#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 1.23 -0.07 3.17 5.02 -1.26 -4.80 118.16 121.45 1adn n LYS 2 Ca 0.00 -2.90 -0.04 0.00 -2.02 0.00 0.00 58.31 53.35 1adn n LYS 2 Cb 0.00 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1adn n LYS 2 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1adn h LYS 3 N 0.80 0.00 -5.97 1.97 3.64 -2.12 -3.44 116.57 111.44 1adn h LYS 3 Ca -0.04 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.89 1adn h LYS 3 Cb 1.15 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1adn h LYS 3 CO 0.02 0.00 1.14 0.00 -2.27 0.00 0.00 179.45 178.34 1adn s ALA 4 N -2.70 2.16 -0.07 5.00 0.00 -1.26 -4.79 121.76 120.10 1adn s ALA 4 Ca -0.12 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 1adn s ALA 4 Cb 0.02 -4.40 -0.03 0.00 0.00 0.00 0.00 23.12 18.71 1adn s ALA 4 CO 0.18 -4.05 -0.17 0.25 0.00 0.00 0.00 175.76 171.98 1adn n THR 5 N 7.25 0.92 -2.80 0.00 -2.24 -1.26 -4.96 114.28 111.18 1adn n THR 5 Ca 0.25 0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.88 1adn n THR 5 Cb 0.50 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 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 5.19 0.00 0.00 0.00 4.77 -1.26 -5.13 117.00 120.57 1adn n LEU 7 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1adn n LEU 7 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1adn n LEU 7 CO 0.50 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.97 1adn n THR 8 N 0.00 0.00 0.16 -5.08 -1.04 -1.26 -4.95 114.28 102.11 1adn n THR 8 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1adn n THR 8 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 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 0.00 0.00 0.36 8.00 3.04 -2.00 -1.94 116.42 123.88 1adn h ASP 9 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 1adn h ASP 9 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1adn h ASP 9 CO 0.00 0.41 -0.17 0.44 -2.04 0.00 0.00 179.24 177.88 1adn h ASP 10 N 0.00 -0.41 -1.00 4.15 3.32 -2.00 -2.83 116.42 117.65 1adn h ASP 10 Ca -0.00 0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.30 1adn h ASP 10 Cb 1.22 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.76 1adn h ASP 10 CO 0.05 -0.11 0.58 0.06 -1.72 0.00 0.00 179.24 178.11 1adn h GLN 11 N -0.85 0.57 0.00 3.56 3.07 -1.93 0.36 115.11 119.89 1adn h GLN 11 Ca -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1adn h GLN 11 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1adn h GLN 11 CO 0.08 0.38 0.00 0.54 0.09 0.00 0.00 178.83 179.92 1adn n ARG 12 N -4.88 0.00 0.12 0.06 5.12 -0.73 -0.18 116.66 116.17 1adn n ARG 12 Ca 0.26 0.40 -0.03 0.00 -1.93 0.00 0.00 57.85 56.56 1adn n ARG 12 Cb 0.72 -1.12 0.13 0.00 -1.16 0.00 0.00 32.46 31.04 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 0.07 -0.84 -1.55 2.91 -1.31 0.14 115.95 115.37 1adn h TRP 13 Ca 0.00 -0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.15 1adn h TRP 13 Cb 0.00 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 1adn h TRP 13 CO -0.10 0.69 0.55 0.37 -1.03 0.00 0.00 178.44 178.92 1adn h GLN 14 N 0.04 0.50 -0.78 2.65 4.15 -0.36 0.52 115.11 121.83 1adn h GLN 14 Ca -0.01 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1adn h GLN 14 Cb 1.16 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.69 1adn h GLN 14 CO 0.09 0.33 0.48 0.77 -1.93 0.00 0.00 178.83 178.56 1adn h SER 15 N 0.51 0.75 -0.07 -0.69 0.02 0.15 0.77 113.55 115.00 1adn h SER 15 Ca 0.43 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1adn h SER 15 Cb 0.89 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1adn h SER 15 CO -0.17 0.49 -0.18 0.58 -1.14 0.00 0.00 176.83 176.41 1adn h VAL 16 N 0.88 0.55 -0.38 2.27 2.07 0.22 -0.84 116.25 121.02 1adn h VAL 16 Ca 0.34 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.94 1adn h VAL 16 Cb 0.14 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 1adn h VAL 16 CO -0.16 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.24 1adn h LEU 17 N -0.26 -0.43 -1.49 2.57 3.38 -0.52 -2.58 115.31 115.98 1adn h LEU 17 Ca 0.08 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1adn h LEU 17 Cb 0.37 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1adn h LEU 17 CO -0.22 -0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.16 1adn n ALA 18 N -2.73 2.72 -0.13 1.53 0.00 0.22 -4.96 120.51 117.17 1adn n ALA 18 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1adn n ALA 18 Cb 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.30 -0.02 -3.08 0.00 0.00 -0.34 -4.84 116.66 108.69 1adn n ARG 19 Ca 0.10 -0.01 -0.39 0.00 -0.00 0.00 0.00 57.85 57.55 1adn n ARG 19 Cb 0.42 0.02 -0.06 0.00 -0.00 0.00 0.00 32.46 32.84 1adn n ARG 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1adn s ASP 20 N -0.14 7.21 0.63 2.89 2.15 -1.24 -4.99 116.67 123.18 1adn s ASP 20 Ca 0.00 1.43 0.28 0.00 0.43 0.00 0.00 52.55 54.70 1adn s ASP 20 Cb 0.00 -2.44 1.51 0.00 -0.30 0.00 0.00 42.92 41.69 1adn s ASP 20 CO 0.00 0.15 1.88 -0.65 -0.17 0.00 0.00 175.17 176.38 1adn h PRO 21 N 4.95 0.00 -0.09 4.34 0.11 -1.97 -3.14 132.00 136.20 1adn h PRO 21 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1adn h PRO 21 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1adn h PRO 21 CO 0.67 0.00 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.23 1adn h ASN 22 N 0.00 0.38 -0.38 -2.05 -1.24 -1.99 -3.35 115.58 106.95 1adn h ASN 22 Ca 0.09 -0.60 0.00 0.00 0.71 0.00 0.00 56.30 56.50 1adn h ASN 22 Cb 0.93 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.87 1adn h ASN 22 CO -0.00 0.92 0.00 0.00 -1.29 0.00 0.00 177.43 177.06 1adn n ALA 23 N -2.48 2.23 -0.61 1.57 0.00 -1.20 -4.71 120.51 115.32 1adn n ALA 23 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1adn n ALA 23 Cb 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 0.57 0.00 0.00 0.00 8.00 -1.19 -2.35 116.55 121.58 1adn n ASP 24 Ca 0.13 0.69 0.08 0.00 0.71 0.00 0.00 54.79 56.40 1adn n ASP 24 Cb 0.46 -0.19 0.45 0.00 -0.02 0.00 0.00 41.12 41.82 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 -0.88 -0.85 0.01 0.44 0.00 -1.26 -2.61 105.19 100.04 1adn n GLY 25 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.78 0.03 -3.55 1.61 0.00 -0.99 -4.93 120.64 112.02 1adn n GLU 26 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 57.16 57.19 1adn n GLU 26 Cb 0.05 -1.53 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1adn s PHE 27 N -3.01 -0.39 0.40 4.31 -0.71 -1.07 -4.70 117.98 112.80 1adn s PHE 27 Ca 0.13 0.57 0.08 0.00 -1.04 0.00 0.00 56.93 56.66 1adn s PHE 27 Cb 0.18 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1adn s PHE 27 CO 0.58 -0.43 0.43 0.08 -1.34 0.00 0.00 175.22 174.54 1adn s VAL 28 N -1.69 3.01 0.00 -2.49 1.01 0.16 -4.39 120.40 116.02 1adn s VAL 28 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1adn s VAL 28 Cb -0.01 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1adn s VAL 28 CO -0.00 -0.04 -0.00 0.72 0.00 0.00 0.00 175.10 175.77 1adn s PHE 29 N -2.39 0.03 -0.33 5.22 -0.12 -0.29 -1.73 117.98 118.37 1adn s PHE 29 Ca 0.49 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.33 1adn s PHE 29 Cb -0.06 -0.02 0.10 0.00 -0.63 0.00 0.00 43.02 42.41 1adn s PHE 29 CO 0.29 -0.01 0.11 0.00 -0.05 0.00 0.00 175.22 175.56 1adn s ALA 30 N -0.10 1.88 -0.73 1.99 0.00 0.49 -0.43 121.76 124.85 1adn s ALA 30 Ca -0.01 -1.96 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 1adn s ALA 30 Cb -0.01 -1.72 0.09 0.00 0.00 0.00 0.00 23.12 21.47 1adn s ALA 30 CO -0.00 -1.73 1.00 0.54 0.00 0.00 0.00 175.76 175.58 1adn s VAL 31 N 1.31 4.44 -1.24 0.00 0.11 -0.85 0.38 120.40 124.54 1adn s VAL 31 Ca 0.11 -0.70 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 1adn s VAL 31 Cb -0.19 -4.71 0.14 0.00 -1.53 0.00 0.00 36.38 30.09 1adn s VAL 31 CO -0.19 -1.47 1.54 -2.11 -3.33 0.00 0.00 175.10 169.55 1adn n ARG 32 N 7.39 3.31 0.04 1.54 -4.01 -1.08 -3.47 116.66 120.38 1adn n ARG 32 Ca 0.03 -3.65 0.00 0.00 -1.04 0.00 0.00 57.85 53.19 1adn n ARG 32 Cb 0.46 -3.20 0.00 0.00 -3.04 0.00 0.00 32.46 26.69 1adn n ARG 32 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1adn n THR 33 N 5.20 0.11 0.48 8.89 -1.04 -1.26 -4.86 114.28 121.80 1adn n THR 33 Ca 0.41 0.04 0.11 0.00 -2.04 0.00 0.00 64.05 62.56 1adn n THR 33 Cb 0.44 -0.79 -0.09 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 -2.91 0.07 -0.55 12.58 -1.04 -1.26 -5.06 114.28 116.10 1adn n THR 34 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1adn n THR 34 Cb 0.09 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 1.37 0.60 2.90 3.41 0.00 -1.25 -5.12 105.19 107.10 1adn n GLY 35 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.37 0.42 -0.30 -0.61 -4.36 -1.23 -4.22 121.20 108.54 1adn s ILE 36 Ca 0.00 -0.11 -0.02 0.00 -0.26 0.00 0.00 60.65 60.26 1adn s ILE 36 Cb 0.00 -0.43 0.05 0.00 1.25 0.00 0.00 42.46 43.33 1adn s ILE 36 CO 0.00 0.17 0.00 0.72 0.24 0.00 0.00 174.94 176.08 1adn s PHE 37 N 0.62 3.25 0.25 1.37 -0.12 0.22 -2.01 117.98 121.56 1adn s PHE 37 Ca -0.07 -1.81 0.08 0.00 -0.05 0.00 0.00 56.93 55.07 1adn s PHE 37 Cb -0.11 -2.12 -0.05 0.00 -0.63 0.00 0.00 43.02 40.11 1adn s PHE 37 CO -0.00 -0.79 -0.11 0.00 -0.05 0.00 0.00 175.22 174.27 1adn s ARG 39 N -3.67 3.80 0.00 0.00 3.03 -1.06 -1.14 118.95 119.90 1adn s ARG 39 Ca 0.27 1.38 0.00 0.00 2.03 0.00 0.00 55.73 59.41 1adn s ARG 39 Cb 0.01 -3.98 0.00 0.00 -1.03 0.00 0.00 34.95 29.95 1adn s ARG 39 CO 0.10 -1.28 0.00 -2.30 -1.13 0.00 0.00 175.30 170.69 1adn n PRO 40 N 7.60 0.00 0.00 3.89 -0.02 -1.26 -4.78 135.00 140.43 1adn n PRO 40 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1adn n PRO 40 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 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 -3.80 2.55 2.88 -1.26 -4.64 113.62 109.35 1adn n SER 41 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1adn n SER 41 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1adn n ARG 43 N 4.30 0.22 -0.39 0.00 1.74 -1.26 -4.32 116.66 116.95 1adn n ARG 43 Ca -0.24 0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 57.11 1adn n ARG 43 Cb 0.50 -1.88 0.11 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.79 -1.52 -1.52 7.54 0.00 -1.26 -4.81 120.51 117.16 1adn n ALA 44 Ca 0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 1adn n ALA 44 Cb 0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 1adn n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1adn n ARG 45 N -2.98 0.22 -1.39 0.00 5.12 -1.26 -4.71 116.66 111.66 1adn n ARG 45 Ca 0.06 -0.13 -0.58 0.00 -1.93 0.00 0.00 57.85 55.27 1adn n ARG 45 Cb 0.24 -1.91 -0.10 0.00 -1.16 0.00 0.00 32.46 29.53 1adn n ARG 45 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1adn n HIS 46 N 10.60 1.42 -0.79 -1.55 -0.00 -1.26 -4.69 115.22 118.94 1adn n HIS 46 Ca 0.60 0.65 -0.36 0.00 0.46 0.00 0.00 57.72 59.07 1adn n HIS 46 Cb 0.20 -2.36 -0.08 0.00 -0.12 0.00 0.00 29.99 27.63 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1adn n ALA 47 N 7.62 0.14 -1.62 1.57 0.00 -1.26 -4.86 120.51 122.10 1adn n ALA 47 Ca 0.46 0.09 -0.45 0.00 0.00 0.00 0.00 53.44 53.55 1adn n ALA 47 Cb 0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1adn n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1adn n LEU 48 N 4.84 2.27 0.00 0.00 -0.00 -1.26 -4.90 117.00 117.95 1adn n LEU 48 Ca 0.35 1.17 0.11 0.00 -0.00 0.00 0.00 56.01 57.64 1adn n LEU 48 Cb -0.02 -1.33 0.58 0.00 -0.00 0.00 0.00 43.42 42.65 1adn n LEU 48 CO 0.55 -1.05 0.85 -1.14 -0.00 0.00 0.00 177.39 176.60 1adn n ARG 49 N 1.18 0.41 0.00 1.47 0.63 -1.26 -3.80 116.66 115.29 1adn n ARG 49 Ca 0.10 0.06 0.13 0.00 -0.92 0.00 0.00 57.85 57.23 1adn n ARG 49 Cb 0.31 -1.50 0.53 0.00 0.45 0.00 0.00 32.46 32.25 1adn n ARG 49 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1adn n GLU 50 N -1.22 0.01 -0.31 -0.14 0.28 -1.26 -3.07 120.64 114.93 1adn n GLU 50 Ca 0.12 -0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.15 1adn n GLU 50 Cb 0.15 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.56 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 -1.50 0.78 -4.91 -1.84 6.94 -1.25 -5.13 115.26 108.36 1adn n ASN 51 Ca 0.07 -2.24 -0.31 0.00 -0.02 0.00 0.00 54.58 52.08 1adn n ASN 51 Cb 0.34 -0.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 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 -0.90 5.25 -0.02 3.53 0.11 -1.18 -2.64 120.40 124.56 1adn s VAL 52 Ca 0.09 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1adn s VAL 52 Cb 0.08 -3.64 -0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1adn s VAL 52 CO 0.01 0.06 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.19 1adn s SER 53 N -2.53 1.16 -0.12 3.54 0.15 0.16 -4.86 113.70 111.19 1adn s SER 53 Ca 0.39 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 1adn s SER 53 Cb -0.12 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1adn s SER 53 CO 0.26 0.08 0.02 -0.36 1.20 0.00 0.00 173.24 174.44 1adn s PHE 54 N 0.04 3.18 0.34 3.44 0.08 -1.26 0.18 117.98 123.98 1adn s PHE 54 Ca -0.01 0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.20 1adn s PHE 54 Cb -0.07 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.43 1adn s PHE 54 CO 0.00 0.32 -0.01 0.71 -0.10 0.00 0.00 175.22 176.15 1adn s TYR 55 N -0.39 2.18 -0.09 0.36 1.51 -0.70 -4.97 117.35 115.24 1adn s TYR 55 Ca 0.08 -0.74 0.14 0.00 -1.01 0.00 0.00 57.07 55.54 1adn s TYR 55 Cb -0.12 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1adn s TYR 55 CO 0.02 0.29 1.25 0.00 -1.11 0.00 0.00 175.55 176.00 1adn h ALA 56 N 2.05 0.61 -2.50 3.71 0.00 -1.87 0.47 119.26 121.72 1adn h ALA 56 Ca -0.42 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 53.73 1adn h ALA 56 Cb 1.24 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1adn h ALA 56 CO 0.72 0.85 -0.44 1.21 0.00 0.00 0.00 179.25 181.59 1adn s ASN 57 N -6.35 0.15 0.38 0.00 3.04 -1.26 -3.23 114.94 107.66 1adn s ASN 57 Ca 0.02 -0.60 0.28 0.00 0.04 0.00 0.00 52.86 52.59 1adn s ASN 57 Cb 0.08 0.29 1.25 0.00 -1.54 0.00 0.00 41.25 41.34 1adn s ASN 57 CO 0.78 -0.64 1.83 0.00 -3.04 0.00 0.00 177.10 176.03 1adn h ALA 58 N 3.11 1.00 -0.61 1.71 0.00 -1.94 -2.00 119.26 120.53 1adn h ALA 58 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1adn h ALA 58 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1adn h ALA 58 CO 0.55 0.00 0.36 1.03 0.00 0.00 0.00 179.25 181.19 1adn h SER 59 N 0.00 0.73 0.29 0.00 0.87 -1.98 0.36 113.55 113.82 1adn h SER 59 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1adn h SER 59 Cb 0.29 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1adn h SER 59 CO 0.00 0.56 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.64 1adn h GLU 60 N 0.84 -0.38 -0.26 2.24 4.57 -1.78 0.16 114.58 119.97 1adn h GLU 60 Ca 0.22 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1adn h GLU 60 Cb -0.02 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1adn h GLU 60 CO -0.04 -0.11 0.24 0.00 -1.18 0.00 0.00 179.01 177.92 1adn h ALA 61 N -0.80 2.03 -0.00 2.92 0.00 -1.56 1.19 119.26 123.02 1adn h ALA 61 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1adn h ALA 61 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1adn h ALA 61 CO 0.07 -0.37 -0.13 1.25 0.00 0.00 0.00 179.25 180.06 1adn h LEU 62 N 0.00 0.13 -1.87 0.00 7.12 -0.35 -2.16 115.31 118.17 1adn h LEU 62 Ca 0.12 -0.76 0.10 0.00 0.13 0.00 0.00 57.88 57.47 1adn h LEU 62 Cb 0.60 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1adn h LEU 62 CO -0.00 0.87 0.48 0.00 -0.13 0.00 0.00 178.44 179.66 1adn h ALA 63 N 0.26 1.98 -0.41 1.25 0.00 0.50 1.43 119.26 124.27 1adn h ALA 63 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1adn h ALA 63 Cb 0.89 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1adn h ALA 63 CO 0.03 -0.66 -0.33 0.00 0.00 0.00 0.00 179.25 178.29 1adn h ALA 64 N 1.36 0.59 0.00 0.00 0.00 0.15 -3.49 119.26 117.87 1adn h ALA 64 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1adn h ALA 64 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 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 0.07 1.94 0.00 0.00 0.00 0.49 -5.09 105.19 102.60 1adn n GLY 65 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.69 -2.76 -3.25 1.61 7.35 -0.85 -5.04 117.46 113.83 1adn n PHE 66 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1adn n PHE 66 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 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 -1.56 3.11 -0.43 -4.13 3.00 -1.26 -4.86 118.95 112.82 1adn s ARG 67 Ca 0.00 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.73 53.61 1adn s ARG 67 Cb 0.00 -4.03 -0.08 0.00 0.00 0.00 0.00 34.95 30.84 1adn s ARG 67 CO 0.00 -1.01 2.35 -0.35 0.00 0.00 0.00 175.30 176.29 1adn n PRO 68 N 5.80 1.24 -3.80 5.12 -0.04 -1.26 -0.61 135.00 141.45 1adn n PRO 68 Ca -0.07 0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 1adn n PRO 68 Cb 0.46 -3.07 -0.12 0.00 -0.04 0.00 0.00 33.50 30.74 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 4.57 0.00 0.00 0.00 0.00 -1.26 -2.57 118.16 118.90 1adn n LYS 70 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1adn n LYS 70 Cb 0.41 -0.08 0.00 0.00 -0.00 0.00 0.00 35.03 35.36 1adn n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1adn n ARG 71 N -0.36 0.00 0.00 -1.58 0.63 -1.26 -4.63 116.66 109.47 1adn n ARG 71 Ca 0.00 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1adn n ARG 71 Cb 0.00 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.47 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 -5.02 117.38 111.04 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 -1.04 0.00 0.00 -4.06 0.00 0.00 30.24 25.14 1adn n GLN 73 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1adn n PRO 74 N 1.04 0.15 0.00 3.69 -0.04 -1.26 -5.05 135.00 133.53 1adn n PRO 74 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1adn n PRO 74 Cb 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 1adn n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1adn n ASP 75 N -1.90 0.00 0.00 3.54 -0.08 -1.26 -5.06 116.55 111.78 1adn n ASP 75 Ca 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1adn n ASP 75 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1adn n ASP 75 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1adn n LYS 76 N -0.08 0.00 0.00 -0.67 4.81 -1.26 -5.11 118.16 115.85 1adn n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1adn n LYS 76 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1adn n ALA 77 N -3.00 0.00 -1.69 3.14 0.00 -1.26 -4.96 120.51 112.74 1adn n ALA 77 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1adn n ALA 77 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1adn n ALA 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1adn n ASN 78 N -0.83 6.13 -4.57 0.00 0.23 -1.26 -4.91 115.26 110.06 1adn n ASN 78 Ca 0.00 -3.77 -0.41 0.00 -0.53 0.00 0.00 54.58 49.87 1adn n ASN 78 Cb 0.00 -0.64 -0.07 0.00 -2.08 0.00 0.00 39.78 36.99 1adn n ASN 78 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1adn s PRO 79 N -3.70 3.67 -0.77 -0.53 0.04 -1.26 -5.02 135.00 127.44 1adn s PRO 79 Ca 0.57 -0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.53 1adn s PRO 79 Cb 0.46 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1adn s PRO 79 CO 0.02 -0.67 2.96 -2.13 0.04 0.00 0.00 177.00 177.21 1adn n ARG 80 N 5.88 3.08 -1.38 4.56 0.63 -1.26 -4.99 116.66 123.18 1adn n ARG 80 Ca -0.03 -2.21 -0.51 0.00 -0.92 0.00 0.00 57.85 54.18 1adn n ARG 80 Cb 0.49 -2.35 -0.12 0.00 0.45 0.00 0.00 32.46 30.92 1adn n ARG 80 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1adn n GLN 81 N 2.07 0.20 0.00 -0.14 1.13 -1.26 -4.18 117.38 115.20 1adn n GLN 81 Ca 0.57 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1adn n GLN 81 Cb 0.51 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1adn n GLN 81 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1adn n HIS 82 N 9.35 -0.16 -3.23 1.08 8.25 -1.26 -5.15 115.22 124.10 1adn n HIS 82 Ca 0.56 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 58.06 1adn n HIS 82 Cb 0.05 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1adn n HIS 82 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1adn s ARG 83 N -0.47 0.21 0.03 -0.41 3.52 -1.26 -5.20 118.95 115.37 1adn s ARG 83 Ca 0.00 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1adn s ARG 83 Cb 0.00 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1adn s ARG 83 CO 0.00 -0.17 -0.06 -0.48 -0.81 0.00 0.00 175.30 173.78 1adn s LEU 84 N 2.69 2.22 -0.12 -0.88 0.05 -1.26 -5.17 118.68 116.22 1adn s LEU 84 Ca -0.00 -0.48 -0.15 0.00 0.05 0.00 0.00 54.13 53.54 1adn s LEU 84 Cb -0.08 -0.09 0.04 0.00 -2.05 0.00 0.00 46.19 44.01 1adn s LEU 84 CO -0.14 -0.21 0.40 -0.62 -0.55 0.00 0.00 176.35 175.24 1adn s ASP 85 N -1.38 -0.39 -0.32 1.48 -1.08 -1.26 -5.16 116.67 108.56 1adn s ASP 85 Ca -0.11 0.66 0.01 0.00 -0.52 0.00 0.00 52.55 52.59 1adn s ASP 85 Cb -0.09 0.71 0.10 0.00 -1.46 0.00 0.00 42.92 42.17 1adn s ASP 85 CO -0.00 -0.24 0.07 -0.54 0.52 0.00 0.00 175.17 174.98 1adn s LYS 86 N -0.20 1.09 0.00 4.34 1.02 -1.26 -4.91 119.74 119.82 1adn s LYS 86 Ca -0.04 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1adn s LYS 86 Cb -0.03 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1adn s LYS 86 CO 0.02 -0.94 0.00 -0.89 -0.92 0.00 0.00 175.35 172.62 1adn n ILE 87 N 4.59 0.00 -4.03 2.17 5.41 -1.26 -5.12 119.36 121.12 1adn n ILE 87 Ca -0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 1adn n ILE 87 Cb 0.42 -0.85 -0.05 0.00 -0.71 0.00 0.00 39.64 38.45 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 -1.94 2.14 -0.08 1.39 -4.23 -1.26 -5.09 115.64 106.58 1adn s THR 88 Ca 0.00 -1.61 0.20 0.00 -1.18 0.00 0.00 61.69 59.10 1adn s THR 88 Cb 0.00 -2.75 -0.31 0.00 1.34 0.00 0.00 72.50 70.78 1adn s THR 88 CO 0.00 0.00 0.46 1.57 -0.54 0.00 0.00 174.62 176.11 1adn n HIS 89 N -1.41 0.00 -2.40 3.99 -0.00 -1.26 -4.95 115.22 109.19 1adn n HIS 89 Ca -0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.75 1adn n HIS 89 Cb 0.64 -0.43 -0.03 0.00 -0.12 0.00 0.00 29.99 30.05 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 -3.36 3.41 -0.30 1.57 0.00 -1.26 -5.05 121.76 116.77 1adn s ALA 90 Ca -0.06 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1adn s ALA 90 Cb 0.13 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.95 1adn s ALA 90 CO 0.83 -0.41 0.28 0.00 0.00 0.00 0.00 175.76 176.46