#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 -1.52 -3.77 2.12 4.81 -1.26 -4.84 118.16 113.69 1adn n LYS 2 Ca 0.00 1.00 -0.30 0.00 -0.87 0.00 0.00 58.31 58.14 1adn n LYS 2 Cb 0.00 -1.86 -0.15 0.00 0.02 0.00 0.00 35.03 33.05 1adn n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1adn s LYS 3 N -1.50 0.91 0.13 1.64 3.01 -1.26 -4.99 119.74 117.69 1adn s LYS 3 Ca 0.00 -1.34 -0.05 0.00 -1.01 0.00 0.00 55.97 53.57 1adn s LYS 3 Cb 0.00 -2.23 -0.08 0.00 -1.01 0.00 0.00 37.83 34.51 1adn s LYS 3 CO 0.00 -1.01 1.32 0.00 0.51 0.00 0.00 175.35 176.17 1adn h ALA 4 N 7.81 0.38 0.00 5.17 0.00 -2.05 -3.48 119.26 127.10 1adn h ALA 4 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1adn h ALA 4 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1adn h ALA 4 CO 0.48 0.78 0.00 -2.37 0.00 0.00 0.00 179.25 178.14 1adn n THR 5 N -3.79 0.00 1.72 0.00 5.66 -1.26 -4.87 114.28 111.73 1adn n THR 5 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1adn n THR 5 Cb 0.80 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.60 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 -0.32 7.33 -3.88 0.00 4.32 -1.26 -4.73 117.00 118.46 1adn n LEU 7 Ca 0.01 -4.55 -0.16 0.00 -0.02 0.00 0.00 56.01 51.29 1adn n LEU 7 Cb 0.08 -1.50 -0.15 0.00 -1.62 0.00 0.00 43.42 40.22 1adn n LEU 7 CO 0.01 1.58 -0.38 0.42 -1.22 0.00 0.00 177.39 177.80 1adn s THR 8 N 0.89 0.25 0.55 -5.08 -4.23 -1.26 -5.03 115.64 101.73 1adn s THR 8 Ca 0.49 -0.04 0.29 0.00 -1.18 0.00 0.00 61.69 61.25 1adn s THR 8 Cb 0.14 -0.28 0.34 0.00 1.34 0.00 0.00 72.50 74.04 1adn s THR 8 CO -0.05 0.12 2.21 -0.78 -0.54 0.00 0.00 174.62 175.59 1adn h ASP 9 N 6.70 0.00 0.08 3.99 1.82 -1.98 -1.64 116.42 125.39 1adn h ASP 9 Ca -0.35 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.16 1adn h ASP 9 Cb 1.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.19 1adn h ASP 9 CO 0.49 0.03 -0.56 -0.78 -1.61 0.00 0.00 179.24 176.81 1adn h ASP 10 N 0.00 0.35 -0.09 2.28 3.58 -1.98 -2.84 116.42 117.72 1adn h ASP 10 Ca -0.00 -0.93 -0.14 0.00 0.42 0.00 0.00 57.03 56.38 1adn h ASP 10 Cb 0.08 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.03 1adn h ASP 10 CO 0.00 1.25 -0.50 -0.61 -2.88 0.00 0.00 179.24 176.50 1adn h GLN 11 N -0.50 0.50 0.00 0.28 5.75 -1.92 0.70 115.11 119.92 1adn h GLN 11 Ca -0.09 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1adn h GLN 11 Cb 1.41 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.05 1adn h GLN 11 CO 0.11 1.05 0.00 0.54 -2.65 0.00 0.00 178.83 177.88 1adn n ARG 12 N -4.24 0.00 0.16 1.69 1.74 -0.62 -0.43 116.66 114.95 1adn n ARG 12 Ca -0.08 0.95 0.02 0.00 -0.77 0.00 0.00 57.85 57.97 1adn n ARG 12 Cb 0.60 -1.46 0.25 0.00 -1.02 0.00 0.00 32.46 30.83 1adn n ARG 12 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1adn h TRP 13 N 0.00 0.00 -0.81 -1.55 2.91 -1.59 0.28 115.95 115.19 1adn h TRP 13 Ca 0.00 0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.16 1adn h TRP 13 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1adn h TRP 13 CO -0.84 0.50 0.53 0.37 -1.03 0.00 0.00 178.44 177.98 1adn h GLN 14 N 0.00 0.53 -0.90 2.65 4.15 -0.67 0.65 115.11 121.52 1adn h GLN 14 Ca -0.01 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1adn h GLN 14 Cb 1.00 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.51 1adn h GLN 14 CO 0.07 0.35 0.57 1.03 -1.93 0.00 0.00 178.83 178.92 1adn h SER 15 N 0.55 0.93 -0.05 -0.69 0.87 0.14 0.30 113.55 115.60 1adn h SER 15 Ca 0.40 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1adn h SER 15 Cb 0.77 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1adn h SER 15 CO -0.15 0.62 0.01 0.58 -0.53 0.00 0.00 176.83 177.35 1adn h VAL 16 N 1.08 0.98 -0.29 2.23 2.07 0.39 0.81 116.25 123.51 1adn h VAL 16 Ca 0.37 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.95 1adn h VAL 16 Cb 0.08 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1adn h VAL 16 CO -0.14 0.01 -0.28 -0.07 0.02 0.00 0.00 177.57 177.10 1adn h LEU 17 N 0.04 -0.91 -2.05 2.57 3.38 -0.26 -2.28 115.31 115.79 1adn h LEU 17 Ca 0.02 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1adn h LEU 17 Cb 0.01 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1adn h LEU 17 CO -0.03 -0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.20 1adn n ALA 18 N -2.89 3.03 -0.44 1.53 0.00 0.06 -4.94 120.51 116.87 1adn n ALA 18 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1adn n ALA 18 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.35 -0.18 -3.20 0.00 0.00 0.25 -4.88 116.66 109.00 1adn n ARG 19 Ca 0.13 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.59 1adn n ARG 19 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 33.03 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 -0.51 6.77 -0.11 2.89 2.15 -1.02 -5.01 116.67 121.83 1adn s ASP 20 Ca 0.00 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1adn s ASP 20 Cb 0.00 -2.33 0.11 0.00 -0.30 0.00 0.00 42.92 40.40 1adn s ASP 20 CO 0.00 -0.09 1.56 -0.81 -0.17 0.00 0.00 175.17 175.66 1adn n PRO 21 N 3.99 1.29 -0.10 4.34 -0.04 -1.26 -4.44 135.00 138.78 1adn n PRO 21 Ca -0.04 -0.62 -0.19 0.00 -0.04 0.00 0.00 63.50 62.60 1adn n PRO 21 Cb 0.51 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.66 0.00 0.00 3.54 -1.24 -1.95 -3.45 115.58 113.15 1adn h ASN 22 Ca 0.12 -0.48 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1adn h ASN 22 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1adn h ASN 22 CO 0.27 1.36 0.00 0.00 -1.29 0.00 0.00 177.43 177.76 1adn n ALA 23 N -3.37 -0.02 -2.81 1.57 0.00 -1.26 -4.77 120.51 109.85 1adn n ALA 23 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1adn n ALA 23 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 1adn n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1adn s ASP 24 N -1.64 6.17 0.05 0.00 1.01 -1.26 -4.95 116.67 116.06 1adn s ASP 24 Ca 0.00 -0.91 -0.04 0.00 0.71 0.00 0.00 52.55 52.31 1adn s ASP 24 Cb 0.00 -2.44 0.04 0.00 1.01 0.00 0.00 42.92 41.53 1adn s ASP 24 CO 0.00 -1.51 0.35 0.61 0.21 0.00 0.00 175.17 174.83 1adn n GLY 25 N 5.34 -0.48 2.69 0.21 0.00 -1.26 -2.63 105.19 109.06 1adn n GLY 25 Ca -0.02 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.32 1.37 -1.50 1.61 2.13 -1.26 -4.94 120.64 113.73 1adn n GLU 26 Ca 0.02 -1.59 -0.34 0.00 0.66 0.00 0.00 57.16 55.91 1adn n GLU 26 Cb 0.08 0.11 0.08 0.00 0.27 0.00 0.00 31.44 31.98 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 -0.34 2.14 0.28 4.31 -0.71 -1.08 -4.67 117.98 117.91 1adn s PHE 27 Ca 0.13 1.59 0.07 0.00 -1.04 0.00 0.00 56.93 57.69 1adn s PHE 27 Cb 0.43 -3.43 -0.03 0.00 -1.21 0.00 0.00 43.02 38.77 1adn s PHE 27 CO -0.11 -2.47 0.23 0.14 -1.34 0.00 0.00 175.22 171.67 1adn s VAL 28 N -2.01 4.19 -0.02 -2.49 -7.23 0.16 -4.35 120.40 108.66 1adn s VAL 28 Ca 0.73 -1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1adn s VAL 28 Cb -0.28 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.33 1adn s VAL 28 CO 0.44 -0.29 0.03 0.72 -0.31 0.00 0.00 175.10 175.69 1adn s PHE 29 N -2.18 -0.00 -0.30 2.82 -0.12 -0.45 -0.68 117.98 117.06 1adn s PHE 29 Ca 0.35 0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.38 1adn s PHE 29 Cb -0.07 -0.14 0.09 0.00 -0.63 0.00 0.00 43.02 42.26 1adn s PHE 29 CO 0.26 -0.07 0.03 0.00 -0.05 0.00 0.00 175.22 175.39 1adn s ALA 30 N 0.71 2.29 -0.65 1.99 0.00 0.37 -0.86 121.76 125.61 1adn s ALA 30 Ca -0.06 -1.98 -0.22 0.00 0.00 0.00 0.00 51.96 49.70 1adn s ALA 30 Cb -0.08 -1.73 0.07 0.00 0.00 0.00 0.00 23.12 21.38 1adn s ALA 30 CO -0.02 -1.54 0.93 0.54 0.00 0.00 0.00 175.76 175.67 1adn s VAL 31 N 1.22 4.39 -1.30 0.00 0.11 -0.90 0.10 120.40 124.02 1adn s VAL 31 Ca 0.06 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1adn s VAL 31 Cb -0.19 -4.65 0.07 0.00 -1.53 0.00 0.00 36.38 30.08 1adn s VAL 31 CO -0.12 -1.40 2.54 -1.14 -3.33 0.00 0.00 175.10 171.65 1adn n ARG 32 N 7.53 4.26 0.00 1.54 0.63 -1.08 -3.23 116.66 126.31 1adn n ARG 32 Ca -0.04 -3.12 0.00 0.00 -0.92 0.00 0.00 57.85 53.77 1adn n ARG 32 Cb 0.45 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1adn n THR 33 N 2.01 0.00 0.08 5.15 5.66 -1.26 -4.82 114.28 121.11 1adn n THR 33 Ca 0.64 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.75 1adn n THR 33 Cb 0.27 -0.96 -0.16 0.00 -1.55 0.00 0.00 70.33 67.93 1adn n THR 33 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1adn n THR 34 N -2.71 0.00 -0.53 1.09 -1.04 -1.26 -5.07 114.28 104.76 1adn n THR 34 Ca 0.00 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1adn n THR 34 Cb 0.47 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 1.30 0.84 2.91 3.41 0.00 -1.20 -5.15 105.19 107.31 1adn n GLY 35 Ca -0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.35 0.48 -0.26 -0.61 -4.36 -1.20 -4.41 121.20 108.49 1adn s ILE 36 Ca 0.00 -0.15 -0.03 0.00 -0.26 0.00 0.00 60.65 60.21 1adn s ILE 36 Cb 0.00 -0.48 0.02 0.00 1.25 0.00 0.00 42.46 43.25 1adn s ILE 36 CO 0.00 0.19 -0.02 0.72 0.24 0.00 0.00 174.94 176.06 1adn s PHE 37 N 0.56 3.09 0.12 1.37 -0.12 0.34 -2.13 117.98 121.21 1adn s PHE 37 Ca -0.07 -1.40 0.02 0.00 -0.05 0.00 0.00 56.93 55.43 1adn s PHE 37 Cb -0.10 -2.11 -0.04 0.00 -0.63 0.00 0.00 43.02 40.13 1adn s PHE 37 CO -0.00 -0.69 -0.06 0.00 -0.05 0.00 0.00 175.22 174.42 1adn s ARG 39 N -3.84 3.43 0.00 0.00 3.00 -1.07 -1.34 118.95 119.13 1adn s ARG 39 Ca 0.15 0.76 0.00 0.00 -1.00 0.00 0.00 55.73 55.63 1adn s ARG 39 Cb 0.05 -4.08 0.00 0.00 0.00 0.00 0.00 34.95 30.92 1adn s ARG 39 CO -0.02 -1.76 0.00 -2.30 0.00 0.00 0.00 175.30 171.22 1adn n PRO 40 N 8.35 0.00 0.10 5.12 -0.02 -1.26 -4.59 135.00 142.70 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 0.49 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 -1.13 1.98 0.00 0.00 175.50 176.35 1adn n SER 41 N 0.00 -1.79 -0.02 2.55 3.41 -1.26 -4.66 113.62 111.84 1adn n SER 41 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1adn n SER 41 Cb 0.00 1.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 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 0.00 0.00 -0.25 0.00 1.74 -1.26 -4.24 116.66 112.65 1adn n ARG 43 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1adn n ARG 43 Cb 0.00 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.00 -4.88 -1.53 7.54 0.00 -1.26 -4.68 120.51 115.69 1adn n ALA 44 Ca 0.00 -1.90 -0.21 0.00 0.00 0.00 0.00 53.44 51.34 1adn n ALA 44 Cb 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 -5.56 0.39 0.00 0.00 1.85 -1.26 -4.90 116.66 107.18 1adn n ARG 45 Ca 0.13 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 1adn n ARG 45 Cb 0.58 -2.61 0.00 0.00 -1.05 0.00 0.00 32.46 29.38 1adn n ARG 45 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1adn n HIS 46 N 13.44 -0.95 -2.15 2.89 1.44 -1.26 -5.05 115.22 123.58 1adn n HIS 46 Ca 0.54 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.98 1adn n HIS 46 Cb 0.32 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.48 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1adn s ALA 47 N -2.96 3.08 0.53 1.59 0.00 -1.26 -5.10 121.76 117.62 1adn s ALA 47 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1adn s ALA 47 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1adn s ALA 47 CO 0.00 -1.15 0.92 -0.48 0.00 0.00 0.00 175.76 175.06 1adn s LEU 48 N -5.23 3.52 0.00 0.00 0.05 -1.26 -4.99 118.68 110.77 1adn s LEU 48 Ca 0.58 1.32 0.25 0.00 0.05 0.00 0.00 54.13 56.32 1adn s LEU 48 Cb -0.11 -4.29 1.42 0.00 -2.05 0.00 0.00 46.19 41.17 1adn s LEU 48 CO 0.47 -0.65 1.85 0.54 -0.55 0.00 0.00 176.35 178.01 1adn n ARG 49 N -2.07 0.65 0.18 1.48 3.00 -1.26 -4.07 116.66 114.57 1adn n ARG 49 Ca 0.04 0.02 0.06 0.00 -0.01 0.00 0.00 57.85 57.96 1adn n ARG 49 Cb 0.54 -1.50 0.23 0.00 0.00 0.00 0.00 32.46 31.73 1adn n ARG 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1adn h GLU 50 N 0.00 0.00 0.00 5.56 -0.00 -2.02 -3.28 114.58 114.84 1adn h GLU 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1adn h GLU 50 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1adn h GLU 50 CO 0.00 0.38 -0.22 0.27 -0.00 0.00 0.00 179.01 179.44 1adn n ASN 51 N -3.35 0.97 -4.91 3.06 6.94 -1.26 -5.11 115.26 111.60 1adn n ASN 51 Ca 0.01 -2.23 -0.31 0.00 -0.02 0.00 0.00 54.58 52.02 1adn n ASN 51 Cb 0.59 -0.23 -0.04 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.05 5.29 -0.07 3.53 0.11 -1.24 -2.65 120.40 124.32 1adn s VAL 52 Ca 0.11 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1adn s VAL 52 Cb 0.09 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.33 1adn s VAL 52 CO 0.01 0.09 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.22 1adn s SER 53 N -2.48 1.70 -0.16 3.54 0.15 0.29 -4.84 113.70 111.90 1adn s SER 53 Ca 0.38 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.69 1adn s SER 53 Cb -0.13 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1adn s SER 53 CO 0.26 -0.01 0.07 -0.36 1.20 0.00 0.00 173.24 174.40 1adn s PHE 54 N 0.93 3.31 0.30 3.44 0.40 -1.26 0.14 117.98 125.23 1adn s PHE 54 Ca -0.10 0.18 0.08 0.00 -0.60 0.00 0.00 56.93 56.49 1adn s PHE 54 Cb -0.15 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.29 1adn s PHE 54 CO 0.01 0.30 -0.08 0.71 0.70 0.00 0.00 175.22 176.85 1adn s TYR 55 N -0.00 2.13 0.09 0.36 1.51 0.14 -4.98 117.35 116.60 1adn s TYR 55 Ca 0.07 -0.61 0.10 0.00 -1.01 0.00 0.00 57.07 55.62 1adn s TYR 55 Cb -0.12 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1adn s TYR 55 CO 0.01 0.41 1.38 0.00 -1.11 0.00 0.00 175.55 176.24 1adn h ALA 56 N 2.19 0.54 -2.85 3.71 0.00 -1.93 0.46 119.26 121.37 1adn h ALA 56 Ca -0.41 -0.74 -0.15 0.00 0.00 0.00 0.00 54.91 53.61 1adn h ALA 56 Cb 1.24 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 1adn h ALA 56 CO 0.68 1.02 -0.46 1.21 0.00 0.00 0.00 179.25 181.70 1adn s ASN 57 N -6.66 -0.07 0.41 0.00 3.84 -1.26 -3.59 114.94 107.60 1adn s ASN 57 Ca 0.01 0.01 0.19 0.00 0.21 0.00 0.00 52.86 53.28 1adn s ASN 57 Cb 0.10 0.28 1.13 0.00 -0.55 0.00 0.00 41.25 42.20 1adn s ASN 57 CO 0.79 -0.30 1.78 0.00 -2.79 0.00 0.00 177.10 176.58 1adn h ALA 58 N 4.64 2.27 -0.91 1.71 0.00 -1.93 -2.80 119.26 122.24 1adn h ALA 58 Ca -0.29 0.05 0.23 0.00 0.00 0.00 0.00 54.91 54.91 1adn h ALA 58 Cb 1.19 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1adn h ALA 58 CO 0.40 -0.67 0.02 0.77 0.00 0.00 0.00 179.25 179.77 1adn h SER 59 N 0.37 -0.43 -0.33 0.00 0.02 -1.99 0.48 113.55 111.67 1adn h SER 59 Ca 0.59 0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 61.61 1adn h SER 59 Cb 1.53 0.43 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 1adn h SER 59 CO -0.28 -0.28 -0.48 1.05 -1.14 0.00 0.00 176.83 175.70 1adn h GLU 60 N 0.05 0.91 -0.25 3.45 4.11 -1.91 -0.12 114.58 120.83 1adn h GLU 60 Ca 0.53 -0.54 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1adn h GLU 60 Cb 1.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1adn h GLU 60 CO -0.83 1.18 0.11 0.00 0.07 0.00 0.00 179.01 179.55 1adn h ALA 61 N 0.72 1.73 0.04 1.06 0.00 -0.27 1.47 119.26 124.00 1adn h ALA 61 Ca 0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1adn h ALA 61 Cb 1.09 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1adn h ALA 61 CO 0.11 0.22 -0.86 1.37 0.00 0.00 0.00 179.25 180.10 1adn h LEU 62 N 0.35 0.69 -2.03 0.00 8.10 -0.82 -2.08 115.31 119.52 1adn h LEU 62 Ca 0.09 -0.79 0.11 0.00 0.11 0.00 0.00 57.88 57.40 1adn h LEU 62 Cb 0.05 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.04 1adn h LEU 62 CO -0.01 1.39 0.39 0.00 -4.11 0.00 0.00 178.44 176.11 1adn h ALA 63 N 0.31 2.10 -0.42 0.17 0.00 -0.58 1.44 119.26 122.28 1adn h ALA 63 Ca -0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1adn h ALA 63 Cb 1.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1adn h ALA 63 CO 0.17 -0.59 -0.21 0.00 0.00 0.00 0.00 179.25 178.62 1adn h ALA 64 N 1.57 0.84 0.00 0.00 0.00 0.22 -3.48 119.26 118.40 1adn h ALA 64 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1adn h ALA 64 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1adn h ALA 64 CO -0.00 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1adn n GLY 65 N -0.22 1.56 2.00 0.00 0.00 0.49 -5.08 105.19 103.94 1adn n GLY 65 Ca 0.00 0.00 -0.11 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 -0.41 -1.98 -3.27 1.61 7.35 -0.83 -5.02 117.46 114.92 1adn n PHE 66 Ca 0.00 -1.14 -0.44 0.00 -0.76 0.00 0.00 57.45 55.11 1adn n PHE 66 Cb 0.00 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 39.50 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 -3.28 3.06 -0.30 -4.13 6.06 -1.26 -4.76 118.95 114.34 1adn s ARG 67 Ca 0.25 -1.06 -0.37 0.00 -2.50 0.00 0.00 55.73 52.05 1adn s ARG 67 Cb -0.02 -4.10 -0.13 0.00 0.06 0.00 0.00 34.95 30.76 1adn s ARG 67 CO 0.16 -1.11 2.01 -2.30 -2.50 0.00 0.00 175.30 171.56 1adn n PRO 68 N 5.73 1.20 -3.86 5.12 -0.02 -1.26 -0.51 135.00 141.40 1adn n PRO 68 Ca -0.09 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 1adn n PRO 68 Cb 0.45 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 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 4.27 0.00 0.00 0.00 4.81 -1.26 -2.61 118.16 123.37 1adn n LYS 70 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1adn n LYS 70 Cb 0.40 -0.07 -0.00 0.00 0.02 0.00 0.00 35.03 35.38 1adn n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1adn h ARG 71 N 0.00 -0.01 0.00 1.64 -0.00 -1.98 -3.39 114.38 110.65 1adn h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1adn h ARG 71 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1adn h ARG 71 CO 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.97 1adn n GLN 73 N 0.00 0.00 -1.48 0.00 -0.06 -1.26 -4.92 117.38 109.65 1adn n GLN 73 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 1adn n GLN 73 Cb 0.00 -0.04 0.19 0.00 -4.06 0.00 0.00 30.24 26.33 1adn n GLN 73 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1adn s PRO 74 N 0.00 0.08 0.05 3.69 0.02 -1.26 -5.06 135.00 132.51 1adn s PRO 74 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 61.00 60.96 1adn s PRO 74 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1adn s PRO 74 CO 0.00 -2.85 0.00 -0.40 -0.33 0.00 0.00 177.00 173.42 1adn n ASP 75 N -4.15 -0.06 -0.13 2.53 5.75 -1.26 -5.05 116.55 114.18 1adn n ASP 75 Ca 0.12 0.09 -0.25 0.00 -0.01 0.00 0.00 54.79 54.73 1adn n ASP 75 Cb 0.59 0.11 -0.11 0.00 -1.03 0.00 0.00 41.12 40.69 1adn n ASP 75 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1adn n LYS 76 N -2.67 0.61 -2.66 0.11 2.85 -1.26 -5.00 118.16 110.15 1adn n LYS 76 Ca 0.00 0.23 -0.04 0.00 -1.05 0.00 0.00 58.31 57.45 1adn n LYS 76 Cb 0.00 -1.51 0.07 0.00 -0.65 0.00 0.00 35.03 32.94 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 -3.86 -3.87 -4.18 0.58 0.00 -1.26 -5.03 120.51 102.89 1adn n ALA 77 Ca -0.51 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 52.52 1adn n ALA 77 Cb 0.92 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 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 1.70 -0.22 -1.92 0.00 3.02 -1.26 -4.98 115.26 111.60 1adn n ASN 78 Ca 0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1adn n ASN 78 Cb 0.71 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 1adn n ASN 78 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1adn n PRO 79 N -4.45 2.68 -3.58 3.52 -0.02 -1.26 -5.12 135.00 126.76 1adn n PRO 79 Ca -0.25 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.07 1adn n PRO 79 Cb 0.65 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.07 1adn n PRO 79 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1adn s ARG 80 N 0.00 0.93 0.00 -0.52 1.70 -1.26 -5.16 118.95 114.64 1adn s ARG 80 Ca 0.00 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1adn s ARG 80 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1adn s ARG 80 CO 0.00 -0.24 0.00 0.94 -1.08 0.00 0.00 175.30 174.92 1adn n GLN 81 N 1.57 0.00 0.00 3.89 7.27 -1.26 -5.15 117.38 123.70 1adn n GLN 81 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 1adn n GLN 81 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1adn n GLN 81 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1adn n HIS 82 N 0.00 0.00 -3.61 3.69 8.25 -1.26 -5.14 115.22 117.15 1adn n HIS 82 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1adn n HIS 82 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1adn n HIS 82 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1adn s ARG 83 N 0.00 0.33 0.03 -0.41 1.70 -1.26 -5.19 118.95 114.15 1adn s ARG 83 Ca 0.00 0.06 -0.17 0.00 -0.47 0.00 0.00 55.73 55.15 1adn s ARG 83 Cb 0.00 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 1adn s ARG 83 CO 0.00 -0.11 0.49 -1.17 -1.08 0.00 0.00 175.30 173.43 1adn s LEU 84 N -1.15 4.49 0.45 -1.89 2.96 -1.26 -5.12 118.68 117.16 1adn s LEU 84 Ca 0.04 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1adn s LEU 84 Cb -0.01 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1adn s LEU 84 CO -0.03 0.28 0.03 -0.62 -1.32 0.00 0.00 176.35 174.68 1adn s ASP 85 N -0.97 3.71 -0.38 3.68 2.15 -1.26 -5.07 116.67 118.53 1adn s ASP 85 Ca 0.26 -1.55 0.07 0.00 0.43 0.00 0.00 52.55 51.77 1adn s ASP 85 Cb -0.18 0.19 0.68 0.00 -0.30 0.00 0.00 42.92 43.32 1adn s ASP 85 CO 0.16 -0.72 1.82 0.29 -0.17 0.00 0.00 175.17 176.54 1adn n LYS 86 N -1.08 2.80 -2.71 4.34 5.02 -1.26 -4.29 118.16 120.99 1adn n LYS 86 Ca -0.12 -3.06 -0.03 0.00 -2.02 0.00 0.00 58.31 53.08 1adn n LYS 86 Cb 0.67 -2.15 0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1adn n LYS 86 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1adn n ILE 87 N -0.74 0.39 -1.44 -0.18 0.13 -1.26 -4.94 119.36 111.32 1adn n ILE 87 Ca 0.49 -1.74 0.07 0.00 -1.10 0.00 0.00 62.75 60.46 1adn n ILE 87 Cb 1.48 1.04 0.11 0.00 -0.84 0.00 0.00 39.64 41.43 1adn n ILE 87 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1adn n THR 88 N -1.00 1.37 -0.20 9.51 -2.24 -1.26 -5.05 114.28 115.40 1adn n THR 88 Ca -0.07 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1adn n THR 88 Cb 0.85 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1adn n THR 88 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1adn n HIS 89 N -0.94 0.00 -2.82 4.78 -0.00 -1.26 -4.99 115.22 109.99 1adn n HIS 89 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1adn n HIS 89 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.68 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 -3.00 -0.06 -0.20 1.57 0.00 -1.26 -3.66 120.51 113.90 1adn n ALA 90 Ca 0.00 0.01 0.30 0.00 0.00 0.00 0.00 53.44 53.75 1adn n ALA 90 Cb 0.00 -0.02 0.65 0.00 0.00 0.00 0.00 19.45 20.08 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50