#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn s LYS 2 N 0.00 3.76 0.33 2.12 1.02 -1.26 -4.89 119.74 120.82 1adn s LYS 2 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1adn s LYS 2 Cb 0.00 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1adn s LYS 2 CO 0.00 -0.93 0.00 1.17 -0.92 0.00 0.00 175.35 174.67 1adn n LYS 3 N 6.65 -1.78 -2.84 1.68 0.00 -1.26 -4.93 118.16 115.68 1adn n LYS 3 Ca 0.05 1.45 -0.35 0.00 0.00 0.00 0.00 58.31 59.46 1adn n LYS 3 Cb 0.48 -2.08 -0.07 0.00 0.00 0.00 0.00 35.03 33.36 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1adn s ALA 4 N -3.59 3.16 -0.05 3.14 0.00 -1.26 -5.07 121.76 118.09 1adn s ALA 4 Ca 0.00 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 1adn s ALA 4 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1adn s ALA 4 CO 0.00 0.17 0.70 0.99 0.00 0.00 0.00 175.76 177.62 1adn s THR 5 N -1.87 5.01 -0.03 0.00 2.01 -1.26 -4.98 115.64 114.50 1adn s THR 5 Ca 0.55 1.45 0.25 0.00 0.31 0.00 0.00 61.69 64.25 1adn s THR 5 Cb -0.14 -4.04 0.28 0.00 0.01 0.00 0.00 72.50 68.61 1adn s THR 5 CO 0.19 0.28 1.77 0.00 -0.69 0.00 0.00 174.62 176.17 1adn s LEU 7 N -6.46 3.32 0.01 0.00 1.02 -1.26 -4.95 118.68 110.36 1adn s LEU 7 Ca 0.03 0.75 0.02 0.00 0.02 0.00 0.00 54.13 54.95 1adn s LEU 7 Cb 0.08 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 1adn s LEU 7 CO 0.63 -2.87 -0.01 0.42 0.02 0.00 0.00 176.35 174.54 1adn s THR 8 N 11.70 4.04 0.64 5.49 -4.23 -1.26 -4.99 115.64 127.03 1adn s THR 8 Ca 0.89 -0.69 0.22 0.00 -1.18 0.00 0.00 61.69 60.94 1adn s THR 8 Cb -0.15 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1adn s THR 8 CO 0.22 0.34 1.60 0.44 -0.54 0.00 0.00 174.62 176.69 1adn h ASP 9 N 4.25 0.00 0.26 3.99 5.19 -1.98 -0.37 116.42 127.76 1adn h ASP 9 Ca -0.49 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 1adn h ASP 9 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1adn h ASP 9 CO 0.57 0.00 -0.12 -0.78 -3.12 0.00 0.00 179.24 175.78 1adn h ASP 10 N 0.00 -0.30 -0.35 6.45 3.58 -1.97 -1.85 116.42 121.99 1adn h ASP 10 Ca 0.13 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 1adn h ASP 10 Cb 1.46 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.57 1adn h ASP 10 CO -0.00 0.11 -0.07 1.56 -2.88 0.00 0.00 179.24 177.96 1adn h GLN 11 N -0.76 0.76 0.00 0.28 4.20 -1.50 0.44 115.11 118.53 1adn h GLN 11 Ca -0.04 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1adn h GLN 11 Cb 0.50 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1adn h GLN 11 CO 0.06 0.81 0.00 0.54 -0.67 0.00 0.00 178.83 179.57 1adn n ARG 12 N -4.19 0.00 0.24 1.46 5.12 -0.39 -0.18 116.66 118.73 1adn n ARG 12 Ca 0.02 0.81 0.13 0.00 -1.93 0.00 0.00 57.85 56.87 1adn n ARG 12 Cb 0.34 -1.45 0.53 0.00 -1.16 0.00 0.00 32.46 30.71 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 -1.00 -1.55 2.91 -1.25 0.26 115.95 115.32 1adn h TRP 13 Ca 0.00 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.05 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 -0.55 0.13 0.66 0.37 -1.03 0.00 0.00 178.44 178.03 1adn h GLN 14 N 0.00 1.25 -0.77 2.65 5.75 -0.02 0.16 115.11 124.12 1adn h GLN 14 Ca -0.00 -0.08 0.12 0.00 -0.15 0.00 0.00 58.65 58.54 1adn h GLN 14 Cb 0.67 -0.28 -0.13 0.00 1.07 0.00 0.00 27.48 28.81 1adn h GLN 14 CO 0.02 0.83 -0.41 0.77 -2.65 0.00 0.00 178.83 177.38 1adn h SER 15 N 1.29 -1.47 0.36 -0.69 0.02 0.29 -2.11 113.55 111.24 1adn h SER 15 Ca 0.39 0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.60 1adn h SER 15 Cb -0.04 0.71 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1adn h SER 15 CO -0.11 -0.30 -0.17 0.58 -1.14 0.00 0.00 176.83 175.68 1adn h VAL 16 N -0.11 0.65 -0.95 2.27 2.07 -0.76 -2.24 116.25 117.19 1adn h VAL 16 Ca 0.25 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 68.01 1adn h VAL 16 Cb 0.56 0.67 -0.17 0.00 -1.52 0.00 0.00 31.29 30.83 1adn h VAL 16 CO -0.82 0.01 0.19 -0.07 0.02 0.00 0.00 177.57 176.90 1adn h LEU 17 N -0.51 -0.16 0.00 2.57 3.38 -0.60 -3.35 115.31 116.65 1adn h LEU 17 Ca -0.05 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1adn h LEU 17 Cb 0.38 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1adn h LEU 17 CO 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1adn n ALA 18 N -2.82 0.00 0.00 1.53 0.00 -0.81 -5.06 120.51 113.35 1adn n ALA 18 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1adn n ALA 18 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.00 -1.39 0.00 1.85 -0.87 -5.10 116.66 111.14 1adn n ARG 19 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.38 1adn n ARG 19 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1adn n ASP 20 N 0.00 -1.37 0.00 2.89 -0.08 -1.03 -4.94 116.55 112.03 1adn n ASP 20 Ca 0.00 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.37 1adn n ASP 20 Cb 0.00 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 42.51 1adn n ASP 20 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1adn n PRO 21 N 1.03 0.00 0.00 -0.67 -0.02 -1.26 -4.72 135.00 129.36 1adn n PRO 21 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1adn n PRO 21 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 1adn n PRO 21 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1adn n ASN 22 N 0.00 0.00 -3.16 2.55 5.15 -1.26 -5.03 115.26 113.50 1adn n ASN 22 Ca 0.00 0.08 0.03 0.00 -0.60 0.00 0.00 54.58 54.09 1adn n ASN 22 Cb 0.00 -0.17 -0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 -4.02 -2.37 -0.39 5.20 0.00 -1.26 -4.43 121.76 114.49 1adn s ALA 23 Ca 0.00 0.89 -0.35 0.00 0.00 0.00 0.00 51.96 52.50 1adn s ALA 23 Cb 0.00 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.40 1adn s ALA 23 CO 0.00 -1.90 1.47 -0.25 0.00 0.00 0.00 175.76 175.08 1adn n ASP 24 N 5.24 0.75 0.00 0.00 8.00 -1.26 -1.55 116.55 127.73 1adn n ASP 24 Ca 0.06 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1adn n ASP 24 Cb 0.54 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 4.57 1.22 0.67 0.44 0.00 -1.26 -2.74 105.19 108.09 1adn n GLY 25 Ca 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.87 1.61 4.71 -0.60 -5.13 120.64 120.37 1adn n GLU 26 Ca 0.00 -0.41 -0.31 0.00 -0.01 0.00 0.00 57.16 56.44 1adn n GLU 26 Cb 0.00 0.24 0.15 0.00 -1.01 0.00 0.00 31.44 30.82 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1adn s PHE 27 N 0.00 1.90 0.02 -0.32 -0.12 -1.02 -3.65 117.98 114.79 1adn s PHE 27 Ca 0.00 1.66 -0.10 0.00 -0.05 0.00 0.00 56.93 58.45 1adn s PHE 27 Cb 0.00 -3.24 0.01 0.00 -0.63 0.00 0.00 43.02 39.16 1adn s PHE 27 CO 0.00 -2.58 0.19 0.14 -0.05 0.00 0.00 175.22 172.92 1adn s VAL 28 N -2.72 0.09 0.03 -2.49 -7.23 0.97 -4.65 120.40 104.40 1adn s VAL 28 Ca 0.65 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 1adn s VAL 28 Cb -0.21 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1adn s VAL 28 CO 0.58 -0.42 -0.11 0.72 -0.31 0.00 0.00 175.10 175.56 1adn s PHE 29 N -1.94 0.98 -0.31 2.82 -0.71 -0.12 -0.27 117.98 118.43 1adn s PHE 29 Ca -0.10 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1adn s PHE 29 Cb -0.04 -0.59 0.10 0.00 -1.21 0.00 0.00 43.02 41.27 1adn s PHE 29 CO -0.01 0.00 0.07 0.00 -1.34 0.00 0.00 175.22 173.94 1adn s ALA 30 N -0.78 2.05 -0.61 1.99 0.00 0.50 -0.47 121.76 124.44 1adn s ALA 30 Ca -0.00 -1.95 -0.24 0.00 0.00 0.00 0.00 51.96 49.77 1adn s ALA 30 Cb -0.07 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.37 1adn s ALA 30 CO 0.01 -1.64 0.97 0.54 0.00 0.00 0.00 175.76 175.64 1adn s VAL 31 N 1.35 4.32 -0.62 0.00 0.11 -0.87 0.16 120.40 124.85 1adn s VAL 31 Ca 0.09 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1adn s VAL 31 Cb -0.18 -4.62 0.02 0.00 -1.53 0.00 0.00 36.38 30.07 1adn s VAL 31 CO -0.17 -1.30 0.72 -2.11 -3.33 0.00 0.00 175.10 168.91 1adn n ARG 32 N 7.68 1.08 -0.07 1.54 -4.01 -1.10 -2.08 116.66 119.70 1adn n ARG 32 Ca -0.00 -0.08 -0.09 0.00 -1.04 0.00 0.00 57.85 56.64 1adn n ARG 32 Cb 0.47 -1.34 -0.09 0.00 -3.04 0.00 0.00 32.46 28.46 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1adn n THR 33 N 0.18 0.91 1.09 8.89 5.66 -1.26 -4.48 114.28 125.27 1adn n THR 33 Ca 0.01 -0.45 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 1adn n THR 33 Cb 0.37 -0.88 0.14 0.00 -1.55 0.00 0.00 70.33 68.41 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 -2.73 0.00 -3.25 1.09 -1.04 -1.19 -5.02 114.28 102.14 1adn n THR 34 Ca -0.25 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.05 61.28 1adn n THR 34 Cb 0.86 1.12 0.06 0.00 -1.82 0.00 0.00 70.33 70.56 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 1.36 -0.19 2.97 3.41 0.00 -0.88 -5.05 105.19 106.81 1adn n GLY 35 Ca 0.12 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.26 0.42 -0.17 -0.61 -4.36 -1.19 -4.40 121.20 107.63 1adn s ILE 36 Ca 0.29 -0.34 -0.01 0.00 -0.26 0.00 0.00 60.65 60.33 1adn s ILE 36 Cb -0.13 -0.38 -0.00 0.00 1.25 0.00 0.00 42.46 43.20 1adn s ILE 36 CO 0.56 0.04 -0.12 0.72 0.24 0.00 0.00 174.94 176.38 1adn s PHE 37 N -0.30 2.84 0.12 1.37 -0.71 0.19 -2.05 117.98 119.43 1adn s PHE 37 Ca 0.00 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 54.91 1adn s PHE 37 Cb -0.03 -1.94 -0.04 0.00 -1.21 0.00 0.00 43.02 39.79 1adn s PHE 37 CO -0.00 -0.47 0.00 0.00 -1.34 0.00 0.00 175.22 173.41 1adn s ARG 39 N -3.95 4.27 0.00 0.00 3.52 -1.08 -0.94 118.95 120.77 1adn s ARG 39 Ca 0.18 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1adn s ARG 39 Cb 0.07 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1adn s ARG 39 CO -0.02 -0.47 0.00 -2.30 -0.81 0.00 0.00 175.30 171.70 1adn n PRO 40 N 5.75 0.00 0.02 5.12 -0.02 -1.26 -4.58 135.00 140.03 1adn n PRO 40 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1adn n PRO 40 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 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 -0.35 -0.01 2.55 3.41 -1.26 -4.73 113.62 113.23 1adn n SER 41 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1adn n SER 41 Cb 0.00 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.01 0.00 -0.24 0.00 1.85 -1.26 -4.29 116.66 112.74 1adn n ARG 43 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1adn n ARG 43 Cb 0.00 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 31.62 1adn n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1adn n ALA 44 N -3.04 -3.82 0.08 2.89 0.00 -1.26 -4.74 120.51 110.62 1adn n ALA 44 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 53.44 52.36 1adn n ALA 44 Cb 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 19.45 19.53 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 -4.20 0.04 0.00 0.00 3.00 -1.26 -4.89 116.66 109.36 1adn n ARG 45 Ca 0.10 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 1adn n ARG 45 Cb 0.43 -1.90 0.00 0.00 0.00 0.00 0.00 32.46 31.00 1adn n ARG 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1adn n HIS 46 N -1.67 0.00 -3.12 -0.14 8.25 -1.26 -5.02 115.22 112.27 1adn n HIS 46 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1adn n HIS 46 Cb 0.27 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1adn s ALA 47 N -3.34 3.46 0.40 -1.41 0.00 -1.26 -5.07 121.76 114.54 1adn s ALA 47 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1adn s ALA 47 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.23 1adn s ALA 47 CO 0.00 0.34 1.29 -0.51 0.00 0.00 0.00 175.76 176.87 1adn s LEU 48 N -1.61 4.22 0.00 0.00 1.02 -1.26 -4.94 118.68 116.10 1adn s LEU 48 Ca 0.38 2.62 0.18 0.00 0.02 0.00 0.00 54.13 57.33 1adn s LEU 48 Cb -0.19 -3.91 1.08 0.00 0.02 0.00 0.00 46.19 43.19 1adn s LEU 48 CO 0.22 -0.82 1.64 -2.11 0.02 0.00 0.00 176.35 175.29 1adn n ARG 49 N 0.13 0.92 0.08 1.70 1.85 -1.26 -3.83 116.66 116.25 1adn n ARG 49 Ca 0.04 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 1adn n ARG 49 Cb 0.44 -1.31 0.17 0.00 -1.05 0.00 0.00 32.46 30.71 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 0.00 0.00 0.00 2.89 4.39 -2.01 -3.32 114.58 116.53 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 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1adn h GLU 50 CO 0.00 0.00 -0.17 0.27 -1.16 0.00 0.00 179.01 177.95 1adn n ASN 51 N -2.27 0.85 -4.89 1.42 6.94 -1.25 -5.12 115.26 110.95 1adn n ASN 51 Ca 0.03 -1.95 -0.35 0.00 -0.02 0.00 0.00 54.58 52.29 1adn n ASN 51 Cb 0.46 -0.16 -0.05 0.00 -2.36 0.00 0.00 39.78 37.67 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 -0.78 5.45 -0.01 3.53 0.11 -1.25 -2.71 120.40 124.73 1adn s VAL 52 Ca 0.07 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1adn s VAL 52 Cb 0.06 -3.48 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1adn s VAL 52 CO 0.01 0.49 -0.17 -0.55 -3.33 0.00 0.00 175.10 171.55 1adn s SER 53 N -1.42 1.96 0.19 3.54 0.15 0.12 -4.84 113.70 113.40 1adn s SER 53 Ca 0.21 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.63 1adn s SER 53 Cb -0.12 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1adn s SER 53 CO 0.11 0.20 0.04 -0.36 1.20 0.00 0.00 173.24 174.43 1adn s PHE 54 N -0.39 2.90 0.08 3.44 0.08 -1.26 0.19 117.98 123.02 1adn s PHE 54 Ca 0.06 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 1adn s PHE 54 Cb -0.06 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1adn s PHE 54 CO -0.01 0.53 0.27 0.71 -0.10 0.00 0.00 175.22 176.62 1adn s TYR 55 N -1.83 -0.00 -0.24 0.36 1.51 0.63 -4.98 117.35 112.80 1adn s TYR 55 Ca 0.29 -0.32 0.28 0.00 -1.01 0.00 0.00 57.07 56.30 1adn s TYR 55 Cb -0.09 0.05 0.81 0.00 -0.11 0.00 0.00 41.96 42.62 1adn s TYR 55 CO 0.20 -0.56 1.78 0.00 -1.11 0.00 0.00 175.55 175.85 1adn h ALA 56 N 2.82 1.00 -3.00 3.71 0.00 -1.87 0.28 119.26 122.21 1adn h ALA 56 Ca -0.33 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1adn h ALA 56 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1adn h ALA 56 CO 0.51 0.00 0.24 0.54 0.00 0.00 0.00 179.25 180.54 1adn s ASN 57 N -5.83 -0.10 0.08 0.00 6.03 -1.24 -2.43 114.94 111.45 1adn s ASN 57 Ca 0.05 -0.91 -0.20 0.00 -1.03 0.00 0.00 52.86 50.76 1adn s ASN 57 Cb 0.07 0.79 -0.10 0.00 -3.03 0.00 0.00 41.25 38.98 1adn s ASN 57 CO 0.60 -1.53 1.60 0.00 -2.03 0.00 0.00 177.10 175.75 1adn h ALA 58 N 2.01 0.23 0.00 3.54 0.00 -1.92 -2.94 119.26 120.17 1adn h ALA 58 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1adn h ALA 58 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1adn h ALA 58 CO 0.33 -0.17 0.29 0.45 0.00 0.00 0.00 179.25 180.15 1adn n SER 59 N -4.84 0.36 -0.04 0.00 2.88 -1.26 0.40 113.62 111.12 1adn n SER 59 Ca -0.04 0.57 -0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1adn n SER 59 Cb 0.14 -0.52 -0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1adn n SER 59 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1adn h GLU 60 N 0.00 0.00 0.00 -1.46 4.57 -1.94 -1.62 114.58 114.12 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 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1adn h GLU 60 CO 0.00 0.00 0.37 0.00 -1.18 0.00 0.00 179.01 178.20 1adn n ALA 61 N -2.58 0.49 -0.07 2.92 0.00 0.13 0.33 120.51 121.73 1adn n ALA 61 Ca -0.00 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 1adn n ALA 61 Cb 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 0.06 -1.85 0.00 6.46 -0.14 -1.08 115.31 118.75 1adn h LEU 62 Ca 0.00 -0.81 0.17 0.00 -0.12 0.00 0.00 57.88 57.13 1adn h LEU 62 Cb 0.73 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1adn h LEU 62 CO 0.00 1.25 0.60 0.00 -0.62 0.00 0.00 178.44 179.67 1adn h ALA 63 N -0.18 2.37 -0.36 1.25 0.00 0.85 1.43 119.26 124.62 1adn h ALA 63 Ca -0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1adn h ALA 63 Cb 1.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1adn h ALA 63 CO -0.06 -0.91 -0.40 0.00 0.00 0.00 0.00 179.25 177.88 1adn h ALA 64 N 1.36 0.53 0.00 0.00 0.00 -0.21 -3.48 119.26 117.46 1adn h ALA 64 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1adn h ALA 64 Cb 1.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1adn h ALA 64 CO -0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1adn n GLY 65 N 0.17 1.69 1.19 0.00 0.00 0.49 -5.10 105.19 103.63 1adn n GLY 65 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.96 -3.43 -3.31 1.61 7.35 -0.43 -5.02 117.46 113.27 1adn n PHE 66 Ca 0.00 -0.49 -0.42 0.00 -0.76 0.00 0.00 57.45 55.77 1adn n PHE 66 Cb 0.00 -0.25 -0.09 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 -3.38 3.25 -0.39 -4.13 6.06 -1.26 -4.83 118.95 114.27 1adn s ARG 67 Ca 0.21 -0.61 -0.31 0.00 -2.50 0.00 0.00 55.73 52.52 1adn s ARG 67 Cb -0.01 -3.92 -0.10 0.00 0.06 0.00 0.00 34.95 30.98 1adn s ARG 67 CO 0.14 -0.78 2.29 -2.30 -2.50 0.00 0.00 175.30 172.14 1adn n PRO 68 N 5.62 1.22 -3.84 5.12 -0.02 -1.26 -0.64 135.00 141.20 1adn n PRO 68 Ca -0.07 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 1adn n PRO 68 Cb 0.48 -2.79 -0.12 0.00 -0.02 0.00 0.00 33.50 31.05 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 3.92 0.00 0.00 0.00 4.76 -1.26 -2.63 118.16 122.95 1adn n LYS 70 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1adn n LYS 70 Cb 0.39 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1adn n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1adn n ARG 71 N 0.00 0.00 0.00 1.97 5.12 -1.26 -4.36 116.66 118.12 1adn n ARG 71 Ca 0.00 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 1adn n ARG 71 Cb 0.00 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1adn h GLN 73 N 0.00 0.02 -0.77 0.00 5.75 -1.89 -2.75 115.11 115.48 1adn h GLN 73 Ca 0.00 -0.00 0.27 0.00 -0.15 0.00 0.00 58.65 58.77 1adn h GLN 73 Cb 0.00 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.40 1adn h GLN 73 CO 0.00 0.02 0.24 -2.30 -2.65 0.00 0.00 178.83 174.14 1adn n PRO 74 N -4.72 -0.05 0.00 -2.39 -0.02 -1.26 -4.33 135.00 122.22 1adn n PRO 74 Ca 0.40 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.98 1adn n PRO 74 Cb 1.54 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 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 -4.89 0.00 0.00 2.55 -0.08 -1.04 -5.07 116.55 108.03 1adn n ASP 75 Ca 0.24 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.66 1adn n ASP 75 Cb 0.82 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.92 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 0.00 0.08 0.00 -0.67 3.00 -1.21 -4.97 118.16 114.39 1adn n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1adn n LYS 76 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1adn n ALA 77 N -1.46 0.00 -3.76 3.14 0.00 -1.26 -5.09 120.51 112.09 1adn n ALA 77 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 1adn n ALA 77 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 3.60 -4.32 0.00 6.94 -1.26 -5.05 115.26 115.16 1adn n ASN 78 Ca 0.00 -3.20 -0.12 0.00 -0.02 0.00 0.00 54.58 51.23 1adn n ASN 78 Cb 0.00 -0.88 -0.12 0.00 -2.36 0.00 0.00 39.78 36.42 1adn n ASN 78 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1adn n PRO 79 N 2.00 0.05 -1.70 -0.53 -0.02 -1.26 -4.82 135.00 128.72 1adn n PRO 79 Ca 0.21 -0.19 -0.55 0.00 -2.02 0.00 0.00 63.50 60.95 1adn n PRO 79 Cb 0.36 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 1adn n PRO 79 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1adn n ARG 80 N 5.59 1.36 -1.55 -0.52 1.85 -1.26 -4.78 116.66 117.35 1adn n ARG 80 Ca 0.39 0.50 -0.52 0.00 -1.00 0.00 0.00 57.85 57.21 1adn n ARG 80 Cb 0.32 -2.21 -0.06 0.00 -1.05 0.00 0.00 32.46 29.46 1adn n ARG 80 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1adn n GLN 81 N 5.43 0.79 -2.08 2.89 7.27 -1.26 -4.83 117.38 125.60 1adn n GLN 81 Ca 0.25 0.28 -0.43 0.00 0.07 0.00 0.00 57.00 57.18 1adn n GLN 81 Cb 0.17 -1.80 -0.03 0.00 2.41 0.00 0.00 30.24 30.99 1adn n GLN 81 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1adn s HIS 82 N 0.04 1.93 -0.08 3.69 5.65 -1.26 -4.74 115.29 120.52 1adn s HIS 82 Ca 0.81 0.64 0.03 0.00 0.25 0.00 0.00 55.06 56.79 1adn s HIS 82 Cb -1.00 -4.17 0.10 0.00 -1.18 0.00 0.00 32.58 26.33 1adn s HIS 82 CO 0.52 -2.71 1.06 -2.13 -0.65 0.00 0.00 174.74 170.83 1adn n ARG 83 N 8.39 0.32 -0.01 2.88 0.63 -1.26 -5.17 116.66 122.44 1adn n ARG 83 Ca 0.21 -0.97 0.00 0.00 -0.92 0.00 0.00 57.85 56.17 1adn n ARG 83 Cb 0.47 0.47 0.00 0.00 0.45 0.00 0.00 32.46 33.86 1adn n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1adn n LEU 84 N -0.36 0.00 -4.66 6.15 4.77 -1.26 -5.13 117.00 116.51 1adn n LEU 84 Ca -0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.45 1adn n LEU 84 Cb 0.71 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1adn n LEU 84 CO -0.13 -0.02 -0.35 -0.62 -1.33 0.00 0.00 177.39 174.93 1adn s ASP 85 N -1.00 4.87 -0.40 -1.43 2.15 -1.26 -5.10 116.67 114.50 1adn s ASP 85 Ca 0.00 -0.24 0.08 0.00 0.43 0.00 0.00 52.55 52.82 1adn s ASP 85 Cb 0.00 -1.11 0.25 0.00 -0.30 0.00 0.00 42.92 41.77 1adn s ASP 85 CO 0.00 0.17 0.59 1.17 -0.17 0.00 0.00 175.17 176.93 1adn n LYS 86 N 0.55 0.74 -0.18 4.34 0.00 -1.26 -4.90 118.16 117.44 1adn n LYS 86 Ca -0.11 -3.00 0.08 0.00 0.00 0.00 0.00 58.31 55.28 1adn n LYS 86 Cb 0.52 -1.27 0.16 0.00 0.00 0.00 0.00 35.03 34.44 1adn n LYS 86 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1adn n ILE 87 N 1.37 1.82 -4.37 3.15 -6.64 -1.26 -5.03 119.36 108.41 1adn n ILE 87 Ca 0.19 -1.88 -0.20 0.00 -1.77 0.00 0.00 62.75 59.09 1adn n ILE 87 Cb 0.55 -0.09 -0.16 0.00 -1.44 0.00 0.00 39.64 38.51 1adn n ILE 87 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1adn s THR 88 N -2.47 0.76 -0.22 7.28 2.01 -1.26 -5.04 115.64 116.70 1adn s THR 88 Ca 0.30 -0.33 0.13 0.00 0.31 0.00 0.00 61.69 62.10 1adn s THR 88 Cb 0.25 -0.68 0.44 0.00 0.01 0.00 0.00 72.50 72.52 1adn s THR 88 CO 0.05 0.24 1.19 1.57 -0.69 0.00 0.00 174.62 176.99 1adn n HIS 89 N 3.38 1.07 -3.81 4.92 -0.00 -1.26 -5.04 115.22 114.48 1adn n HIS 89 Ca -0.19 -1.68 -0.29 0.00 0.46 0.00 0.00 57.72 56.02 1adn n HIS 89 Cb 0.54 -0.27 -0.16 0.00 -0.12 0.00 0.00 29.99 29.98 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 -3.01 1.37 -0.23 1.57 0.00 -1.26 -5.03 121.76 115.17 1adn s ALA 90 Ca 0.41 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 1adn s ALA 90 Cb 0.38 -1.28 -0.15 0.00 0.00 0.00 0.00 23.12 22.07 1adn s ALA 90 CO -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 175.76 174.48