#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dks s GLN 2 N 0.00 4.41 -0.20 0.00 2.00 -1.26 -5.03 119.66 119.58 3dks s GLN 2 Ca 0.00 1.40 -0.03 0.00 -2.00 0.00 0.00 55.36 54.73 3dks s GLN 2 Cb 0.00 -3.55 -0.01 0.00 0.80 0.00 0.00 33.01 30.26 3dks s GLN 2 CO 0.00 -0.34 -0.08 0.71 -0.50 0.00 0.00 175.29 175.09 3dks s TYR 3 N 2.08 2.91 -0.09 1.67 2.02 -1.26 -5.02 117.35 119.67 3dks s TYR 3 Ca 0.48 -1.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3dks s TYR 3 Cb -0.18 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 3dks s TYR 3 CO 0.17 -0.54 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.18 3dks s GLU 4 N 1.29 2.88 0.07 -0.62 8.01 -1.26 -5.06 118.70 124.02 3dks s GLU 4 Ca 0.04 -0.85 -0.31 0.00 0.01 0.00 0.00 54.97 53.86 3dks s GLU 4 Cb -0.14 -2.30 -0.09 0.00 -4.31 0.00 0.00 34.13 27.29 3dks s GLU 4 CO -0.04 0.29 1.70 0.34 0.01 0.00 0.00 175.26 177.56 3dks s ASP 5 N 0.09 6.56 0.00 -0.19 2.15 -1.26 -1.39 116.67 122.63 3dks s ASP 5 Ca -0.10 2.54 0.00 0.00 0.43 0.00 0.00 52.55 55.41 3dks s ASP 5 Cb -0.16 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3dks s ASP 5 CO 0.06 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 3dks n GLY 6 N 4.07 3.06 0.00 2.66 0.00 0.16 -4.96 105.19 110.19 3dks n GLY 6 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dks n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dks n LYS 7 N -0.86 0.00 0.21 1.61 -0.00 -0.49 -4.73 118.16 113.91 3dks n LYS 7 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 3dks n LYS 7 Cb 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 35.03 35.58 3dks n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 3dks h GLN 8 N 0.00 0.00 -3.69 -1.58 7.50 -1.71 -3.32 115.11 112.30 3dks h GLN 8 Ca 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 3dks h GLN 8 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.43 3dks h GLN 8 CO 0.00 0.00 -0.16 1.52 -1.50 0.00 0.00 178.83 178.69 3dks s TYR 9 N -3.47 0.34 0.18 2.96 1.13 -1.26 -0.83 117.35 116.41 3dks s TYR 9 Ca 0.03 -0.69 0.08 0.00 -1.41 0.00 0.00 57.07 55.08 3dks s TYR 9 Cb 0.09 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 3dks s TYR 9 CO 0.51 -0.91 -0.15 0.95 -2.51 0.00 0.00 175.55 173.43 3dks s THR 10 N -3.99 1.70 -0.24 -3.49 -4.23 0.63 0.40 115.64 106.41 3dks s THR 10 Ca 0.20 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 3dks s THR 10 Cb 0.00 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3dks s THR 10 CO 0.06 -0.51 0.02 -0.89 -0.54 0.00 0.00 174.62 172.76 3dks s THR 11 N -2.64 3.85 0.25 3.99 2.01 -1.26 -0.67 115.64 121.17 3dks s THR 11 Ca 0.19 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 3dks s THR 11 Cb -0.02 -2.78 -0.12 0.00 0.01 0.00 0.00 72.50 69.58 3dks s THR 11 CO 0.06 0.38 1.59 0.18 -0.69 0.00 0.00 174.62 176.14 3dks n LEU 12 N 4.86 3.89 0.14 4.42 4.77 -0.30 -4.88 117.00 129.91 3dks n LEU 12 Ca -0.17 1.12 0.01 0.00 -0.03 0.00 0.00 56.01 56.94 3dks n LEU 12 Cb 0.51 -1.54 0.16 0.00 -2.33 0.00 0.00 43.42 40.22 3dks n LEU 12 CO 0.30 -0.01 0.50 -0.33 -1.33 0.00 0.00 177.39 176.52 3dks h GLU 13 N 5.30 0.00 -3.12 3.23 4.39 -1.98 -3.36 114.58 119.04 3dks h GLU 13 Ca -0.45 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.62 3dks h GLU 13 Cb 1.23 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.46 3dks h GLU 13 CO 0.84 0.57 -0.56 0.15 -1.16 0.00 0.00 179.01 178.84 3dks s LYS 14 N -3.34 2.45 0.85 2.33 1.02 -1.26 -5.11 119.74 116.69 3dks s LYS 14 Ca 0.01 -3.30 -0.11 0.00 0.02 0.00 0.00 55.97 52.59 3dks s LYS 14 Cb 0.11 -3.43 0.11 0.00 -0.52 0.00 0.00 37.83 34.09 3dks s LYS 14 CO 0.74 -1.27 1.15 -1.25 -0.92 0.00 0.00 175.35 173.80 3dks s PRO 15 N -1.37 1.44 -0.14 -1.68 0.04 -1.26 -4.98 135.00 127.06 3dks s PRO 15 Ca 0.24 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 3dks s PRO 15 Cb -0.06 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 3dks s PRO 15 CO -0.15 -2.32 -0.12 0.08 0.04 0.00 0.00 177.00 174.54 3dks s VAL 16 N -2.53 3.17 0.10 -0.36 1.01 0.05 -5.03 120.40 116.81 3dks s VAL 16 Ca 0.68 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 3dks s VAL 16 Cb -0.24 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 3dks s VAL 16 CO 0.55 0.52 0.61 0.00 0.00 0.00 0.00 175.10 176.77 3dks s ALA 17 N 0.40 3.56 0.00 5.51 0.00 -1.26 -4.23 121.76 125.74 3dks s ALA 17 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3dks s ALA 17 Cb -0.16 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3dks s ALA 17 CO 0.05 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.60 3dks n GLY 18 N 1.59 0.52 3.79 0.00 0.00 -1.26 -5.04 105.19 104.80 3dks n GLY 18 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3dks n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dks s ALA 19 N -2.08 2.76 0.55 4.61 0.00 -1.26 -5.00 121.76 121.34 3dks s ALA 19 Ca 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 3dks s ALA 19 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3dks s ALA 19 CO 0.00 -0.64 0.97 -2.30 0.00 0.00 0.00 175.76 173.79 3dks n PRO 20 N -1.47 1.05 -0.17 0.00 -0.02 -1.26 -4.68 135.00 128.45 3dks n PRO 20 Ca 0.10 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 3dks n PRO 20 Cb 0.52 -2.13 0.07 0.00 -0.02 0.00 0.00 33.50 31.94 3dks n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3dks h GLN 21 N 0.81 0.13 -3.66 -0.52 4.20 -1.93 -3.33 115.11 110.82 3dks h GLN 21 Ca -0.47 -0.01 -0.51 0.00 0.06 0.00 0.00 58.65 57.72 3dks h GLN 21 Cb 1.35 -0.03 -0.39 0.00 0.30 0.00 0.00 27.48 28.71 3dks h GLN 21 CO 0.52 0.09 -0.77 0.08 -0.67 0.00 0.00 178.83 178.09 3dks s VAL 22 N -6.16 0.58 -0.21 -0.54 1.01 -1.21 0.15 120.40 114.02 3dks s VAL 22 Ca -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3dks s VAL 22 Cb 0.17 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.59 3dks s VAL 22 CO 0.73 -0.08 -0.15 -0.22 0.00 0.00 0.00 175.10 175.37 3dks s LEU 23 N 1.85 2.62 -0.09 3.92 2.96 0.82 -0.58 118.68 130.18 3dks s LEU 23 Ca 0.00 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 3dks s LEU 23 Cb -0.16 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3dks s LEU 23 CO -0.07 -0.06 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.15 3dks s GLU 24 N 1.27 2.95 0.00 1.98 2.12 0.02 0.18 118.70 127.22 3dks s GLU 24 Ca 0.01 -0.51 0.07 0.00 0.36 0.00 0.00 54.97 54.91 3dks s GLU 24 Cb -0.15 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 3dks s GLU 24 CO -0.09 0.61 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.97 3dks s PHE 25 N -0.65 2.49 0.23 5.30 0.08 0.34 -0.90 117.98 124.86 3dks s PHE 25 Ca 0.10 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 3dks s PHE 25 Cb -0.12 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 3dks s PHE 25 CO 0.02 0.13 0.39 -0.59 -0.10 0.00 0.00 175.22 175.07 3dks s PHE 26 N -0.77 0.52 0.00 0.36 -0.71 -0.73 -2.62 117.98 114.03 3dks s PHE 26 Ca 0.12 -0.85 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 3dks s PHE 26 Cb -0.10 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 3dks s PHE 26 CO 0.02 -0.90 -0.08 0.45 -1.34 0.00 0.00 175.22 173.37 3dks s SER 27 N -3.04 0.92 0.29 1.98 0.15 -1.26 -0.78 113.70 111.97 3dks s SER 27 Ca 0.25 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.93 3dks s SER 27 Cb 0.01 -0.08 1.05 0.00 -1.71 0.00 0.00 66.02 65.29 3dks s SER 27 CO 0.09 0.05 1.74 -0.26 1.20 0.00 0.00 173.24 176.05 3dks h PHE 28 N 5.69 0.00 0.00 3.44 0.04 -1.97 -2.67 116.94 121.47 3dks h PHE 28 Ca -0.31 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 3dks h PHE 28 Cb 1.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 3dks h PHE 28 CO 0.45 0.00 -0.47 0.74 -0.60 0.00 0.00 178.31 178.43 3dks h PHE 29 N 0.00 0.00 -3.20 -0.55 0.04 -1.95 -3.43 116.94 107.85 3dks h PHE 29 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3dks h PHE 29 Cb 0.34 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 3dks h PHE 29 CO 0.00 0.13 0.62 0.00 -0.60 0.00 0.00 178.31 178.46 3dks h PRO 31 N 7.34 0.30 0.03 0.00 0.13 -1.91 -0.87 132.00 137.02 3dks h PRO 31 Ca -0.25 -0.09 -0.21 0.00 -0.87 0.00 0.00 66.00 64.58 3dks h PRO 31 Cb 1.10 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3dks h PRO 31 CO 0.90 0.50 -0.96 1.25 -0.23 0.00 0.00 178.00 179.46 3dks h HIS 32 N 0.27 0.29 -0.74 1.56 2.76 -1.93 -1.03 115.15 116.34 3dks h HIS 32 Ca 0.05 -0.18 0.03 0.00 -2.20 0.00 0.00 60.37 58.07 3dks h HIS 32 Cb 0.52 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 3dks h HIS 32 CO 0.01 1.04 0.47 0.00 -1.30 0.00 0.00 177.93 178.15 3dks h TYR 34 N 0.92 0.43 -0.08 0.00 5.03 -0.91 -0.69 116.97 121.68 3dks h TYR 34 Ca 0.29 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.62 3dks h TYR 34 Cb 0.00 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 3dks h TYR 34 CO -0.04 0.22 0.05 0.37 -1.32 0.00 0.00 178.16 177.44 3dks h GLN 35 N 0.46 0.11 -0.54 1.82 5.75 -0.79 0.39 115.11 122.30 3dks h GLN 35 Ca 0.20 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.78 3dks h GLN 35 Cb 0.10 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.55 3dks h GLN 35 CO -0.14 0.11 0.12 0.74 -2.65 0.00 0.00 178.83 177.02 3dks h PHE 36 N 0.07 0.19 0.00 3.99 -1.00 -0.52 0.14 116.94 119.81 3dks h PHE 36 Ca 0.03 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.71 3dks h PHE 36 Cb 0.04 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 3dks h PHE 36 CO -0.06 -0.01 -0.82 1.49 -1.61 0.00 0.00 178.31 177.31 3dks h GLU 37 N 0.26 0.00 0.00 1.51 4.57 -0.90 0.17 114.58 120.19 3dks h GLU 37 Ca 0.28 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 3dks h GLU 37 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3dks h GLU 37 CO -0.35 0.67 -0.60 0.93 -1.18 0.00 0.00 179.01 178.48 3dks h GLU 38 N -1.00 0.00 0.00 1.92 4.39 -0.35 -3.24 114.58 116.31 3dks h GLU 38 Ca -0.19 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.36 3dks h GLU 38 Cb 0.97 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3dks h GLU 38 CO -0.12 0.29 -1.32 0.28 -1.16 0.00 0.00 179.01 176.98 3dks n VAL 39 N -3.07 1.08 0.08 3.13 0.31 -0.96 -4.77 118.33 114.12 3dks n VAL 39 Ca 0.00 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.36 3dks n VAL 39 Cb 0.68 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 3dks n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dks h LEU 40 N -0.56 0.00 -1.53 7.52 3.38 -0.80 -3.49 115.31 119.83 3dks h LEU 40 Ca -0.23 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.36 3dks h LEU 40 Cb 1.02 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.89 3dks h LEU 40 CO -0.14 0.37 -0.77 1.41 0.09 0.00 0.00 178.44 179.39 3dks n HIS 41 N -2.90 -2.22 0.02 1.13 8.25 0.40 -4.88 115.22 115.01 3dks n HIS 41 Ca -0.04 0.92 -0.10 0.00 -0.26 0.00 0.00 57.72 58.24 3dks n HIS 41 Cb 0.72 -4.81 -0.04 0.00 1.12 0.00 0.00 29.99 26.97 3dks n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dks h ILE 42 N -2.02 0.78 -0.06 1.59 1.08 -1.30 -1.38 117.51 116.19 3dks h ILE 42 Ca -0.59 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3dks h ILE 42 Cb 1.35 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 3dks h ILE 42 CO 0.54 0.00 -0.10 0.28 -0.69 0.00 0.00 178.15 178.18 3dks h SER 43 N -0.10 -0.29 -0.70 1.72 0.02 -1.91 0.69 113.55 112.97 3dks h SER 43 Ca 0.06 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3dks h SER 43 Cb 0.18 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3dks h SER 43 CO -0.13 -0.13 0.43 0.44 -1.14 0.00 0.00 176.83 176.30 3dks h ASP 44 N -0.13 0.71 0.25 3.07 3.32 -1.92 -0.43 116.42 121.28 3dks h ASP 44 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3dks h ASP 44 Cb 0.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3dks h ASP 44 CO -0.14 0.49 -0.40 0.78 -1.72 0.00 0.00 179.24 178.24 3dks h ASN 45 N 0.85 0.22 -0.24 6.45 2.35 -0.91 -2.30 115.58 121.99 3dks h ASN 45 Ca 0.28 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3dks h ASN 45 Cb 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3dks h ASN 45 CO -0.11 0.61 -0.12 0.58 -1.65 0.00 0.00 177.43 176.73 3dks h VAL 46 N 0.18 1.30 -0.90 2.81 2.07 -0.41 -3.24 116.25 118.05 3dks h VAL 46 Ca 0.02 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.40 3dks h VAL 46 Cb 0.79 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3dks h VAL 46 CO 0.06 0.37 0.57 0.50 0.02 0.00 0.00 177.57 179.09 3dks h LYS 47 N 0.23 1.03 -0.56 1.57 3.64 -0.94 -2.38 116.57 119.17 3dks h LYS 47 Ca 0.05 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3dks h LYS 47 Cb 0.62 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3dks h LYS 47 CO 0.04 0.68 0.37 0.87 -2.27 0.00 0.00 179.45 179.14 3dks h LYS 48 N 1.06 0.43 -0.01 1.90 1.57 -1.44 -2.42 116.57 117.65 3dks h LYS 48 Ca 0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3dks h LYS 48 Cb 0.12 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3dks h LYS 48 CO -0.16 0.28 -0.29 1.63 -0.57 0.00 0.00 179.45 180.34 3dks n LYS 49 N -4.47 1.25 -3.67 3.15 5.02 -0.91 -4.90 118.16 113.63 3dks n LYS 49 Ca 0.08 -0.92 -0.34 0.00 -2.02 0.00 0.00 58.31 55.12 3dks n LYS 49 Cb 0.31 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3dks n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dks s LEU 50 N -2.38 4.35 0.53 -0.35 1.43 -0.91 -4.82 118.68 116.53 3dks s LEU 50 Ca 0.24 0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 3dks s LEU 50 Cb 0.19 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 3dks s LEU 50 CO 0.50 0.19 1.35 -0.81 0.23 0.00 0.00 176.35 177.80 3dks n PRO 51 N 0.87 1.73 0.04 1.29 -0.04 -1.26 -4.88 135.00 132.75 3dks n PRO 51 Ca -0.08 0.63 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 3dks n PRO 51 Cb 0.52 -2.56 0.37 0.00 -0.04 0.00 0.00 33.50 31.79 3dks n PRO 51 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3dks n GLU 52 N -0.88 0.06 0.11 0.54 0.00 -1.26 -1.17 120.64 118.05 3dks n GLU 52 Ca 0.10 0.31 0.12 0.00 0.00 0.00 0.00 57.16 57.69 3dks n GLU 52 Cb 0.44 -1.62 0.47 0.00 0.00 0.00 0.00 31.44 30.73 3dks n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dks n GLY 53 N -0.02 -1.33 3.47 -1.84 0.00 -1.26 -4.52 105.19 99.69 3dks n GLY 53 Ca 0.03 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3dks n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dks s VAL 54 N -3.26 5.01 0.30 1.61 1.01 -0.32 -5.05 120.40 119.70 3dks s VAL 54 Ca 0.06 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 3dks s VAL 54 Cb 0.10 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 3dks s VAL 54 CO 0.42 -0.58 0.95 -1.59 0.00 0.00 0.00 175.10 174.30 3dks s LYS 55 N 2.31 4.66 -0.13 2.72 0.00 -1.26 -4.86 119.74 123.17 3dks s LYS 55 Ca 0.13 1.39 -0.03 0.00 0.00 0.00 0.00 55.97 57.46 3dks s LYS 55 Cb -0.18 -2.94 -0.03 0.00 0.00 0.00 0.00 37.83 34.67 3dks s LYS 55 CO 0.13 0.34 -0.01 -1.64 0.00 0.00 0.00 175.35 174.17 3dks s MET 56 N -1.79 3.46 -0.02 1.78 -1.94 -1.26 -3.31 119.30 116.21 3dks s MET 56 Ca 0.48 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 3dks s MET 56 Cb -0.21 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 3dks s MET 56 CO 0.27 0.42 -0.24 0.99 -0.01 0.00 0.00 175.02 176.45 3dks s THR 57 N -0.11 1.91 -0.06 2.05 2.01 0.25 -5.01 115.64 116.68 3dks s THR 57 Ca 0.04 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.00 3dks s THR 57 Cb -0.13 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.82 3dks s THR 57 CO 0.02 0.53 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.69 3dks s LYS 58 N -0.59 0.94 0.05 4.92 2.20 -1.26 -0.80 119.74 125.21 3dks s LYS 58 Ca 0.09 -0.10 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 3dks s LYS 58 Cb -0.09 -1.03 -0.03 0.00 -1.51 0.00 0.00 37.83 35.17 3dks s LYS 58 CO -0.01 -0.16 -0.26 0.71 -0.36 0.00 0.00 175.35 175.28 3dks s TYR 59 N 1.29 2.26 0.32 4.03 2.02 -0.08 -4.99 117.35 122.20 3dks s TYR 59 Ca -0.05 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 3dks s TYR 59 Cb -0.14 -1.34 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 3dks s TYR 59 CO -0.02 0.14 0.68 -1.58 -1.57 0.00 0.00 175.55 173.20 3dks s HIS 60 N -0.83 3.42 0.15 2.71 2.46 -1.26 -1.78 115.29 120.16 3dks s HIS 60 Ca 0.11 1.04 0.06 0.00 0.47 0.00 0.00 55.06 56.74 3dks s HIS 60 Cb -0.10 -2.40 -0.04 0.00 -0.13 0.00 0.00 32.58 29.91 3dks s HIS 60 CO 0.02 0.10 0.03 0.14 -2.47 0.00 0.00 174.74 172.56 3dks s VAL 61 N -2.05 3.99 -1.98 0.89 -7.23 0.04 -4.81 120.40 109.25 3dks s VAL 61 Ca 0.51 -1.22 0.16 0.00 -1.81 0.00 0.00 61.98 59.62 3dks s VAL 61 Cb -0.10 -2.98 0.16 0.00 0.56 0.00 0.00 36.38 34.01 3dks s VAL 61 CO 0.23 -0.05 1.05 -0.46 -0.31 0.00 0.00 175.10 175.56 3dks n ASN 62 N 0.01 2.46 -0.93 4.85 0.23 -1.26 -4.61 115.26 116.01 3dks n ASN 62 Ca -0.10 -1.71 -0.01 0.00 -0.53 0.00 0.00 54.58 52.23 3dks n ASN 62 Cb 0.54 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 38.24 3dks n ASN 62 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3dks n PHE 63 N 0.93 0.29 -3.72 -2.53 1.16 -1.26 -4.41 117.46 107.92 3dks n PHE 63 Ca 0.10 -0.41 -0.14 0.00 -1.87 0.00 0.00 57.45 55.13 3dks n PHE 63 Cb 0.42 -0.25 -0.14 0.00 -1.61 0.00 0.00 39.48 37.89 3dks n PHE 63 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3dks s MET 64 N -0.70 0.10 0.00 3.97 1.75 -1.26 -4.89 119.30 118.27 3dks s MET 64 Ca 0.06 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 3dks s MET 64 Cb 0.05 -0.19 0.00 0.00 2.84 0.00 0.00 34.83 37.53 3dks s MET 64 CO 0.01 -0.21 0.00 0.41 -0.65 0.00 0.00 175.02 174.58 3dks n GLY 65 N 4.61 0.42 7.00 2.11 0.00 -1.26 -3.84 105.19 114.23 3dks n GLY 65 Ca -0.19 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3dks n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dks n GLY 66 N -2.96 2.63 0.29 -0.02 0.00 -1.26 -2.44 105.19 101.43 3dks n GLY 66 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.87 3dks n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dks h ASP 67 N 4.10 0.11 0.04 1.61 3.32 -1.92 -0.51 116.42 123.18 3dks h ASP 67 Ca 0.00 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3dks h ASP 67 Cb 0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3dks h ASP 67 CO 0.00 0.08 -0.23 0.25 -1.72 0.00 0.00 179.24 177.62 3dks h LEU 68 N 0.13 0.33 -0.75 1.55 6.46 -1.83 -1.27 115.31 119.94 3dks h LEU 68 Ca 0.07 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 3dks h LEU 68 Cb 0.11 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3dks h LEU 68 CO -0.01 0.58 0.16 1.23 -0.62 0.00 0.00 178.44 179.78 3dks h GLY 69 N 0.97 1.19 1.03 3.75 0.00 -0.84 -0.67 103.07 108.51 3dks h GLY 69 Ca 0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 3dks h GLY 69 CO 0.04 0.70 0.21 0.50 0.00 0.00 0.00 176.54 177.99 3dks h LYS 70 N 1.05 1.05 -0.67 4.80 1.57 -1.19 -1.53 116.57 121.65 3dks h LYS 70 Ca 0.22 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3dks h LYS 70 Cb 0.38 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3dks h LYS 70 CO 0.00 0.91 0.22 -0.44 -0.57 0.00 0.00 179.45 179.57 3dks h ASP 71 N 0.98 0.95 -0.42 0.86 3.32 -0.94 -1.23 116.42 119.93 3dks h ASP 71 Ca 0.22 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3dks h ASP 71 Cb 0.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3dks h ASP 71 CO -0.01 0.87 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.31 3dks h LEU 72 N 0.99 0.80 -0.66 1.55 3.38 -0.92 0.14 115.31 120.60 3dks h LEU 72 Ca 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dks h LEU 72 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dks h LEU 72 CO -0.01 0.87 0.27 0.74 0.09 0.00 0.00 178.44 180.40 3dks h THR 73 N 0.77 1.24 -0.58 0.22 2.02 -0.97 0.96 112.91 116.57 3dks h THR 73 Ca 0.15 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 3dks h THR 73 Cb 0.48 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3dks h THR 73 CO 0.02 0.29 0.06 -0.61 0.37 0.00 0.00 175.52 175.65 3dks h GLN 74 N 0.92 0.98 -0.80 6.66 4.15 -0.91 -1.85 115.11 124.26 3dks h GLN 74 Ca 0.22 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3dks h GLN 74 Cb 0.19 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3dks h GLN 74 CO -0.02 0.95 0.42 0.00 -1.93 0.00 0.00 178.83 178.25 3dks h ALA 75 N 0.99 1.24 -0.28 3.38 0.00 -0.46 -1.19 119.26 122.94 3dks h ALA 75 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3dks h ALA 75 Cb 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dks h ALA 75 CO 0.02 0.61 -0.11 2.35 0.00 0.00 0.00 179.25 182.12 3dks h TRP 76 N 1.12 0.50 -0.53 0.00 2.91 -0.61 0.03 115.95 119.37 3dks h TRP 76 Ca 0.28 -0.07 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 3dks h TRP 76 Cb 0.05 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 3dks h TRP 76 CO 0.01 0.57 0.11 0.00 -1.03 0.00 0.00 178.44 178.10 3dks h ALA 77 N 1.45 0.70 -0.19 2.65 0.00 -0.68 0.29 119.26 123.48 3dks h ALA 77 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3dks h ALA 77 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dks h ALA 77 CO 0.03 0.41 0.03 0.28 0.00 0.00 0.00 179.25 180.00 3dks h VAL 78 N 0.75 0.90 -0.72 0.00 2.07 -0.64 0.85 116.25 119.46 3dks h VAL 78 Ca 0.16 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3dks h VAL 78 Cb 0.36 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3dks h VAL 78 CO 0.01 0.02 0.36 0.00 0.02 0.00 0.00 177.57 177.97 3dks h ALA 79 N 1.14 1.01 -0.16 1.67 0.00 -0.63 0.50 119.26 122.79 3dks h ALA 79 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dks h ALA 79 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dks h ALA 79 CO -0.12 -0.06 -0.11 0.52 0.00 0.00 0.00 179.25 179.48 3dks h MET 80 N 0.59 0.36 -0.92 0.00 2.86 -0.70 0.83 114.93 117.96 3dks h MET 80 Ca 0.36 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3dks h MET 80 Cb 0.40 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 3dks h MET 80 CO -0.28 0.70 0.60 0.00 1.06 0.00 0.00 176.91 178.99 3dks h ALA 81 N 0.66 1.41 -0.01 6.32 0.00 -0.43 -2.61 119.26 124.60 3dks h ALA 81 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dks h ALA 81 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dks h ALA 81 CO 0.03 0.50 -0.56 1.28 0.00 0.00 0.00 179.25 180.49 3dks n LEU 82 N -4.44 1.12 -1.45 0.00 4.77 0.13 -4.98 117.00 112.15 3dks n LEU 82 Ca 0.12 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 3dks n LEU 82 Cb 0.10 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3dks n LEU 82 CO 0.35 0.23 -0.02 0.61 -1.33 0.00 0.00 177.39 177.23 3dks n GLY 83 N 1.44 0.11 0.52 -0.72 0.00 0.07 -4.96 105.19 101.64 3dks n GLY 83 Ca 0.08 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.79 3dks n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dks n VAL 84 N -3.85 2.13 -0.30 1.61 0.24 0.04 -4.75 118.33 113.45 3dks n VAL 84 Ca -0.06 -2.29 0.07 0.00 -2.04 0.00 0.00 64.34 60.02 3dks n VAL 84 Cb 0.56 -0.25 0.23 0.00 -1.47 0.00 0.00 33.84 32.91 3dks n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3dks h GLU 85 N 0.81 0.64 0.00 7.34 3.07 -1.93 -0.54 114.58 123.97 3dks h GLU 85 Ca 0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dks h GLU 85 Cb 1.22 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3dks h GLU 85 CO 0.12 0.42 0.00 -0.25 -1.40 0.00 0.00 179.01 177.90 3dks n ASP 86 N -4.84 0.21 -0.04 1.42 8.00 -1.26 -1.97 116.55 118.07 3dks n ASP 86 Ca 0.17 0.54 -0.06 0.00 0.71 0.00 0.00 54.79 56.15 3dks n ASP 86 Cb 0.43 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 3dks n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dks n LYS 87 N -1.72 0.65 -0.00 -1.24 5.02 -0.24 -4.63 118.16 116.00 3dks n LYS 87 Ca 0.04 0.16 0.06 0.00 -2.02 0.00 0.00 58.31 56.54 3dks n LYS 87 Cb 0.23 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 3dks n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dks n VAL 88 N -2.88 0.00 0.04 -0.18 0.24 -1.01 -4.61 118.33 109.94 3dks n VAL 88 Ca -0.20 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.72 3dks n VAL 88 Cb 1.02 0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 3dks n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3dks h THR 89 N 0.00 1.01 0.46 3.34 2.02 -1.65 -1.26 112.91 116.82 3dks h THR 89 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3dks h THR 89 Cb 0.42 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3dks h THR 89 CO 0.00 0.02 -0.22 0.58 0.37 0.00 0.00 175.52 176.27 3dks h VAL 90 N -0.06 0.51 0.00 3.16 2.07 -1.86 -1.59 116.25 118.48 3dks h VAL 90 Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3dks h VAL 90 Cb 0.05 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3dks h VAL 90 CO 0.00 0.05 -0.05 1.55 0.02 0.00 0.00 177.57 179.14 3dks h PRO 91 N -0.81 0.00 -0.08 1.57 0.13 -1.81 -0.39 132.00 130.61 3dks h PRO 91 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3dks h PRO 91 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3dks h PRO 91 CO 0.10 0.05 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.75 3dks h LEU 92 N 0.00 0.23 -0.31 1.56 3.38 -1.13 0.66 115.31 119.71 3dks h LEU 92 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3dks h LEU 92 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dks h LEU 92 CO 0.01 0.70 0.20 -0.26 0.09 0.00 0.00 178.44 179.17 3dks h PHE 93 N -0.23 0.38 -0.51 1.13 0.04 -0.93 -1.33 116.94 115.49 3dks h PHE 93 Ca 0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3dks h PHE 93 Cb 0.64 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 3dks h PHE 93 CO 0.10 0.23 0.28 0.93 -0.60 0.00 0.00 178.31 179.25 3dks h GLU 94 N 0.41 0.70 -0.74 1.51 4.39 -1.11 -1.78 114.58 117.96 3dks h GLU 94 Ca 0.11 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3dks h GLU 94 Cb -0.04 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 3dks h GLU 94 CO -0.03 0.54 0.22 0.78 -1.16 0.00 0.00 179.01 179.37 3dks h GLY 95 N 0.67 1.25 0.46 -3.84 0.00 -0.67 0.33 103.07 101.28 3dks h GLY 95 Ca 0.18 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3dks h GLY 95 CO -0.03 0.70 -0.20 -2.08 0.00 0.00 0.00 176.54 174.93 3dks h VAL 96 N 1.11 1.53 0.00 4.60 2.07 -1.17 -0.59 116.25 123.80 3dks h VAL 96 Ca 0.24 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.72 3dks h VAL 96 Cb 0.32 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3dks h VAL 96 CO -0.01 0.50 -1.95 0.00 0.02 0.00 0.00 177.57 176.13 3dks n GLN 97 N -4.55 1.28 -0.06 1.57 6.02 -0.68 -4.26 117.38 116.71 3dks n GLN 97 Ca -0.09 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.79 3dks n GLN 97 Cb 0.47 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 3dks n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dks n LYS 98 N -2.43 0.39 0.16 -1.09 4.76 -0.07 -4.67 118.16 115.21 3dks n LYS 98 Ca -0.19 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.52 3dks n LYS 98 Cb 0.84 -1.17 0.14 0.00 -1.84 0.00 0.00 35.03 33.01 3dks n LYS 98 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3dks h THR 99 N -0.73 0.00 -6.36 -0.18 1.35 -1.28 -3.48 112.91 102.23 3dks h THR 99 Ca 0.00 -0.89 -0.48 0.00 -0.55 0.00 0.00 66.41 64.49 3dks h THR 99 Cb 0.73 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.82 3dks h THR 99 CO 0.00 0.00 -0.84 0.00 -0.25 0.00 0.00 175.52 174.43 3dks n GLN 100 N -2.79 -4.13 0.00 4.72 6.02 -1.01 -4.88 117.38 115.31 3dks n GLN 100 Ca 0.03 0.50 0.09 0.00 -0.01 0.00 0.00 57.00 57.61 3dks n GLN 100 Cb 0.52 -4.94 -0.06 0.00 1.02 0.00 0.00 30.24 26.78 3dks n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dks n THR 101 N -4.40 0.00 -3.42 5.09 -2.24 -0.33 -4.82 114.28 104.15 3dks n THR 101 Ca -0.22 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 60.95 3dks n THR 101 Cb 0.64 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.89 3dks n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dks s ILE 102 N -2.46 5.02 0.00 2.28 1.01 -0.59 -4.86 121.20 121.60 3dks s ILE 102 Ca 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3dks s ILE 102 Cb 0.14 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3dks s ILE 102 CO 0.62 -0.60 0.05 0.54 0.00 0.00 0.00 174.94 175.55 3dks n ARG 103 N 5.15 6.12 -3.81 2.79 5.12 -1.26 -4.65 116.66 126.12 3dks n ARG 103 Ca -0.12 -0.05 -0.05 0.00 -1.93 0.00 0.00 57.85 55.70 3dks n ARG 103 Cb 0.43 -0.55 -0.00 0.00 -1.16 0.00 0.00 32.46 31.18 3dks n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3dks s SER 104 N -0.89 -0.15 0.37 0.55 1.04 -1.26 -5.05 113.70 108.32 3dks s SER 104 Ca 0.00 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 55.86 3dks s SER 104 Cb 0.00 0.62 0.74 0.00 0.10 0.00 0.00 66.02 67.48 3dks s SER 104 CO 0.00 -1.18 1.99 0.00 0.98 0.00 0.00 173.24 175.04 3dks h ALA 105 N 2.00 1.67 -0.43 5.32 0.00 -1.97 -2.31 119.26 123.54 3dks h ALA 105 Ca -0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dks h ALA 105 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3dks h ALA 105 CO 0.29 0.26 0.21 0.66 0.00 0.00 0.00 179.25 180.66 3dks h SER 106 N 0.74 0.53 0.04 0.00 4.64 -1.99 -1.52 113.55 115.99 3dks h SER 106 Ca 0.26 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3dks h SER 106 Cb 0.11 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3dks h SER 106 CO -0.07 0.45 -0.38 0.44 -0.87 0.00 0.00 176.83 176.40 3dks h ASP 107 N 0.60 0.46 -0.10 4.97 3.32 -1.76 -2.22 116.42 121.69 3dks h ASP 107 Ca 0.15 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3dks h ASP 107 Cb 0.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3dks h ASP 107 CO -0.02 0.80 0.04 0.40 -1.72 0.00 0.00 179.24 178.74 3dks h ILE 108 N 0.37 1.14 -0.75 0.35 2.04 -1.24 -2.78 117.51 116.64 3dks h ILE 108 Ca 0.04 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 65.63 3dks h ILE 108 Cb 0.83 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 38.06 3dks h ILE 108 CO 0.07 0.13 0.26 -0.09 0.00 0.00 0.00 178.15 178.51 3dks h ARG 109 N 0.01 0.36 -0.36 2.37 2.43 -1.21 -1.21 114.38 116.77 3dks h ARG 109 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3dks h ARG 109 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3dks h ARG 109 CO -0.00 0.24 0.06 0.22 -1.51 0.00 0.00 179.97 178.98 3dks h ASP 110 N 0.37 0.48 -0.58 -3.80 3.58 -1.20 -1.47 116.42 113.81 3dks h ASP 110 Ca 0.42 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 3dks h ASP 110 Cb 0.68 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 3dks h ASP 110 CO -0.45 0.51 0.28 0.58 -2.88 0.00 0.00 179.24 177.28 3dks h VAL 111 N 0.51 1.21 -0.72 2.25 2.07 -0.96 -0.67 116.25 119.93 3dks h VAL 111 Ca 0.12 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3dks h VAL 111 Cb 0.24 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3dks h VAL 111 CO 0.00 0.23 0.21 -0.26 0.02 0.00 0.00 177.57 177.77 3dks h PHE 112 N 0.79 1.18 -0.54 1.57 -1.00 -1.12 -0.93 116.94 116.88 3dks h PHE 112 Ca 0.20 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 3dks h PHE 112 Cb 0.11 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 3dks h PHE 112 CO -0.00 0.94 0.32 0.82 -1.61 0.00 0.00 178.31 178.78 3dks h ILE 113 N 1.07 1.16 0.00 -0.55 2.04 -0.99 -0.12 117.51 120.12 3dks h ILE 113 Ca 0.23 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3dks h ILE 113 Cb 0.33 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3dks h ILE 113 CO -0.00 0.17 -0.10 0.78 0.00 0.00 0.00 178.15 178.99 3dks h ASN 114 N 0.72 0.00 0.62 1.72 2.35 -0.99 -2.35 115.58 117.65 3dks h ASN 114 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3dks h ASN 114 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3dks h ASN 114 CO -0.04 0.10 -0.10 0.00 -1.65 0.00 0.00 177.43 175.75 3dks n ALA 115 N -2.16 2.66 0.00 -0.83 0.00 -0.37 -4.92 120.51 114.90 3dks n ALA 115 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3dks n ALA 115 Cb 0.36 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3dks n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dks n GLY 116 N 1.37 0.90 3.44 0.00 0.00 -0.88 -5.04 105.19 104.98 3dks n GLY 116 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3dks n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dks s ILE 117 N -2.00 4.99 0.55 -0.61 1.09 -0.11 -5.00 121.20 120.11 3dks s ILE 117 Ca 0.00 -0.57 -0.20 0.00 -1.10 0.00 0.00 60.65 58.78 3dks s ILE 117 Cb 0.00 -4.22 -0.07 0.00 -1.06 0.00 0.00 42.46 37.12 3dks s ILE 117 CO 0.00 -0.69 0.97 0.29 -0.10 0.00 0.00 174.94 175.41 3dks n LYS 118 N 5.87 1.05 -0.23 2.79 4.76 -1.26 -3.19 118.16 127.95 3dks n LYS 118 Ca -0.08 0.39 0.03 0.00 -2.87 0.00 0.00 58.31 55.79 3dks n LYS 118 Cb 0.45 -2.13 0.15 0.00 -1.84 0.00 0.00 35.03 31.66 3dks n LYS 118 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3dks h GLY 119 N 0.81 0.90 1.67 0.72 0.00 -1.94 0.49 103.07 105.73 3dks h GLY 119 Ca -0.47 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3dks h GLY 119 CO 0.52 -0.15 -0.34 1.05 0.00 0.00 0.00 176.54 177.62 3dks h GLU 120 N 0.27 0.37 -0.28 4.80 9.09 -1.99 -0.94 114.58 125.91 3dks h GLU 120 Ca 0.37 -0.16 -0.13 0.00 0.05 0.00 0.00 59.36 59.49 3dks h GLU 120 Cb 0.59 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3dks h GLU 120 CO -0.46 0.67 -0.32 1.49 0.05 0.00 0.00 179.01 180.44 3dks h GLU 121 N 0.32 0.71 -0.36 1.06 4.81 -1.67 -1.46 114.58 117.99 3dks h GLU 121 Ca 0.04 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3dks h GLU 121 Cb 0.76 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3dks h GLU 121 CO 0.06 1.01 0.23 -0.92 -0.73 0.00 0.00 179.01 178.66 3dks h TYR 122 N 0.45 0.44 -0.51 0.92 3.20 -0.80 -2.16 116.97 118.52 3dks h TYR 122 Ca 0.04 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 3dks h TYR 122 Cb 0.90 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3dks h TYR 122 CO 0.07 0.27 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.38 3dks h ASP 123 N 0.47 0.92 0.09 -2.11 3.32 -1.10 0.18 116.42 118.19 3dks h ASP 123 Ca 0.13 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.88 3dks h ASP 123 Cb -0.04 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 3dks h ASP 123 CO -0.04 1.03 -0.34 0.00 -1.72 0.00 0.00 179.24 178.17 3dks h ALA 124 N 0.92 -0.56 -0.09 3.45 0.00 -1.24 -1.92 119.26 119.81 3dks h ALA 124 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dks h ALA 124 Cb 0.58 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3dks h ALA 124 CO 0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 179.25 178.34 3dks h ALA 125 N 0.09 0.02 -0.86 0.00 0.00 -1.11 -1.91 119.26 115.48 3dks h ALA 125 Ca 0.04 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3dks h ALA 125 Cb 0.59 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 3dks h ALA 125 CO -0.22 -0.53 0.30 2.35 0.00 0.00 0.00 179.25 181.15 3dks h TRP 126 N -0.07 0.48 -0.18 0.00 2.91 -0.42 -1.01 115.95 117.66 3dks h TRP 126 Ca 0.06 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3dks h TRP 126 Cb 0.16 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3dks h TRP 126 CO -0.18 -0.11 0.00 0.09 -1.03 0.00 0.00 178.44 177.21 3dks n ASN 127 N -5.13 2.15 -4.81 2.65 3.02 -0.74 -4.78 115.26 107.63 3dks n ASN 127 Ca 0.20 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.65 3dks n ASN 127 Cb 0.63 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 3dks n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dks s SER 128 N -1.64 6.32 0.30 6.41 1.04 -0.38 -4.96 113.70 120.79 3dks s SER 128 Ca 0.34 1.83 -0.01 0.00 0.48 0.00 0.00 55.95 58.59 3dks s SER 128 Cb 0.19 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 64.24 3dks s SER 128 CO 0.29 -0.79 1.95 -0.26 0.98 0.00 0.00 173.24 175.40 3dks h PHE 129 N 1.26 1.03 -0.81 5.02 -1.00 -1.91 -2.16 116.94 118.37 3dks h PHE 129 Ca -0.48 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.37 3dks h PHE 129 Cb 1.21 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 40.37 3dks h PHE 129 CO 0.59 0.62 0.50 0.28 -1.61 0.00 0.00 178.31 178.69 3dks h VAL 130 N 1.09 1.08 -0.22 -0.55 2.07 -1.93 -0.20 116.25 117.59 3dks h VAL 130 Ca 0.33 -0.33 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 3dks h VAL 130 Cb -0.03 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3dks h VAL 130 CO -0.09 0.17 -0.65 0.58 0.02 0.00 0.00 177.57 177.61 3dks h VAL 131 N 0.96 1.28 -0.98 2.57 2.07 -1.73 -1.35 116.25 119.08 3dks h VAL 131 Ca 0.34 -1.85 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3dks h VAL 131 Cb 0.08 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3dks h VAL 131 CO -0.14 0.59 0.63 0.11 0.02 0.00 0.00 177.57 178.78 3dks h LYS 132 N 0.58 1.16 -0.32 1.57 1.57 -1.12 -0.27 116.57 119.73 3dks h LYS 132 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3dks h LYS 132 Cb 1.26 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3dks h LYS 132 CO 0.14 0.76 0.03 1.03 -0.57 0.00 0.00 179.45 180.84 3dks h SER 133 N 1.19 0.53 -0.96 0.86 0.87 -0.87 -2.24 113.55 112.94 3dks h SER 133 Ca 0.40 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3dks h SER 133 Cb 0.07 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 3dks h SER 133 CO -0.15 0.68 0.59 -0.07 -0.53 0.00 0.00 176.83 177.35 3dks h LEU 134 N 0.36 1.14 0.18 2.23 4.07 -0.86 0.22 115.31 122.66 3dks h LEU 134 Ca 0.10 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.00 3dks h LEU 134 Cb 0.39 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3dks h LEU 134 CO 0.01 0.87 -0.21 0.58 -1.08 0.00 0.00 178.44 178.60 3dks h VAL 135 N 1.32 0.53 -0.82 1.22 2.07 -0.97 -1.29 116.25 118.31 3dks h VAL 135 Ca 0.34 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.88 3dks h VAL 135 Cb -0.07 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3dks h VAL 135 CO -0.07 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.07 3dks h ALA 136 N 0.29 1.43 -0.42 1.67 0.00 -1.04 -1.53 119.26 119.66 3dks h ALA 136 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dks h ALA 136 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dks h ALA 136 CO -0.07 0.53 0.28 0.37 0.00 0.00 0.00 179.25 180.36 3dks h GLN 137 N 1.10 0.55 -0.46 0.00 4.15 -0.39 0.30 115.11 120.35 3dks h GLN 137 Ca 0.30 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 3dks h GLN 137 Cb -0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 3dks h GLN 137 CO -0.07 0.37 0.20 1.96 -1.93 0.00 0.00 178.83 179.36 3dks h GLN 138 N 0.56 0.68 -0.36 1.69 4.20 -0.78 -1.42 115.11 119.69 3dks h GLN 138 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3dks h GLN 138 Cb -0.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3dks h GLN 138 CO -0.03 0.61 0.18 0.93 -0.67 0.00 0.00 178.83 179.85 3dks h GLU 139 N 0.61 0.51 -0.39 1.46 5.08 -1.14 -2.62 114.58 118.08 3dks h GLU 139 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dks h GLU 139 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dks h GLU 139 CO -0.02 0.44 0.18 -0.22 -1.00 0.00 0.00 179.01 178.40 3dks h LYS 140 N 0.44 0.57 -0.41 2.33 3.64 -0.83 -1.71 116.57 120.60 3dks h LYS 140 Ca 0.12 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3dks h LYS 140 Cb 0.09 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3dks h LYS 140 CO -0.02 0.51 0.22 0.00 -2.27 0.00 0.00 179.45 177.90 3dks h ALA 141 N 1.03 0.51 -0.41 5.00 0.00 -1.24 0.80 119.26 124.96 3dks h ALA 141 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3dks h ALA 141 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dks h ALA 141 CO -0.02 -0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.32 3dks h ALA 142 N 1.20 0.51 -0.45 0.00 0.00 -1.35 -2.77 119.26 116.39 3dks h ALA 142 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3dks h ALA 142 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dks h ALA 142 CO -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.01 3dks h ALA 143 N 1.21 1.17 0.00 0.00 0.00 -0.88 -1.50 119.26 119.26 3dks h ALA 143 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dks h ALA 143 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dks h ALA 143 CO -0.11 0.54 -0.09 -0.44 0.00 0.00 0.00 179.25 179.14 3dks h ASP 144 N 0.69 0.00 -0.39 0.00 3.32 -0.57 -2.11 116.42 117.35 3dks h ASP 144 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3dks h ASP 144 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3dks h ASP 144 CO 0.02 0.09 0.00 1.33 -1.72 0.00 0.00 179.24 178.96 3dks n VAL 145 N -3.44 1.41 -3.86 -1.35 0.24 -1.11 -4.89 118.33 105.35 3dks n VAL 145 Ca -0.01 -1.23 -0.24 0.00 -2.04 0.00 0.00 64.34 60.82 3dks n VAL 145 Cb 0.25 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3dks n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dks n GLN 146 N 0.44 -4.02 -2.30 7.34 3.00 -0.79 -4.88 117.38 116.17 3dks n GLN 146 Ca 0.17 0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 57.24 3dks n GLN 146 Cb 0.61 -4.83 -0.03 0.00 0.00 0.00 0.00 30.24 25.99 3dks n GLN 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3dks s LEU 147 N -6.86 4.39 0.00 1.08 2.96 -0.60 -4.93 118.68 114.72 3dks s LEU 147 Ca 0.04 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 3dks s LEU 147 Cb -0.02 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3dks s LEU 147 CO 0.86 -0.53 0.00 0.54 -1.32 0.00 0.00 176.35 175.90 3dks n ARG 148 N 3.60 2.97 -3.85 1.98 5.12 -1.26 -4.93 116.66 120.29 3dks n ARG 148 Ca 0.09 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 3dks n ARG 148 Cb 0.44 -0.79 -0.02 0.00 -1.16 0.00 0.00 32.46 30.94 3dks n ARG 148 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dks s GLY 149 N -1.57 -0.10 0.18 -0.13 0.00 -1.26 -5.14 107.32 99.30 3dks s GLY 149 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.47 3dks s GLY 149 CO 0.00 -0.08 -0.03 -1.34 0.00 0.00 0.00 173.10 171.65 3dks s VAL 150 N -3.88 0.90 0.60 1.40 -7.23 -1.26 -4.48 120.40 106.46 3dks s VAL 150 Ca 0.11 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 3dks s VAL 150 Cb -0.06 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 3dks s VAL 150 CO 0.07 -0.51 1.12 -2.16 -0.31 0.00 0.00 175.10 173.31 3dks s PRO 151 N -3.86 3.06 -0.01 4.82 0.04 -1.26 -4.83 135.00 132.96 3dks s PRO 151 Ca 0.23 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 3dks s PRO 151 Cb 0.05 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3dks s PRO 151 CO 0.04 -1.06 0.21 0.00 0.04 0.00 0.00 177.00 176.23 3dks s ALA 152 N -2.04 -0.52 -0.02 8.56 0.00 -1.08 -5.00 121.76 121.66 3dks s ALA 152 Ca 0.70 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3dks s ALA 152 Cb -0.22 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3dks s ALA 152 CO 0.34 -0.23 0.01 1.41 0.00 0.00 0.00 175.76 177.30 3dks s MET 153 N -1.31 0.09 0.03 0.00 1.75 -1.26 -0.51 119.30 118.09 3dks s MET 153 Ca -0.14 0.10 0.09 0.00 -1.25 0.00 0.00 55.69 54.49 3dks s MET 153 Cb -0.06 -0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.32 3dks s MET 153 CO 0.03 -0.11 -0.26 -0.06 -0.65 0.00 0.00 175.02 173.97 3dks s PHE 154 N 0.75 2.29 -0.13 4.11 0.40 0.13 -0.91 117.98 124.61 3dks s PHE 154 Ca -0.07 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 3dks s PHE 154 Cb -0.10 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.05 3dks s PHE 154 CO -0.02 0.10 -0.20 0.08 0.70 0.00 0.00 175.22 175.87 3dks s VAL 155 N -0.77 2.28 -1.47 -0.44 1.01 -0.43 -0.13 120.40 120.45 3dks s VAL 155 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3dks s VAL 155 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3dks s VAL 155 CO 0.02 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.25 3dks n ASN 156 N 3.83 -4.63 -1.37 3.32 3.02 0.12 -1.13 115.26 118.42 3dks n ASN 156 Ca -0.19 0.19 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 3dks n ASN 156 Cb 0.52 -3.97 -0.07 0.00 -0.61 0.00 0.00 39.78 35.65 3dks n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dks n GLY 157 N -0.72 1.47 0.00 7.41 0.00 -1.26 -4.79 105.19 107.29 3dks n GLY 157 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3dks n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dks n LYS 158 N -1.88 2.37 -4.30 1.61 4.76 -0.29 -0.77 118.16 119.66 3dks n LYS 158 Ca -0.15 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.06 3dks n LYS 158 Cb 0.54 -0.96 -0.13 0.00 -1.84 0.00 0.00 35.03 32.64 3dks n LYS 158 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3dks s TYR 159 N -1.91 1.66 -0.07 2.13 2.02 -0.96 -1.15 117.35 119.07 3dks s TYR 159 Ca 0.00 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 3dks s TYR 159 Cb 0.00 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3dks s TYR 159 CO 0.00 0.16 -0.23 -1.14 -1.57 0.00 0.00 175.55 172.76 3dks s GLN 160 N -1.77 2.75 0.44 -0.62 0.74 0.16 -1.31 119.66 120.05 3dks s GLN 160 Ca 0.05 -0.87 -0.25 0.00 0.05 0.00 0.00 55.36 54.33 3dks s GLN 160 Cb -0.10 -2.24 -0.08 0.00 1.10 0.00 0.00 33.01 31.69 3dks s GLN 160 CO 0.03 0.32 1.33 -0.51 -0.55 0.00 0.00 175.29 175.91 3dks s LEU 161 N -0.01 4.12 -0.62 3.68 2.01 -0.09 -0.27 118.68 127.50 3dks s LEU 161 Ca -0.08 2.70 0.05 0.00 0.01 0.00 0.00 54.13 56.81 3dks s LEU 161 Cb -0.15 -4.00 0.18 0.00 0.01 0.00 0.00 46.19 42.23 3dks s LEU 161 CO 0.05 -1.04 0.48 -3.20 1.01 0.00 0.00 176.35 173.66 3dks n ASN 162 N -0.18 2.14 0.20 2.29 5.15 -0.01 -4.77 115.26 120.09 3dks n ASN 162 Ca 0.05 -3.01 0.12 0.00 -0.60 0.00 0.00 54.58 51.14 3dks n ASN 162 Cb 0.44 -0.70 0.69 0.00 -0.53 0.00 0.00 39.78 39.68 3dks n ASN 162 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3dks h PRO 163 N 5.28 0.00 0.00 1.20 0.13 -1.87 -1.48 132.00 135.26 3dks h PRO 163 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3dks h PRO 163 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 3dks h PRO 163 CO 0.64 0.00 -0.08 -0.56 -0.23 0.00 0.00 178.00 177.77 3dks h GLN 164 N 0.00 0.00 -0.43 0.86 3.07 -1.93 -1.76 115.11 114.93 3dks h GLN 164 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 3dks h GLN 164 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 3dks h GLN 164 CO -0.00 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.40 3dks n GLY 165 N -0.92 0.99 3.75 0.06 0.00 -0.56 -4.92 105.19 103.60 3dks n GLY 165 Ca -0.02 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3dks n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dks s MET 166 N -1.49 2.35 -0.42 1.61 -1.94 -0.66 -4.25 119.30 114.50 3dks s MET 166 Ca 0.27 -1.64 -0.29 0.00 -1.71 0.00 0.00 55.69 52.33 3dks s MET 166 Cb 0.15 -2.14 0.02 0.00 2.01 0.00 0.00 34.83 34.86 3dks s MET 166 CO 0.18 -0.00 1.32 0.16 -0.01 0.00 0.00 175.02 176.66 3dks s ASP 167 N -3.90 6.46 -0.10 3.03 -4.77 -1.26 -4.88 116.67 111.25 3dks s ASP 167 Ca 0.40 0.75 0.14 0.00 -3.30 0.00 0.00 52.55 50.55 3dks s ASP 167 Cb -0.01 -2.54 0.46 0.00 -1.09 0.00 0.00 42.92 39.74 3dks s ASP 167 CO 0.23 -1.34 1.38 0.35 0.70 0.00 0.00 175.17 176.49 3dks n THR 168 N 6.92 1.72 0.12 2.11 -2.24 -1.26 -3.67 114.28 117.98 3dks n THR 168 Ca 0.15 -1.45 -0.24 0.00 -2.27 0.00 0.00 64.05 60.24 3dks n THR 168 Cb 0.48 0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 3dks n THR 168 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3dks h SER 169 N 2.13 0.76 -3.38 3.42 0.02 -2.01 -3.43 113.55 111.05 3dks h SER 169 Ca 0.00 -0.93 -0.66 0.00 -0.84 0.00 0.00 61.79 59.37 3dks h SER 169 Cb 1.16 -0.25 -0.27 0.00 0.14 0.00 0.00 62.40 63.18 3dks h SER 169 CO 0.14 1.71 -0.73 0.21 -1.14 0.00 0.00 176.83 177.02 3dks s ASN 170 N -7.47 4.28 0.19 3.07 3.84 -1.26 -5.02 114.94 112.58 3dks s ASN 170 Ca -0.11 -0.37 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 3dks s ASN 170 Cb 0.04 -1.72 0.12 0.00 -0.55 0.00 0.00 41.25 39.14 3dks s ASN 170 CO 0.91 0.01 1.49 0.24 -2.79 0.00 0.00 177.10 176.97 3dks h MET 171 N 7.88 0.46 -0.74 0.43 2.86 -1.89 0.52 114.93 124.45 3dks h MET 171 Ca -0.39 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 56.92 3dks h MET 171 Cb 1.17 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 3dks h MET 171 CO 0.60 0.93 0.40 -0.44 1.06 0.00 0.00 176.91 179.46 3dks h ASP 172 N 0.34 0.92 -0.40 1.22 5.19 -1.96 -1.59 116.42 120.13 3dks h ASP 172 Ca -0.01 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.21 3dks h ASP 172 Cb 1.16 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 3dks h ASP 172 CO 0.11 0.76 -0.12 0.58 -3.12 0.00 0.00 179.24 177.45 3dks h VAL 173 N 1.02 1.28 -0.25 -1.35 2.07 -1.86 -2.57 116.25 114.58 3dks h VAL 173 Ca 0.26 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.60 3dks h VAL 173 Cb 0.04 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3dks h VAL 173 CO -0.04 0.41 0.05 0.15 0.02 0.00 0.00 177.57 178.15 3dks h PHE 174 N 0.59 0.08 -0.56 1.57 3.57 -0.71 0.30 116.94 121.77 3dks h PHE 174 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3dks h PHE 174 Cb 0.65 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3dks h PHE 174 CO 0.05 0.02 0.32 0.28 -2.23 0.00 0.00 178.31 176.75 3dks h VAL 175 N 0.14 1.17 -0.49 1.41 2.07 -1.29 0.13 116.25 119.40 3dks h VAL 175 Ca 0.12 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3dks h VAL 175 Cb 0.12 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3dks h VAL 175 CO -0.16 0.18 0.19 1.56 0.02 0.00 0.00 177.57 179.36 3dks h GLN 176 N 0.75 0.73 -0.58 1.57 1.08 -1.24 -1.75 115.11 115.68 3dks h GLN 176 Ca 0.20 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 3dks h GLN 176 Cb 0.01 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 3dks h GLN 176 CO -0.03 0.66 0.13 0.37 -0.95 0.00 0.00 178.83 179.01 3dks h GLN 177 N 0.65 0.91 0.21 1.46 4.15 -0.56 0.13 115.11 122.06 3dks h GLN 177 Ca 0.16 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3dks h GLN 177 Cb 0.21 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3dks h GLN 177 CO -0.01 0.82 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.69 3dks h TYR 178 N 0.87 -0.27 -0.67 3.99 5.03 -0.56 -1.56 116.97 123.79 3dks h TYR 178 Ca 0.19 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 3dks h TYR 178 Cb 0.33 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.67 3dks h TYR 178 CO 0.02 0.02 0.32 0.00 -1.32 0.00 0.00 178.16 177.20 3dks h ALA 179 N 0.16 0.87 -0.48 1.82 0.00 -1.28 -2.16 119.26 118.18 3dks h ALA 179 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3dks h ALA 179 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dks h ALA 179 CO 0.05 0.44 0.19 -0.44 0.00 0.00 0.00 179.25 179.49 3dks h ASP 180 N 0.93 0.63 -0.49 0.00 3.32 -0.97 -1.92 116.42 117.91 3dks h ASP 180 Ca 0.23 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3dks h ASP 180 Cb 0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3dks h ASP 180 CO -0.03 0.57 0.07 0.74 -1.72 0.00 0.00 179.24 178.87 3dks h THR 181 N 0.69 1.25 -0.42 0.35 2.02 -0.87 -1.46 112.91 114.47 3dks h THR 181 Ca 0.17 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3dks h THR 181 Cb 0.14 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3dks h THR 181 CO -0.02 0.34 0.23 0.58 0.37 0.00 0.00 175.52 177.02 3dks h VAL 182 N 0.69 1.15 -0.15 3.16 2.07 -1.10 -1.70 116.25 120.37 3dks h VAL 182 Ca 0.15 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3dks h VAL 182 Cb 0.41 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3dks h VAL 182 CO 0.01 0.16 -0.24 0.50 0.02 0.00 0.00 177.57 178.02 3dks h LYS 183 N 0.55 -0.28 -0.80 1.57 3.64 -1.25 -0.27 116.57 119.73 3dks h LYS 183 Ca 0.15 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3dks h LYS 183 Cb 0.05 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3dks h LYS 183 CO -0.02 -0.19 0.52 -0.92 -2.27 0.00 0.00 179.45 176.57 3dks h TYR 184 N -0.29 0.98 -0.00 1.91 3.20 -1.05 0.19 116.97 121.91 3dks h TYR 184 Ca 0.11 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 3dks h TYR 184 Cb 0.45 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3dks h TYR 184 CO -0.35 0.58 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.10 3dks h LEU 185 N 1.03 0.01 0.25 2.82 3.38 -1.05 -3.25 115.31 118.50 3dks h LEU 185 Ca 0.31 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.94 3dks h LEU 185 Cb -0.04 -0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.74 3dks h LEU 185 CO -0.09 0.59 -1.50 0.77 0.09 0.00 0.00 178.44 178.30 3dks h SER 186 N 0.00 0.83 0.00 -0.43 4.64 -0.48 -3.31 113.55 114.81 3dks h SER 186 Ca -0.01 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 3dks h SER 186 Cb 1.04 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dks h SER 186 CO 0.08 1.71 0.00 -0.62 -0.87 0.00 0.00 176.83 177.13 3dks n GLU 187 N -3.71 0.18 0.00 4.77 1.02 0.62 -5.09 120.64 118.44 3dks n GLU 187 Ca -0.17 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.98 3dks n GLU 187 Cb 1.10 -1.46 0.06 0.00 -0.02 0.00 0.00 31.44 31.12 3dks n GLU 187 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40