 1adn n ARG 49 N -3.67 1.37 0.00 1.48 0.00 -1.26 -4.27 116.66 110.30 1adn n ARG 49 Ca 0.07 -0.57 0.14 0.00 -0.00 0.00 0.00 57.85 57.50 1adn n ARG 49 Cb 0.59 -1.17 0.64 0.00 0.00 0.00 0.00 32.46 32.51 1adn n ARG 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1adn n GLU 50 N -0.08 1.27 -0.87 -0.14 1.02 -1.26 -3.01 120.64 117.57 1adn n GLU 50 Ca 0.07 -0.56 0.02 0.00 -0.02 0.00 0.00 57.16 56.67 1adn n GLU 50 Cb 0.15 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1adn n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1adn n ASN 51 N -0.38 0.47 -4.87 1.62 0.23 -1.26 -5.14 115.26 105.93 1adn n ASN 51 Ca 0.19 -2.06 -0.35 0.00 -0.53 0.00 0.00 54.58 51.83 1adn n ASN 51 Cb 0.28 -0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.67 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1adn s VAL 52 N -0.13 5.36 0.47 3.53 0.11 -1.16 -2.71 120.40 125.86 1adn s VAL 52 Ca 0.14 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 1adn s VAL 52 Cb 0.16 -3.40 0.01 0.00 -1.53 0.00 0.00 36.38 31.62 1adn s VAL 52 CO -0.07 0.48 0.49 -0.55 -3.33 0.00 0.00 175.10 172.13 1adn s SER 53 N -1.43 5.07 0.06 3.54 0.15 0.86 -4.87 113.70 117.09 1adn s SER 53 Ca 0.20 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 56.06 1adn s SER 53 Cb -0.12 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1adn s SER 53 CO 0.10 -0.88 -0.07 -0.36 1.20 0.00 0.00 173.24 173.23 1adn s PHE 54 N -2.55 0.75 0.06 3.44 0.08 -1.26 -1.17 117.98 117.33 1adn s PHE 54 Ca 0.49 -0.67 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1adn s PHE 54 Cb -0.04 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1adn s PHE 54 CO 0.29 -0.11 0.36 0.71 -0.10 0.00 0.00 175.22 176.37 1adn s TYR 55 N -2.27 -0.17 0.34 0.36 1.51 0.68 -4.97 117.35 112.82 1adn s TYR 55 Ca -0.01 0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 1adn s TYR 55 Cb -0.04 0.16 0.61 0.00 -0.11 0.00 0.00 41.96 42.58 1adn s TYR 55 CO -0.02 -0.56 1.84 0.00 -1.11 0.00 0.00 175.55 175.70 1adn h ALA 56 N 2.99 1.33 -2.69 3.71 0.00 -1.88 0.73 119.26 123.47 1adn h ALA 56 Ca -0.32 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1adn h ALA 56 Cb 1.21 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1adn h ALA 56 CO 0.45 0.45 -0.52 1.21 0.00 0.00 0.00 179.25 180.84 1adn s ASN 57 N -6.82 0.13 0.65 0.00 3.84 -1.26 -3.43 114.94 108.04 1adn s ASN 57 Ca -0.06 -0.41 0.43 0.00 0.21 0.00 0.00 52.86 53.03 1adn s ASN 57 Cb 0.15 0.21 2.27 0.00 -0.55 0.00 0.00 41.25 43.32 1adn s ASN 57 CO 0.76 -0.44 2.32 0.00 -2.79 0.00 0.00 177.10 176.94 1adn h ALA 58 N 3.97 1.01 -0.70 1.71 0.00 -1.91 -2.35 119.26 120.99 1adn h ALA 58 Ca -0.32 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.74 1adn h ALA 58 Cb 1.19 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1adn h ALA 58 CO 0.46 0.00 0.06 0.66 0.00 0.00 0.00 179.25 180.43 1adn h SER 59 N 0.00 -0.20 -0.08 0.00 4.64 -1.99 0.33 113.55 116.25 1adn h SER 59 Ca -0.00 0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1adn h SER 59 Cb 0.08 0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1adn h SER 59 CO 0.00 -0.11 -0.13 -0.08 -0.87 0.00 0.00 176.83 175.64 1adn h GLU 60 N 0.16 0.22 -0.83 4.77 4.81 -1.84 0.94 114.58 122.81 1adn h GLU 60 Ca 0.38 -0.14 0.24 0.00 -0.13 0.00 0.00 59.36 59.72 1adn h GLU 60 Cb 0.66 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1adn h GLU 60 CO -0.57 0.71 0.64 0.00 -0.73 0.00 0.00 179.01 179.06 1adn h ALA 61 N 0.51 2.74 -0.01 2.92 0.00 -1.55 0.99 119.26 124.86 1adn h ALA 61 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1adn h ALA 61 Cb 0.69 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1adn h ALA 61 CO 0.03 -1.07 -0.68 1.25 0.00 0.00 0.00 179.25 178.77 1adn h LEU 62 N 0.00 0.62 -2.11 0.00 6.46 -0.01 -2.40 115.31 117.87 1adn h LEU 62 Ca 0.39 -0.75 0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1adn h LEU 62 Cb 1.67 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 1adn h LEU 62 CO -0.00 1.28 0.32 0.00 -0.62 0.00 0.00 178.44 179.42 1adn h ALA 63 N 0.35 1.78 -0.51 1.25 0.00 0.18 1.44 119.26 123.75 1adn h ALA 63 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1adn h ALA 63 Cb 1.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1adn h ALA 63 CO 0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 179.25 178.83 1adn h ALA 64 N 1.57 0.81 0.00 0.00 0.00 0.11 -3.48 119.26 118.27 1adn h ALA 64 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1adn h ALA 64 Cb 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 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 -0.28 1.63 1.38 0.00 0.00 0.49 -5.09 105.19 103.31 1adn n GLY 65 Ca 0.01 0.00 -0.08 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 -1.11 -3.12 -3.39 1.61 7.35 -1.00 -5.03 117.46 112.78 1adn n PHE 66 Ca 0.00 -0.65 -0.41 0.00 -0.76 0.00 0.00 57.45 55.63 1adn n PHE 66 Cb 0.00 -0.24 -0.09 0.00 0.35 0.00 0.00 39.48 39.49 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 -3.26 3.62 -0.39 -4.13 3.00 -1.26 -4.81 118.95 111.72 1adn s ARG 67 Ca 0.23 -0.35 -0.27 0.00 -1.00 0.00 0.00 55.73 54.34 1adn s ARG 67 Cb -0.01 -3.79 -0.07 0.00 0.00 0.00 0.00 34.95 31.08 1adn s ARG 67 CO 0.15 -0.51 2.35 -0.35 0.00 0.00 0.00 175.30 176.94 1adn n PRO 68 N 5.41 1.37 -3.58 5.12 -0.04 -1.26 -0.42 135.00 141.59 1adn n PRO 68 Ca -0.09 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 1adn n PRO 68 Cb 0.49 -3.30 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 1adn n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1adn n LYS 70 N 4.93 0.00 0.00 0.00 5.02 -1.26 -2.61 118.16 124.24 1adn n LYS 70 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1adn n LYS 70 Cb 0.43 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 -1.00 0.00 0.00 1.97 0.63 -1.26 -4.65 116.66 112.35 1adn n ARG 71 Ca 0.00 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 1adn n ARG 71 Cb 0.00 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.68 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 0.00 0.00 0.00 0.00 -0.06 -1.26 -4.98 117.38 111.08 1adn n GLN 73 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1adn n GLN 73 Cb 0.00 -0.98 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 1adn n GLN 73 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1adn n PRO 74 N 1.21 0.00 0.00 3.69 -0.02 -1.26 -5.05 135.00 133.57 1adn n PRO 74 Ca 0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1adn n PRO 74 Cb 0.35 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1adn n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1adn n ASP 75 N -1.95 0.00 -4.21 2.55 -0.08 -1.26 -5.13 116.55 106.47 1adn n ASP 75 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1adn n ASP 75 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 1adn n ASP 75 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1adn s LYS 76 N 0.00 2.52 0.00 -0.67 -2.85 -1.26 -4.99 119.74 112.49 1adn s LYS 76 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1adn s LYS 76 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1adn s LYS 76 CO 0.00 0.26 0.00 0.00 0.10 0.00 0.00 175.35 175.71 1adn n ALA 77 N 3.25 0.00 -3.15 0.59 0.00 -1.26 -3.18 120.51 116.77 1adn n ALA 77 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1adn n ALA 77 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 -6.06 -2.69 0.00 5.15 -1.26 -5.01 115.26 105.39 1adn n ASN 78 Ca 0.00 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1adn n ASN 78 Cb 0.00 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.74 1adn n ASN 78 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1adn n PRO 79 N 0.95 -1.23 -4.01 1.20 -0.04 -1.19 -5.14 135.00 125.54 1adn n PRO 79 Ca -0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1adn n PRO 79 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1adn n PRO 79 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1adn s ARG 80 N -2.89 1.60 0.00 0.54 3.00 -1.26 -5.19 118.95 114.75 1adn s ARG 80 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 55.73 54.41 1adn s ARG 80 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 34.95 35.42 1adn s ARG 80 CO 0.00 -0.67 0.00 1.04 0.00 0.00 0.00 175.30 175.67 1adn n GLN 81 N -0.40 0.00 -0.03 3.54 6.02 -1.26 -5.21 117.38 120.04 1adn n GLN 81 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1adn n GLN 81 Cb 0.62 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.88 1adn n GLN 81 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1adn n HIS 82 N -0.45 -0.02 -1.61 1.08 1.44 -1.26 -5.12 115.22 109.28 1adn n HIS 82 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1adn n HIS 82 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1adn n HIS 82 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1adn n ARG 83 N 0.00 2.08 -0.18 -1.40 0.00 -1.26 -4.76 116.66 111.14 1adn n ARG 83 Ca 0.00 0.60 0.02 0.00 -0.00 0.00 0.00 57.85 58.47 1adn n ARG 83 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 32.46 29.23 1adn n ARG 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1adn n LEU 84 N 11.23 -0.11 -1.33 6.15 7.94 -1.26 -5.11 117.00 134.51 1adn n LEU 84 Ca 0.29 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1adn n LEU 84 Cb 0.44 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1adn n LEU 84 CO 0.66 -0.38 0.00 -0.67 -1.11 0.00 0.00 177.39 175.89 1adn n ASP 85 N -2.70 -1.78 -2.62 1.96 2.03 -1.26 -5.06 116.55 107.12 1adn n ASP 85 Ca -0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1adn n ASP 85 Cb 0.09 -0.89 0.04 0.00 -0.72 0.00 0.00 41.12 39.63 1adn n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1adn n LYS 86 N 0.09 2.07 -3.84 -0.67 3.00 -1.26 -4.85 118.16 112.71 1adn n LYS 86 Ca 0.00 -3.65 -0.33 0.00 -0.00 0.00 0.00 58.31 54.33 1adn n LYS 86 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 35.03 33.29 1adn n LYS 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1adn s ILE 87 N -3.93 5.35 -0.58 3.15 2.07 -1.26 -5.08 121.20 120.92 1adn s ILE 87 Ca 0.33 -0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.55 1adn s ILE 87 Cb 0.38 -3.58 0.23 0.00 0.13 0.00 0.00 42.46 39.62 1adn s ILE 87 CO -0.02 0.27 0.63 0.41 -1.91 0.00 0.00 174.94 174.32 1adn n THR 88 N 0.77 1.34 -3.68 4.00 -1.04 -1.26 -5.06 114.28 109.35 1adn n THR 88 Ca -0.09 -4.78 -0.29 0.00 -2.04 0.00 0.00 64.05 56.85 1adn n THR 88 Cb 0.52 -2.05 -0.16 0.00 -1.82 0.00 0.00 70.33 66.82 1adn n THR 88 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1adn s HIS 89 N -1.86 1.10 0.00 -1.42 5.04 -1.26 -4.88 115.29 112.00 1adn s HIS 89 Ca 0.36 -1.20 0.00 0.00 -1.54 0.00 0.00 55.06 52.68 1adn s HIS 89 Cb 0.11 -1.26 0.00 0.00 0.04 0.00 0.00 32.58 31.47 1adn s HIS 89 CO -0.07 -0.77 0.00 0.00 -2.34 0.00 0.00 174.74 171.56 1adn n ALA 90 N 5.03 0.00 -0.66 1.58 0.00 -1.26 -5.11 120.51 120.08 1adn n ALA 90 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1adn n ALA 90 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50