#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 1.31 -0.32 3.17 2.85 -1.26 -4.97 118.16 118.94 1adn n LYS 2 Ca 0.00 -0.12 0.35 0.00 -1.05 0.00 0.00 58.31 57.48 1adn n LYS 2 Cb 0.00 0.01 0.63 0.00 -0.65 0.00 0.00 35.03 35.02 1adn n LYS 2 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1adn h LYS 3 N 0.00 0.00 0.00 -1.58 2.10 -2.12 -2.66 116.57 112.31 1adn h LYS 3 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1adn h LYS 3 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1adn h LYS 3 CO 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.47 1adn n ALA 4 N -2.52 -0.12 -3.24 0.07 0.00 -1.26 -4.82 120.51 108.61 1adn n ALA 4 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 1adn n ALA 4 Cb 1.49 0.31 -0.10 0.00 0.00 0.00 0.00 19.45 21.15 1adn n ALA 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1adn s THR 5 N -2.61 0.01 0.00 0.00 -4.23 -1.00 -5.19 115.64 102.61 1adn s THR 5 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1adn s THR 5 Cb 0.00 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1adn s THR 5 CO 0.00 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.04 1adn s LEU 7 N 0.00 3.34 0.00 0.00 2.01 -1.26 -4.58 118.68 118.19 1adn s LEU 7 Ca 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 54.13 53.18 1adn s LEU 7 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.64 1adn s LEU 7 CO 0.00 -1.70 0.00 0.35 1.01 0.00 0.00 176.35 176.01 1adn n THR 8 N 6.69 0.00 0.23 5.49 -2.24 -1.26 -4.85 114.28 118.33 1adn n THR 8 Ca 0.20 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 1adn n THR 8 Cb 0.50 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.26 1adn n THR 8 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1adn h ASP 9 N 0.00 0.01 0.36 3.42 2.03 -1.98 -2.09 116.42 118.17 1adn h ASP 9 Ca 0.00 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1adn h ASP 9 Cb 0.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1adn h ASP 9 CO 0.00 0.14 -0.17 -0.78 -1.03 0.00 0.00 179.24 177.40 1adn h ASP 10 N 0.01 -0.40 -0.30 4.15 3.58 -1.92 -2.78 116.42 118.75 1adn h ASP 10 Ca 0.00 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.34 1adn h ASP 10 Cb 0.24 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1adn h ASP 10 CO 0.02 0.02 0.11 0.06 -2.88 0.00 0.00 179.24 176.57 1adn h GLN 11 N -0.94 0.24 0.00 0.28 3.07 -1.88 0.34 115.11 116.21 1adn h GLN 11 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1adn h GLN 11 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1adn h GLN 11 CO 0.08 0.16 0.00 0.54 0.09 0.00 0.00 178.83 179.70 1adn n ARG 12 N -5.02 0.00 0.19 0.06 5.12 -0.79 0.18 116.66 116.40 1adn n ARG 12 Ca -0.00 0.84 0.08 0.00 -1.93 0.00 0.00 57.85 56.83 1adn n ARG 12 Cb 0.10 -1.35 0.25 0.00 -1.16 0.00 0.00 32.46 30.30 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 -0.26 -1.55 2.91 -1.46 0.62 115.95 116.20 1adn h TRP 13 Ca 0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 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 -0.64 0.28 0.13 0.37 -1.03 0.00 0.00 178.44 177.55 1adn h GLN 14 N 0.00 0.35 -0.31 2.65 -0.00 -0.23 0.36 115.11 117.93 1adn h GLN 14 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1adn h GLN 14 Cb 1.03 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.42 1adn h GLN 14 CO 0.04 0.27 0.12 0.77 0.00 0.00 0.00 178.83 180.03 1adn h SER 15 N 0.36 0.38 0.30 -0.69 0.02 0.21 0.24 113.55 114.37 1adn h SER 15 Ca 0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1adn h SER 15 Cb 0.03 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1adn h SER 15 CO -0.01 0.35 -0.15 0.58 -1.14 0.00 0.00 176.83 176.46 1adn h VAL 16 N 0.43 0.00 -0.47 2.27 2.07 -0.07 0.79 116.25 121.26 1adn h VAL 16 Ca 0.11 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1adn h VAL 16 Cb 0.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.78 1adn h VAL 16 CO -0.01 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.47 1adn h LEU 17 N -0.57 -0.27 0.00 2.57 3.38 -0.53 -2.82 115.31 117.07 1adn h LEU 17 Ca -0.04 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1adn h LEU 17 Cb 0.31 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1adn h LEU 17 CO 0.07 -0.09 -1.03 0.00 0.09 0.00 0.00 178.44 177.48 1adn h ALA 18 N 1.43 0.59 -0.70 1.53 0.00 -0.69 -3.48 119.26 117.93 1adn h ALA 18 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1adn h ALA 18 Cb 0.35 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1adn h ALA 18 CO -0.42 0.30 0.00 2.89 0.00 0.00 0.00 179.25 182.02 1adn n ARG 19 N -2.80 -0.08 0.14 0.00 0.00 0.27 -4.80 116.66 109.40 1adn n ARG 19 Ca -0.02 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.65 1adn n ARG 19 Cb 0.64 0.07 -0.06 0.00 -0.00 0.00 0.00 32.46 33.11 1adn n ARG 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1adn h ASP 20 N 0.26 -0.69 0.00 2.89 3.58 -1.88 -3.45 116.42 117.12 1adn h ASP 20 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1adn h ASP 20 Cb 0.00 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1adn h ASP 20 CO 0.00 -0.35 0.00 -0.81 -2.88 0.00 0.00 179.24 175.20 1adn n PRO 21 N -5.37 1.06 0.00 0.28 -0.04 -1.26 -5.12 135.00 124.55 1adn n PRO 21 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1adn n PRO 21 Cb 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.00 -3.25 3.54 5.15 -1.26 -5.02 115.26 114.42 1adn n ASN 22 Ca 0.00 0.02 -0.04 0.00 -0.60 0.00 0.00 54.58 53.96 1adn n ASN 22 Cb 0.00 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 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 -4.38 -1.81 -0.58 5.20 0.00 -1.26 -4.65 121.76 114.28 1adn s ALA 23 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 51.96 51.58 1adn s ALA 23 Cb 0.00 -2.51 -0.18 0.00 0.00 0.00 0.00 23.12 20.44 1adn s ALA 23 CO 0.00 -2.14 2.05 -0.25 0.00 0.00 0.00 175.76 175.42 1adn n ASP 24 N 4.50 0.54 0.00 0.00 9.92 -1.26 -3.09 116.55 127.16 1adn n ASP 24 Ca 0.10 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1adn n ASP 24 Cb 0.53 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 6.39 1.29 0.66 0.44 0.00 -1.26 -2.68 105.19 110.03 1adn n GLY 25 Ca 0.52 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -1.01 1.61 -0.58 -1.18 -5.14 120.64 114.33 1adn n GLU 26 Ca 0.00 -0.36 -0.34 0.00 -0.42 0.00 0.00 57.16 56.04 1adn n GLU 26 Cb 0.00 0.19 0.09 0.00 -0.57 0.00 0.00 31.44 31.16 1adn n GLU 26 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1adn n PHE 27 N 0.00 -1.30 -4.02 -0.32 -1.74 -0.70 -4.32 117.46 105.06 1adn n PHE 27 Ca -0.10 0.28 -0.08 0.00 -0.56 0.00 0.00 57.45 56.99 1adn n PHE 27 Cb 0.55 -1.83 -0.10 0.00 1.52 0.00 0.00 39.48 39.62 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 -2.16 0.18 -0.01 1.97 -7.23 0.33 -4.60 120.40 108.89 1adn s VAL 28 Ca 0.60 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1adn s VAL 28 Cb -0.27 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1adn s VAL 28 CO 0.64 -0.81 0.01 0.72 -0.31 0.00 0.00 175.10 175.35 1adn s PHE 29 N -3.27 0.02 -0.24 2.82 -0.71 0.37 -0.49 117.98 116.48 1adn s PHE 29 Ca 0.01 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.95 1adn s PHE 29 Cb 0.03 -0.08 0.05 0.00 -1.21 0.00 0.00 43.02 41.81 1adn s PHE 29 CO -0.08 -0.03 -0.09 0.00 -1.34 0.00 0.00 175.22 173.68 1adn s ALA 30 N 0.34 2.26 -0.42 1.99 0.00 -0.71 -0.77 121.76 124.44 1adn s ALA 30 Ca -0.03 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 1adn s ALA 30 Cb -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1adn s ALA 30 CO -0.01 -1.09 0.47 0.54 0.00 0.00 0.00 175.76 175.68 1adn s VAL 31 N 1.26 5.04 -0.32 0.00 0.11 -0.97 0.16 120.40 125.68 1adn s VAL 31 Ca -0.06 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1adn s VAL 31 Cb -0.19 -4.07 0.17 0.00 -1.53 0.00 0.00 36.38 30.77 1adn s VAL 31 CO -0.06 -0.45 1.10 -2.11 -3.33 0.00 0.00 175.10 170.24 1adn n ARG 32 N 5.72 1.50 -0.08 1.54 1.85 -1.09 -2.07 116.66 124.02 1adn n ARG 32 Ca -0.06 -0.74 -0.11 0.00 -1.00 0.00 0.00 57.85 55.94 1adn n ARG 32 Cb 0.47 -1.41 -0.08 0.00 -1.05 0.00 0.00 32.46 30.40 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 0.12 0.97 0.93 8.89 -1.04 -1.26 -4.53 114.28 118.35 1adn n THR 33 Ca 0.12 -0.40 0.09 0.00 -2.04 0.00 0.00 64.05 61.82 1adn n THR 33 Cb 0.69 -1.04 -0.10 0.00 -1.82 0.00 0.00 70.33 68.07 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 -2.92 0.00 -2.46 12.58 -1.04 -1.24 -5.05 114.28 114.14 1adn n THR 34 Ca -0.29 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.05 61.60 1adn n THR 34 Cb 0.84 1.02 0.03 0.00 -1.82 0.00 0.00 70.33 70.40 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 1.45 0.16 2.97 3.41 0.00 -0.88 -5.10 105.19 107.21 1adn n GLY 35 Ca 0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.13 0.44 -0.38 -0.61 -4.36 -1.19 -4.43 121.20 107.54 1adn s ILE 36 Ca 0.02 -0.32 -0.05 0.00 -0.26 0.00 0.00 60.65 60.03 1adn s ILE 36 Cb -0.00 -0.39 0.08 0.00 1.25 0.00 0.00 42.46 43.40 1adn s ILE 36 CO 0.26 0.07 0.17 0.72 0.24 0.00 0.00 174.94 176.39 1adn s PHE 37 N -0.26 3.40 0.36 1.37 -0.71 0.30 -2.30 117.98 120.14 1adn s PHE 37 Ca 0.01 -1.91 0.07 0.00 -1.04 0.00 0.00 56.93 54.05 1adn s PHE 37 Cb -0.03 -2.79 -0.07 0.00 -1.21 0.00 0.00 43.02 38.92 1adn s PHE 37 CO -0.00 -0.87 -0.01 0.00 -1.34 0.00 0.00 175.22 173.00 1adn s ARG 39 N -3.73 -0.34 0.00 0.00 1.70 -1.05 -0.48 118.95 115.06 1adn s ARG 39 Ca 0.34 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 1adn s ARG 39 Cb 0.07 -1.69 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1adn s ARG 39 CO 0.16 -3.14 0.00 -2.30 -1.08 0.00 0.00 175.30 168.94 1adn n PRO 40 N -4.38 0.00 -3.48 3.89 -0.02 -1.26 -4.66 135.00 125.09 1adn n PRO 40 Ca 0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1adn n PRO 40 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.05 1adn n PRO 40 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1adn s SER 41 N -3.00 -0.43 -0.06 2.55 0.15 -1.26 -4.67 113.70 106.97 1adn s SER 41 Ca 0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1adn s SER 41 Cb 0.00 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1adn s SER 41 CO 0.00 -0.75 -0.14 0.00 1.20 0.00 0.00 173.24 173.55 1adn n ARG 43 N 3.55 0.76 -1.61 0.00 1.74 -1.26 -4.58 116.66 115.26 1adn n ARG 43 Ca -0.21 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.70 1adn n ARG 43 Cb 0.52 -1.21 0.10 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.71 -0.35 -0.32 7.54 0.00 -1.26 -4.97 120.51 120.44 1adn n ALA 44 Ca 0.08 -1.22 0.26 0.00 0.00 0.00 0.00 53.44 52.56 1adn n ALA 44 Cb 0.04 0.10 0.48 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.47 -0.06 -1.24 0.00 1.85 -1.26 -4.94 116.66 108.53 1adn n ARG 45 Ca 0.11 1.38 0.15 0.00 -1.00 0.00 0.00 57.85 58.49 1adn n ARG 45 Cb 0.38 -2.38 -0.05 0.00 -1.05 0.00 0.00 32.46 29.36 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 -5.28 -3.02 -4.43 2.89 -0.00 -1.26 -5.05 115.22 99.07 1adn n HIS 46 Ca 0.33 1.56 -0.22 0.00 -0.00 0.00 0.00 57.72 59.38 1adn n HIS 46 Cb 1.09 -2.75 -0.09 0.00 -0.00 0.00 0.00 29.99 28.25 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 -2.77 2.43 0.84 1.57 0.00 -1.26 -5.11 121.76 117.46 1adn s ALA 47 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 51.96 50.29 1adn s ALA 47 Cb 0.00 0.90 0.17 0.00 0.00 0.00 0.00 23.12 24.18 1adn s ALA 47 CO 0.00 -0.40 1.15 -0.48 0.00 0.00 0.00 175.76 176.03 1adn s LEU 48 N -3.49 2.86 -0.05 0.00 0.05 -1.26 -4.99 118.68 111.79 1adn s LEU 48 Ca 0.31 -0.13 0.07 0.00 0.05 0.00 0.00 54.13 54.43 1adn s LEU 48 Cb 0.05 -2.04 0.30 0.00 -2.05 0.00 0.00 46.19 42.45 1adn s LEU 48 CO 0.16 -2.31 1.10 -2.11 -0.55 0.00 0.00 176.35 172.64 1adn n ARG 49 N -3.28 2.17 0.11 1.48 1.85 -1.26 -4.26 116.66 113.48 1adn n ARG 49 Ca 0.16 -1.18 0.07 0.00 -1.00 0.00 0.00 57.85 55.89 1adn n ARG 49 Cb 0.60 -1.54 0.02 0.00 -1.05 0.00 0.00 32.46 30.48 1adn n ARG 49 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1adn h GLU 50 N 1.68 0.00 0.00 2.89 4.39 -2.01 -3.33 114.58 118.19 1adn h GLU 50 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1adn h GLU 50 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1adn h GLU 50 CO 0.11 0.17 -0.26 0.27 -1.16 0.00 0.00 179.01 178.14 1adn n ASN 51 N -2.92 0.83 -4.96 1.42 6.94 -1.26 -5.13 115.26 110.17 1adn n ASN 51 Ca -0.01 -2.20 -0.22 0.00 -0.02 0.00 0.00 54.58 52.13 1adn n ASN 51 Cb 0.66 -0.23 0.01 0.00 -2.36 0.00 0.00 39.78 37.86 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 -0.91 3.89 0.37 3.53 0.11 -1.25 -2.69 120.40 123.45 1adn s VAL 52 Ca 0.09 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1adn s VAL 52 Cb 0.08 -3.42 -0.06 0.00 -1.53 0.00 0.00 36.38 31.46 1adn s VAL 52 CO 0.01 -0.26 0.06 -0.55 -3.33 0.00 0.00 175.10 171.02 1adn s SER 53 N -4.23 2.87 0.01 3.54 0.15 0.43 -4.89 113.70 111.59 1adn s SER 53 Ca 0.48 -1.45 -0.02 0.00 0.70 0.00 0.00 55.95 55.66 1adn s SER 53 Cb -0.10 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1adn s SER 53 CO 0.36 -0.66 0.02 -0.36 1.20 0.00 0.00 173.24 173.80 1adn s PHE 54 N -3.14 0.18 0.12 3.44 0.08 -1.26 -1.73 117.98 115.67 1adn s PHE 54 Ca 0.31 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.85 1adn s PHE 54 Cb 0.07 -0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.41 1adn s PHE 54 CO 0.15 -0.20 0.34 0.71 -0.10 0.00 0.00 175.22 176.12 1adn s TYR 55 N -1.30 -0.08 -0.13 0.36 1.51 0.35 -4.99 117.35 113.07 1adn s TYR 55 Ca -0.14 -0.27 0.14 0.00 -1.01 0.00 0.00 57.07 55.79 1adn s TYR 55 Cb -0.09 0.17 0.03 0.00 -0.11 0.00 0.00 41.96 41.96 1adn s TYR 55 CO -0.00 -0.67 1.42 0.00 -1.11 0.00 0.00 175.55 175.19 1adn h ALA 56 N 2.47 0.64 -2.39 3.71 0.00 -1.91 0.96 119.26 122.75 1adn h ALA 56 Ca -0.34 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 53.96 1adn h ALA 56 Cb 1.24 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1adn h ALA 56 CO 0.49 0.69 -0.53 1.21 0.00 0.00 0.00 179.25 181.11 1adn s ASN 57 N -6.48 0.30 0.39 0.00 3.04 -1.26 -1.72 114.94 109.21 1adn s ASN 57 Ca 0.04 -0.81 0.12 0.00 0.04 0.00 0.00 52.86 52.25 1adn s ASN 57 Cb 0.08 0.26 0.79 0.00 -1.54 0.00 0.00 41.25 40.84 1adn s ASN 57 CO 0.75 -0.65 1.88 0.00 -3.04 0.00 0.00 177.10 176.05 1adn h ALA 58 N 3.03 1.48 -1.11 1.71 0.00 -1.91 -2.55 119.26 119.90 1adn h ALA 58 Ca -0.34 -0.26 0.31 0.00 0.00 0.00 0.00 54.91 54.62 1adn h ALA 58 Cb 1.17 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1adn h ALA 58 CO 0.60 0.38 0.77 1.03 0.00 0.00 0.00 179.25 182.03 1adn h SER 59 N 0.08 0.15 0.17 0.00 0.87 -1.97 1.19 113.55 114.03 1adn h SER 59 Ca 0.01 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1adn h SER 59 Cb 0.50 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1adn h SER 59 CO 0.04 0.02 -0.08 -0.08 -0.53 0.00 0.00 176.83 176.20 1adn h GLU 60 N 0.13 -0.22 0.00 2.24 4.57 -1.88 0.17 114.58 119.58 1adn h GLU 60 Ca 0.56 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 1adn h GLU 60 Cb 1.96 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.60 1adn h GLU 60 CO -0.10 -0.15 0.25 0.00 -1.18 0.00 0.00 179.01 177.83 1adn n ALA 61 N -2.39 0.63 0.05 2.92 0.00 -1.09 0.37 120.51 121.00 1adn n ALA 61 Ca -0.03 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1adn n ALA 61 Cb 0.09 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 1adn n ALA 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1adn h LEU 62 N 0.00 0.53 -1.89 0.00 6.46 0.15 -2.41 115.31 118.15 1adn h LEU 62 Ca 0.00 -0.91 0.15 0.00 -0.12 0.00 0.00 57.88 57.01 1adn h LEU 62 Cb 0.50 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1adn h LEU 62 CO 0.00 1.62 0.54 0.00 -0.62 0.00 0.00 178.44 179.98 1adn h ALA 63 N 0.05 2.28 -0.28 1.25 0.00 0.30 1.45 119.26 124.31 1adn h ALA 63 Ca -0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1adn h ALA 63 Cb 1.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1adn h ALA 63 CO 0.14 -0.82 -0.51 0.00 0.00 0.00 0.00 179.25 178.06 1adn h ALA 64 N 1.41 0.44 0.00 0.00 0.00 -0.99 -3.49 119.26 116.63 1adn h ALA 64 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1adn h ALA 64 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1adn h ALA 64 CO -0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1adn n GLY 65 N 0.37 0.99 1.26 0.00 0.00 0.50 -5.11 105.19 103.19 1adn n GLY 65 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.90 -3.33 1.61 7.35 -0.94 -5.03 117.46 114.22 1adn n PHE 66 Ca 0.00 -0.65 -0.43 0.00 -0.76 0.00 0.00 57.45 55.61 1adn n PHE 66 Cb 0.00 -0.19 -0.08 0.00 0.35 0.00 0.00 39.48 39.55 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 -2.96 3.06 -0.47 -4.13 6.06 -1.26 -4.87 118.95 114.37 1adn s ARG 67 Ca 0.20 -0.93 -0.42 0.00 -2.50 0.00 0.00 55.73 52.08 1adn s ARG 67 Cb -0.01 -4.02 -0.18 0.00 0.06 0.00 0.00 34.95 30.80 1adn s ARG 67 CO 0.13 -0.93 2.14 -2.30 -2.50 0.00 0.00 175.30 171.84 1adn n PRO 68 N 5.55 0.21 -3.69 5.12 -0.02 -1.26 -0.54 135.00 140.36 1adn n PRO 68 Ca -0.09 0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 1adn n PRO 68 Cb 0.46 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.79 0.00 0.00 0.00 4.81 -1.26 -2.52 118.16 122.98 1adn n LYS 70 Ca 0.07 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1adn n LYS 70 Cb 0.36 -0.40 0.00 0.00 0.02 0.00 0.00 35.03 35.00 1adn n LYS 70 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1adn n ARG 71 N -0.92 0.00 0.00 1.64 3.00 -1.26 -4.50 116.66 114.62 1adn n ARG 71 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 1adn n ARG 71 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.17 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 -0.32 -0.70 0.00 3.00 -1.26 -4.98 117.38 113.12 1adn n GLN 73 Ca 0.00 -0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.63 1adn n GLN 73 Cb 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 30.24 29.16 1adn n GLN 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1adn n PRO 74 N 1.63 0.00 -2.97 -1.09 -0.02 -1.26 -5.06 135.00 126.23 1adn n PRO 74 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 1adn n PRO 74 Cb 0.52 -0.70 -0.02 0.00 -0.02 0.00 0.00 33.50 33.28 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 2.45 -2.41 -4.57 2.55 2.03 -1.26 -5.09 116.55 110.25 1adn n ASP 75 Ca -0.01 -2.76 -0.36 0.00 0.52 0.00 0.00 54.79 52.17 1adn n ASP 75 Cb 0.52 0.98 -0.03 0.00 -0.72 0.00 0.00 41.12 41.86 1adn n ASP 75 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1adn s LYS 76 N 0.55 3.24 0.00 -0.67 -2.85 -1.26 -3.38 119.74 115.37 1adn s LYS 76 Ca 0.31 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 1adn s LYS 76 Cb 0.03 -5.30 0.00 0.00 -2.06 0.00 0.00 37.83 30.50 1adn s LYS 76 CO -0.11 -2.78 0.00 0.00 0.10 0.00 0.00 175.35 172.56 1adn n ALA 77 N 10.92 0.00 -0.63 0.59 0.00 -1.26 -5.15 120.51 124.98 1adn n ALA 77 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1adn n ALA 77 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.00 -0.96 -0.09 0.00 3.02 -1.22 -5.05 115.26 110.96 1adn n ASN 78 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1adn n ASN 78 Cb 0.00 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 1adn n ASN 78 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1adn h PRO 79 N 0.00 0.67 -0.22 3.52 0.13 -1.99 -3.46 132.00 130.65 1adn h PRO 79 Ca 0.00 -0.36 0.13 0.00 -0.87 0.00 0.00 66.00 64.90 1adn h PRO 79 Cb 0.00 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 1adn h PRO 79 CO 0.00 0.97 -0.12 -0.98 -0.23 0.00 0.00 178.00 177.64 1adn s ARG 80 N -4.34 0.18 1.02 0.86 1.70 -1.26 -4.98 118.95 112.13 1adn s ARG 80 Ca -0.12 -0.06 -0.14 0.00 -0.47 0.00 0.00 55.73 54.93 1adn s ARG 80 Cb 0.08 0.02 0.16 0.00 -0.57 0.00 0.00 34.95 34.65 1adn s ARG 80 CO 0.82 -0.26 0.28 1.04 -1.08 0.00 0.00 175.30 176.10 1adn n GLN 81 N 3.69 -2.24 -1.82 3.89 6.02 -1.26 -4.02 117.38 121.64 1adn n GLN 81 Ca 0.06 -0.66 -0.15 0.00 -0.01 0.00 0.00 57.00 56.24 1adn n GLN 81 Cb 0.63 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 1adn n GLN 81 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1adn n HIS 82 N -4.41 -0.33 -3.64 1.08 -0.00 -1.26 -5.00 115.22 101.67 1adn n HIS 82 Ca 0.05 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.17 1adn n HIS 82 Cb 0.38 -2.87 -0.07 0.00 -0.12 0.00 0.00 29.99 27.32 1adn n HIS 82 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1adn s ARG 83 N -3.94 0.63 -0.04 1.57 3.52 -1.26 -5.09 118.95 114.34 1adn s ARG 83 Ca 0.00 1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 56.64 1adn s ARG 83 Cb 0.00 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1adn s ARG 83 CO 0.00 -0.12 0.00 1.28 -0.81 0.00 0.00 175.30 175.65 1adn n LEU 84 N 3.93 -2.82 -0.79 -0.88 4.77 -1.26 -5.02 117.00 114.94 1adn n LEU 84 Ca -0.19 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1adn n LEU 84 Cb 0.58 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.34 1adn n LEU 84 CO -0.00 -0.45 0.23 -0.67 -1.33 0.00 0.00 177.39 175.17 1adn n ASP 85 N 0.10 0.02 -3.90 -1.43 2.03 -1.26 -5.04 116.55 107.07 1adn n ASP 85 Ca -0.00 -1.71 -0.36 0.00 0.52 0.00 0.00 54.79 53.24 1adn n ASP 85 Cb 0.01 -0.07 -0.04 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.10 3.29 -0.03 -0.67 5.02 -1.26 -4.73 118.16 119.88 1adn n LYS 86 Ca -0.04 -4.56 0.04 0.00 -2.02 0.00 0.00 58.31 51.73 1adn n LYS 86 Cb 0.73 -2.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.21 1adn n LYS 86 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1adn n ILE 87 N 1.59 0.29 -3.75 -0.18 -5.35 -1.26 -4.88 119.36 105.82 1adn n ILE 87 Ca 0.26 -0.44 -0.30 0.00 -0.27 0.00 0.00 62.75 62.00 1adn n ILE 87 Cb 0.37 -0.08 -0.15 0.00 -1.74 0.00 0.00 39.64 38.04 1adn n ILE 87 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1adn s THR 88 N -2.89 0.91 -1.09 7.28 2.01 -1.26 -5.06 115.64 115.53 1adn s THR 88 Ca -0.06 -1.31 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 1adn s THR 88 Cb 0.09 -1.62 0.30 0.00 0.01 0.00 0.00 72.50 71.27 1adn s THR 88 CO 0.65 -0.58 1.43 1.57 -0.69 0.00 0.00 174.62 177.00 1adn n HIS 89 N 4.85 2.74 -3.18 4.92 -0.00 -1.26 -4.87 115.22 118.42 1adn n HIS 89 Ca -0.03 -2.79 0.02 0.00 0.46 0.00 0.00 57.72 55.38 1adn n HIS 89 Cb 0.43 -1.34 -0.01 0.00 -0.12 0.00 0.00 29.99 28.95 1adn n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1adn s ALA 90 N -2.52 -2.49 0.00 1.57 0.00 -1.26 -5.10 121.76 111.97 1adn s ALA 90 Ca 0.31 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1adn s ALA 90 Cb 0.03 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1adn s ALA 90 CO 0.08 -2.12 0.00 0.00 0.00 0.00 0.00 175.76 173.72