#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dks s TYR 3 N 0.00 1.91 -0.06 3.69 2.02 -1.26 -4.85 117.35 118.80 3dks s TYR 3 Ca 0.00 0.42 0.05 0.00 -0.37 0.00 0.00 57.07 57.17 3dks s TYR 3 Cb 0.00 -4.26 -0.02 0.00 -0.40 0.00 0.00 41.96 37.28 3dks s TYR 3 CO 0.00 -2.13 -0.21 -1.21 -1.57 0.00 0.00 175.55 170.43 3dks s GLU 4 N 6.55 2.55 0.13 -0.62 8.01 -1.26 -5.06 118.70 129.00 3dks s GLU 4 Ca 0.58 -0.83 -0.33 0.00 0.01 0.00 0.00 54.97 54.40 3dks s GLU 4 Cb -0.09 -2.25 -0.13 0.00 -4.31 0.00 0.00 34.13 27.35 3dks s GLU 4 CO 0.13 0.45 1.70 -3.47 0.01 0.00 0.00 175.26 174.08 3dks n ASP 5 N 2.77 3.51 0.00 -0.19 2.03 -1.26 -1.09 116.55 122.31 3dks n ASP 5 Ca -0.17 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.18 3dks n ASP 5 Cb 0.52 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 3dks n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dks n GLY 6 N 3.82 3.31 0.00 0.27 0.00 0.19 -4.96 105.19 107.82 3dks n GLY 6 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.49 0.00 0.12 1.61 -0.00 -0.25 -4.71 118.16 113.43 3dks n LYS 7 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 3dks n LYS 7 Cb 0.00 -0.15 0.28 0.00 -0.00 0.00 0.00 35.03 35.15 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 -3.51 -1.58 7.50 -1.79 -3.31 115.11 112.42 3dks h GLN 8 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 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 -0.07 1.52 -1.50 0.00 0.00 178.83 178.78 3dks s TYR 9 N -3.15 0.12 0.18 2.96 1.13 -1.26 -0.40 117.35 116.94 3dks s TYR 9 Ca 0.08 -0.48 0.07 0.00 -1.41 0.00 0.00 57.07 55.33 3dks s TYR 9 Cb 0.11 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 41.18 3dks s TYR 9 CO 0.65 -0.92 -0.14 0.95 -2.51 0.00 0.00 175.55 173.59 3dks s THR 10 N -3.94 1.60 -0.11 -3.49 -4.23 0.69 0.57 115.64 106.74 3dks s THR 10 Ca 0.15 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 3dks s THR 10 Cb -0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 3dks s THR 10 CO 0.02 -0.59 0.07 -0.89 -0.54 0.00 0.00 174.62 172.68 3dks s THR 11 N -2.92 4.86 0.07 3.99 2.01 -1.26 -0.53 115.64 121.86 3dks s THR 11 Ca 0.20 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 3dks s THR 11 Cb -0.01 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 3dks s THR 11 CO 0.05 0.59 1.18 -0.76 -0.69 0.00 0.00 174.62 175.00 3dks s LEU 12 N -0.78 4.38 0.26 4.42 1.43 0.14 -4.93 118.68 123.60 3dks s LEU 12 Ca 0.13 2.01 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 3dks s LEU 12 Cb -0.12 -3.58 0.30 0.00 0.03 0.00 0.00 46.19 42.82 3dks s LEU 12 CO 0.03 -0.45 1.90 -0.33 0.23 0.00 0.00 176.35 177.73 3dks h GLU 13 N 6.68 1.21 -3.31 1.70 5.08 -1.98 -3.34 114.58 120.63 3dks h GLU 13 Ca -0.42 -0.11 -0.66 0.00 -1.00 0.00 0.00 59.36 57.17 3dks h GLU 13 Cb 1.21 -0.25 -0.39 0.00 0.50 0.00 0.00 28.75 29.82 3dks h GLU 13 CO 0.80 0.85 -0.43 0.15 -1.00 0.00 0.00 179.01 179.38 3dks s LYS 14 N -5.89 2.56 0.64 2.33 1.02 -1.26 -5.09 119.74 114.05 3dks s LYS 14 Ca -0.12 -3.00 -0.18 0.00 0.02 0.00 0.00 55.97 52.69 3dks s LYS 14 Cb 0.17 -3.59 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3dks s LYS 14 CO 0.82 -1.22 1.18 -0.35 -0.92 0.00 0.00 175.35 174.86 3dks n PRO 15 N 2.63 1.01 -3.64 -1.68 -0.04 -1.25 -4.95 135.00 127.07 3dks n PRO 15 Ca 0.14 0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 63.62 3dks n PRO 15 Cb 0.35 -2.41 -0.12 0.00 -0.04 0.00 0.00 33.50 31.28 3dks n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dks s VAL 16 N -1.45 4.81 0.22 0.52 1.01 -0.27 -5.03 120.40 120.21 3dks s VAL 16 Ca 0.81 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3dks s VAL 16 Cb -0.39 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3dks s VAL 16 CO 0.42 0.16 1.15 0.00 0.00 0.00 0.00 175.10 176.83 3dks s ALA 17 N 1.66 3.42 -0.25 5.51 0.00 -1.26 -3.65 121.76 127.20 3dks s ALA 17 Ca 0.06 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3dks s ALA 17 Cb -0.16 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3dks s ALA 17 CO 0.07 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3dks n GLY 18 N 1.73 0.51 3.75 0.00 0.00 -1.26 -5.01 105.19 104.92 3dks n GLY 18 Ca 0.02 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.81 2.32 0.58 4.61 0.00 -1.24 -4.99 121.76 121.23 3dks s ALA 19 Ca 0.00 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 3dks s ALA 19 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3dks s ALA 19 CO 0.00 -1.53 1.13 -2.30 0.00 0.00 0.00 175.76 173.06 3dks n PRO 20 N -2.66 1.19 -0.06 0.00 -0.02 -1.26 -4.74 135.00 127.45 3dks n PRO 20 Ca 0.11 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3dks n PRO 20 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.85 0.21 -4.27 -0.52 4.20 -1.91 -3.34 115.11 110.32 3dks h GLN 21 Ca -0.49 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.64 3dks h GLN 21 Cb 1.34 -0.05 -0.38 0.00 0.30 0.00 0.00 27.48 28.70 3dks h GLN 21 CO 0.53 0.14 -0.80 0.08 -0.67 0.00 0.00 178.83 178.11 3dks s VAL 22 N -6.17 1.25 -0.17 -0.54 1.01 -1.25 -0.48 120.40 114.05 3dks s VAL 22 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3dks s VAL 22 Cb 0.10 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 35.10 3dks s VAL 22 CO 0.69 0.14 -0.14 -0.22 0.00 0.00 0.00 175.10 175.57 3dks s LEU 23 N 1.57 2.00 -0.11 3.92 0.20 0.42 -0.96 118.68 125.72 3dks s LEU 23 Ca 0.00 -0.66 -0.02 0.00 0.69 0.00 0.00 54.13 54.15 3dks s LEU 23 Cb -0.15 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.30 3dks s LEU 23 CO -0.08 -0.07 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.17 3dks s GLU 24 N 1.41 3.17 0.01 1.98 2.12 0.05 0.05 118.70 127.48 3dks s GLU 24 Ca 0.03 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.90 3dks s GLU 24 Cb -0.14 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3dks s GLU 24 CO -0.10 0.51 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.95 3dks s PHE 25 N -0.36 2.76 0.25 5.30 0.08 0.15 -0.75 117.98 125.41 3dks s PHE 25 Ca 0.06 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 3dks s PHE 25 Cb -0.12 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3dks s PHE 25 CO 0.02 0.31 0.46 -0.59 -0.10 0.00 0.00 175.22 175.33 3dks s PHE 26 N -0.94 0.45 -0.02 0.36 -0.71 -0.51 -2.63 117.98 113.99 3dks s PHE 26 Ca 0.16 -0.81 0.01 0.00 -1.04 0.00 0.00 56.93 55.25 3dks s PHE 26 Cb -0.11 0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.85 3dks s PHE 26 CO 0.06 -0.99 -0.02 0.45 -1.34 0.00 0.00 175.22 173.37 3dks s SER 27 N -3.04 0.43 0.40 1.98 0.15 -1.26 -0.63 113.70 111.72 3dks s SER 27 Ca 0.24 -0.05 0.27 0.00 0.70 0.00 0.00 55.95 57.11 3dks s SER 27 Cb -0.00 -0.15 1.43 0.00 -1.71 0.00 0.00 66.02 65.60 3dks s SER 27 CO 0.10 -0.03 1.84 -0.26 1.20 0.00 0.00 173.24 176.09 3dks h PHE 28 N 6.65 0.00 0.00 3.44 0.04 -1.96 -2.45 116.94 122.66 3dks h PHE 28 Ca -0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.42 3dks h PHE 28 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3dks h PHE 28 CO 0.46 0.00 -0.55 0.74 -0.60 0.00 0.00 178.31 178.36 3dks h PHE 29 N 0.00 0.00 -3.45 -0.55 0.04 -1.95 -3.43 116.94 107.61 3dks h PHE 29 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 3dks h PHE 29 Cb 0.07 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.12 3dks h PHE 29 CO 0.00 0.00 0.46 0.00 -0.60 0.00 0.00 178.31 178.17 3dks h PRO 31 N 8.23 0.50 -0.34 0.00 0.11 -1.90 -1.16 132.00 137.45 3dks h PRO 31 Ca -0.24 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3dks h PRO 31 Cb 1.09 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3dks h PRO 31 CO 0.92 0.33 -0.21 1.25 -0.21 0.00 0.00 178.00 180.07 3dks h HIS 32 N 0.52 0.72 -0.45 0.65 2.76 -1.92 -1.58 115.15 115.84 3dks h HIS 32 Ca 0.19 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3dks h HIS 32 Cb 0.11 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3dks h HIS 32 CO -0.00 0.80 -0.12 0.00 -1.30 0.00 0.00 177.93 177.31 3dks h TYR 34 N 0.75 0.31 -0.21 0.00 5.03 -0.98 -0.41 116.97 121.45 3dks h TYR 34 Ca 0.12 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.50 3dks h TYR 34 Cb 0.63 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.76 3dks h TYR 34 CO 0.03 0.17 -0.16 0.37 -1.32 0.00 0.00 178.16 177.26 3dks h GLN 35 N 0.34 -0.15 -0.93 1.82 5.75 -1.16 0.24 115.11 121.02 3dks h GLN 35 Ca 0.13 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3dks h GLN 35 Cb 0.03 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3dks h GLN 35 CO -0.08 -0.10 0.60 0.74 -2.65 0.00 0.00 178.83 177.34 3dks h PHE 36 N -0.16 1.09 0.00 3.99 -1.00 -0.90 -1.43 116.94 118.54 3dks h PHE 36 Ca 0.12 0.03 -0.27 0.00 2.81 0.00 0.00 57.97 60.67 3dks h PHE 36 Cb 0.34 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 3dks h PHE 36 CO -0.31 0.58 -1.45 -1.91 -1.61 0.00 0.00 178.31 173.61 3dks n GLU 37 N -4.48 0.57 0.02 1.51 4.07 -0.19 -1.46 120.64 120.67 3dks n GLU 37 Ca 0.14 0.53 -0.08 0.00 -0.06 0.00 0.00 57.16 57.69 3dks n GLU 37 Cb 0.18 -1.71 -0.13 0.00 -0.06 0.00 0.00 31.44 29.71 3dks n GLU 37 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3dks h GLU 38 N -0.99 0.00 0.00 5.31 4.39 -0.63 -3.15 114.58 119.52 3dks h GLU 38 Ca -0.40 -0.01 -0.41 0.00 0.34 0.00 0.00 59.36 58.88 3dks h GLU 38 Cb 1.35 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.94 3dks h GLU 38 CO -0.24 0.78 -2.38 0.28 -1.16 0.00 0.00 179.01 176.28 3dks n VAL 39 N -3.22 1.36 0.03 3.13 0.31 -1.01 -4.68 118.33 114.25 3dks n VAL 39 Ca -0.08 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 3dks n VAL 39 Cb 0.99 -1.78 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.79 0.00 -1.60 7.52 3.38 -1.40 -3.49 115.31 118.94 3dks h LEU 40 Ca -0.62 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 56.89 3dks h LEU 40 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 3dks h LEU 40 CO -0.35 0.62 -0.83 1.41 0.09 0.00 0.00 178.44 179.38 3dks n HIS 41 N -2.93 -1.92 0.11 1.13 8.25 -0.67 -4.92 115.22 114.27 3dks n HIS 41 Ca -0.09 0.83 -0.13 0.00 -0.26 0.00 0.00 57.72 58.07 3dks n HIS 41 Cb 0.85 -4.07 -0.06 0.00 1.12 0.00 0.00 29.99 27.84 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 -1.89 0.40 -0.44 1.59 1.08 -1.52 -2.64 117.51 114.10 3dks h ILE 42 Ca -0.61 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 3dks h ILE 42 Cb 1.37 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 35.43 3dks h ILE 42 CO 0.61 0.00 -0.23 0.28 -0.69 0.00 0.00 178.15 178.12 3dks h SER 43 N -0.48 -0.78 -0.62 1.72 0.02 -1.91 -0.52 113.55 110.98 3dks h SER 43 Ca 0.03 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.24 3dks h SER 43 Cb 0.51 0.41 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3dks h SER 43 CO -0.16 -0.25 0.27 0.44 -1.14 0.00 0.00 176.83 175.98 3dks h ASP 44 N -0.14 0.33 0.52 3.07 3.45 -1.91 -1.11 116.42 120.62 3dks h ASP 44 Ca 0.21 0.06 -0.18 0.00 0.43 0.00 0.00 57.03 57.55 3dks h ASP 44 Cb 0.47 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3dks h ASP 44 CO -0.53 0.20 -0.79 0.78 -1.57 0.00 0.00 179.24 177.33 3dks h ASN 45 N 0.49 0.26 0.15 6.45 2.35 -1.06 -1.88 115.58 122.34 3dks h ASN 45 Ca 0.30 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3dks h ASN 45 Cb 0.32 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3dks h ASN 45 CO -0.26 0.95 -0.07 0.58 -1.65 0.00 0.00 177.43 176.97 3dks h VAL 46 N 0.13 0.90 -0.62 2.81 2.07 -0.92 -3.06 116.25 117.56 3dks h VAL 46 Ca -0.03 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.38 3dks h VAL 46 Cb 1.39 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3dks h VAL 46 CO 0.12 0.05 0.15 0.50 0.02 0.00 0.00 177.57 178.41 3dks h LYS 47 N -0.31 0.27 -0.40 1.57 1.63 -1.05 -0.98 116.57 117.31 3dks h LYS 47 Ca -0.02 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3dks h LYS 47 Cb 0.24 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3dks h LYS 47 CO 0.03 0.18 0.28 0.87 -3.45 0.00 0.00 179.45 177.36 3dks h LYS 48 N 0.28 0.15 -0.01 1.90 1.57 -1.29 -2.31 116.57 116.86 3dks h LYS 48 Ca 0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3dks h LYS 48 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3dks h LYS 48 CO -0.40 0.10 -0.44 1.63 -0.57 0.00 0.00 179.45 179.77 3dks n LYS 49 N -4.46 1.02 -2.35 3.15 5.02 -0.43 -4.95 118.16 115.17 3dks n LYS 49 Ca 0.06 -0.78 -0.39 0.00 -2.02 0.00 0.00 58.31 55.17 3dks n LYS 49 Cb 0.36 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.52 4.38 0.41 -0.35 1.43 -0.86 -4.82 118.68 116.35 3dks s LEU 50 Ca 0.20 2.37 -0.26 0.00 -1.03 0.00 0.00 54.13 55.40 3dks s LEU 50 Cb 0.18 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 3dks s LEU 50 CO 0.57 -0.42 1.31 -0.81 0.23 0.00 0.00 176.35 177.22 3dks n PRO 51 N 0.65 2.04 -0.40 1.29 -0.04 -1.26 -4.88 135.00 132.40 3dks n PRO 51 Ca 0.01 0.72 0.34 0.00 -0.04 0.00 0.00 63.50 64.54 3dks n PRO 51 Cb 0.45 -2.43 0.67 0.00 -0.04 0.00 0.00 33.50 32.15 3dks n PRO 51 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3dks h GLU 52 N 2.22 0.13 -0.99 0.54 9.09 -1.96 -0.71 114.58 122.89 3dks h GLU 52 Ca -0.48 -0.01 -0.37 0.00 0.05 0.00 0.00 59.36 58.55 3dks h GLU 52 Cb 1.29 -0.03 -0.22 0.00 -1.65 0.00 0.00 28.75 28.13 3dks h GLU 52 CO 0.61 0.09 0.47 0.41 0.05 0.00 0.00 179.01 180.64 3dks n GLY 53 N -1.64 3.81 2.99 1.06 0.00 -1.26 -4.87 105.19 105.28 3dks n GLY 53 Ca 0.30 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.41 1.27 0.01 1.61 1.01 -0.28 -5.14 120.40 116.48 3dks s VAL 54 Ca 0.42 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3dks s VAL 54 Cb 0.35 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3dks s VAL 54 CO 0.08 0.40 0.14 -1.59 0.00 0.00 0.00 175.10 174.13 3dks s LYS 55 N 1.24 3.26 -0.12 2.72 0.00 -1.26 -4.86 119.74 120.72 3dks s LYS 55 Ca -0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 55.97 55.43 3dks s LYS 55 Cb -0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 37.83 34.67 3dks s LYS 55 CO -0.04 0.65 0.18 -1.64 0.00 0.00 0.00 175.35 174.49 3dks s MET 56 N -2.00 3.69 -0.06 1.78 -1.94 -1.26 -3.74 119.30 115.77 3dks s MET 56 Ca 0.27 -0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.24 3dks s MET 56 Cb -0.12 -3.25 -0.01 0.00 2.01 0.00 0.00 34.83 33.45 3dks s MET 56 CO 0.19 0.64 -0.24 0.99 -0.01 0.00 0.00 175.02 176.58 3dks s THR 57 N -0.66 2.11 -0.09 2.05 2.01 -0.13 -5.03 115.64 115.90 3dks s THR 57 Ca 0.15 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3dks s THR 57 Cb -0.12 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.64 3dks s THR 57 CO 0.04 0.57 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.70 3dks s LYS 58 N -0.13 1.46 0.04 4.92 2.20 -1.26 -0.77 119.74 126.21 3dks s LYS 58 Ca -0.05 -0.28 0.08 0.00 -0.36 0.00 0.00 55.97 55.37 3dks s LYS 58 Cb -0.14 -1.41 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 3dks s LYS 58 CO 0.04 -0.14 -0.22 0.71 -0.36 0.00 0.00 175.35 175.38 3dks s TYR 59 N 1.26 2.44 0.24 4.03 2.02 0.07 -4.98 117.35 122.43 3dks s TYR 59 Ca -0.04 -0.33 -0.17 0.00 -0.37 0.00 0.00 57.07 56.16 3dks s TYR 59 Cb -0.14 -1.43 -0.08 0.00 -0.40 0.00 0.00 41.96 39.91 3dks s TYR 59 CO -0.03 0.19 0.70 -1.58 -1.57 0.00 0.00 175.55 173.26 3dks s HIS 60 N -0.86 3.55 0.14 2.71 2.46 -1.26 -1.42 115.29 120.61 3dks s HIS 60 Ca 0.13 1.28 0.09 0.00 0.47 0.00 0.00 55.06 57.03 3dks s HIS 60 Cb -0.10 -2.55 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 3dks s HIS 60 CO 0.03 0.27 -0.16 0.14 -2.47 0.00 0.00 174.74 172.56 3dks s VAL 61 N -1.66 2.90 -0.12 0.89 -7.23 0.19 -4.81 120.40 110.56 3dks s VAL 61 Ca 0.46 -1.58 0.17 0.00 -1.81 0.00 0.00 61.98 59.22 3dks s VAL 61 Cb -0.14 -2.36 0.27 0.00 0.56 0.00 0.00 36.38 34.70 3dks s VAL 61 CO 0.20 0.03 1.14 -0.46 -0.31 0.00 0.00 175.10 175.70 3dks n ASN 62 N 0.57 2.34 0.08 4.85 0.23 -1.26 -4.67 115.26 117.41 3dks n ASN 62 Ca -0.14 -2.98 0.11 0.00 -0.53 0.00 0.00 54.58 51.03 3dks n ASN 62 Cb 0.54 -0.39 0.44 0.00 -2.08 0.00 0.00 39.78 38.28 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 -1.33 0.54 -4.55 -2.53 1.16 -1.26 -4.57 117.46 104.92 3dks n PHE 63 Ca 0.15 0.20 -0.30 0.00 -1.87 0.00 0.00 57.45 55.63 3dks n PHE 63 Cb 0.61 -0.83 -0.13 0.00 -1.61 0.00 0.00 39.48 37.52 3dks n PHE 63 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3dks s MET 64 N -3.18 1.70 0.00 3.97 0.23 -1.26 -4.80 119.30 115.95 3dks s MET 64 Ca 0.06 -1.19 0.00 0.00 -1.03 0.00 0.00 55.69 53.53 3dks s MET 64 Cb 0.10 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.38 3dks s MET 64 CO 0.38 0.49 0.00 0.41 -2.03 0.00 0.00 175.02 174.27 3dks n GLY 65 N 1.21 0.48 7.00 3.16 0.00 -1.26 -4.41 105.19 111.36 3dks n GLY 65 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.71 0.30 -0.02 0.00 -1.26 -2.70 105.19 102.23 3dks n GLY 66 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 4.36 0.74 0.21 1.61 3.32 -1.94 -2.01 116.42 122.71 3dks h ASP 67 Ca 0.00 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 3dks h ASP 67 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3dks h ASP 67 CO 0.00 0.71 -0.45 0.25 -1.72 0.00 0.00 179.24 178.03 3dks h LEU 68 N 0.78 0.31 -0.88 1.55 5.85 -1.91 -1.48 115.31 119.53 3dks h LEU 68 Ca 0.18 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3dks h LEU 68 Cb 0.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3dks h LEU 68 CO -0.01 0.73 0.57 1.23 -0.34 0.00 0.00 178.44 180.62 3dks h GLY 69 N 1.25 1.29 0.99 3.75 0.00 -1.17 0.15 103.07 109.32 3dks h GLY 69 Ca 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3dks h GLY 69 CO 0.07 0.36 0.21 1.70 0.00 0.00 0.00 176.54 178.88 3dks h LYS 70 N 1.09 0.86 -0.38 4.80 3.11 -0.97 -1.96 116.57 123.12 3dks h LYS 70 Ca 0.36 -0.17 -0.11 0.00 -2.81 0.00 0.00 60.65 57.92 3dks h LYS 70 Cb 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 3dks h LYS 70 CO -0.13 0.76 -0.19 -0.44 -2.81 0.00 0.00 179.45 176.64 3dks h ASP 71 N 0.78 0.73 -0.30 4.20 3.32 -0.73 -2.26 116.42 122.15 3dks h ASP 71 Ca 0.19 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3dks h ASP 71 Cb 0.23 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3dks h ASP 71 CO -0.01 0.92 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.22 3dks h LEU 72 N 0.64 0.74 -0.70 1.55 3.38 -0.59 0.85 115.31 121.18 3dks h LEU 72 Ca 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3dks h LEU 72 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3dks h LEU 72 CO 0.05 0.89 0.26 0.74 0.09 0.00 0.00 178.44 180.47 3dks h THR 73 N 0.67 1.25 -0.42 0.22 2.02 -1.13 -0.45 112.91 115.06 3dks h THR 73 Ca 0.11 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 3dks h THR 73 Cb 0.61 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3dks h THR 73 CO 0.04 0.32 -0.17 -0.61 0.37 0.00 0.00 175.52 175.47 3dks h GLN 74 N 1.00 0.81 -0.45 6.66 4.15 -1.05 -2.07 115.11 124.15 3dks h GLN 74 Ca 0.23 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 3dks h GLN 74 Cb 0.24 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3dks h GLN 74 CO -0.02 0.92 -0.06 0.00 -1.93 0.00 0.00 178.83 177.75 3dks h ALA 75 N 1.09 1.04 -0.53 3.38 0.00 -0.60 -2.00 119.26 121.64 3dks h ALA 75 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3dks h ALA 75 Cb 0.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3dks h ALA 75 CO 0.05 0.59 -0.04 2.35 0.00 0.00 0.00 179.25 182.19 3dks h TRP 76 N 0.72 1.03 -0.32 0.00 2.91 -0.91 0.33 115.95 119.71 3dks h TRP 76 Ca 0.13 -0.18 0.06 0.00 1.13 0.00 0.00 58.89 60.03 3dks h TRP 76 Cb 0.53 -0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 28.86 3dks h TRP 76 CO 0.03 0.94 -0.02 0.00 -1.03 0.00 0.00 178.44 178.36 3dks h ALA 77 N 1.09 0.27 -0.30 2.65 0.00 -1.12 0.98 119.26 122.83 3dks h ALA 77 Ca 0.15 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3dks h ALA 77 Cb 0.56 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3dks h ALA 77 CO 0.03 -0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.12 3dks h VAL 78 N 0.07 0.75 -0.58 0.00 2.07 -0.93 0.29 116.25 117.92 3dks h VAL 78 Ca 0.16 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3dks h VAL 78 Cb 0.22 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3dks h VAL 78 CO -0.28 0.01 0.24 0.00 0.02 0.00 0.00 177.57 177.56 3dks h ALA 79 N 1.27 0.74 -0.45 1.67 0.00 -0.39 0.16 119.26 122.27 3dks h ALA 79 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dks h ALA 79 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dks h ALA 79 CO -0.27 -0.16 0.04 0.52 0.00 0.00 0.00 179.25 179.38 3dks h MET 80 N 0.43 0.76 -0.71 0.00 2.86 -0.27 0.23 114.93 118.24 3dks h MET 80 Ca 0.28 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3dks h MET 80 Cb 0.30 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3dks h MET 80 CO -0.26 0.81 0.23 0.00 1.06 0.00 0.00 176.91 178.75 3dks h ALA 81 N 0.93 1.06 0.00 6.32 0.00 0.24 -2.90 119.26 124.91 3dks h ALA 81 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dks h ALA 81 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dks h ALA 81 CO 0.02 0.64 -0.61 1.28 0.00 0.00 0.00 179.25 180.58 3dks n LEU 82 N -4.26 0.65 -1.26 0.00 4.77 0.51 -4.97 117.00 112.44 3dks n LEU 82 Ca 0.06 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3dks n LEU 82 Cb 0.22 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3dks n LEU 82 CO 0.41 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3dks n GLY 83 N 1.37 0.25 0.68 -0.72 0.00 0.66 -4.96 105.19 102.46 3dks n GLY 83 Ca 0.04 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.69 2.24 -0.31 1.61 0.24 -0.24 -4.77 118.33 113.40 3dks n VAL 84 Ca -0.04 -2.56 0.08 0.00 -2.04 0.00 0.00 64.34 59.78 3dks n VAL 84 Cb 0.54 -0.27 0.24 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.89 0.67 0.00 7.34 3.07 -1.93 -0.84 114.58 123.78 3dks h GLU 85 Ca 0.06 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3dks h GLU 85 Cb 1.28 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3dks h GLU 85 CO 0.16 0.44 0.00 -0.44 -1.40 0.00 0.00 179.01 177.77 3dks h ASP 86 N 0.69 0.00 0.63 1.42 3.32 -1.95 -2.29 116.42 118.23 3dks h ASP 86 Ca 0.48 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.32 3dks h ASP 86 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3dks h ASP 86 CO -0.35 0.00 -1.51 0.11 -1.72 0.00 0.00 179.24 175.76 3dks h LYS 87 N 0.00 0.00 0.00 3.56 1.57 -1.53 -3.42 116.57 116.75 3dks h LYS 87 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dks h LYS 87 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3dks h LYS 87 CO 0.00 0.38 -0.98 1.33 -0.57 0.00 0.00 179.45 179.61 3dks n VAL 88 N -2.96 0.00 0.23 0.50 0.24 -1.08 -4.63 118.33 110.63 3dks n VAL 88 Ca -0.12 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.78 3dks n VAL 88 Cb 0.92 0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.34 0.61 3.34 2.02 -1.67 -0.90 112.91 116.65 3dks h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3dks h THR 89 Cb 0.31 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3dks h THR 89 CO 0.00 0.00 -0.42 0.58 0.37 0.00 0.00 175.52 176.05 3dks h VAL 90 N -0.70 0.15 -0.23 3.16 2.07 -1.85 -0.27 116.25 118.57 3dks h VAL 90 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3dks h VAL 90 Cb 0.62 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3dks h VAL 90 CO -0.03 0.00 0.13 1.55 0.02 0.00 0.00 177.57 179.25 3dks h PRO 91 N -0.99 0.30 -0.12 1.57 0.13 -1.81 0.63 132.00 131.71 3dks h PRO 91 Ca -0.07 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 3dks h PRO 91 Cb 0.82 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3dks h PRO 91 CO 0.04 0.22 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.92 3dks h LEU 92 N 0.31 0.24 -0.31 1.56 3.38 -0.98 0.70 115.31 120.21 3dks h LEU 92 Ca 0.08 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3dks h LEU 92 Cb -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dks h LEU 92 CO -0.02 0.56 0.15 -0.26 0.09 0.00 0.00 178.44 178.96 3dks h PHE 93 N -0.08 0.28 -0.56 1.13 0.04 -0.64 -1.61 116.94 115.49 3dks h PHE 93 Ca 0.03 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 3dks h PHE 93 Cb 0.46 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3dks h PHE 93 CO 0.05 0.15 -0.09 0.93 -0.60 0.00 0.00 178.31 178.75 3dks h GLU 94 N 0.31 1.05 -0.72 1.51 5.08 -0.89 -1.84 114.58 119.09 3dks h GLU 94 Ca 0.13 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 3dks h GLU 94 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3dks h GLU 94 CO -0.10 1.07 0.24 0.78 -1.00 0.00 0.00 179.01 180.01 3dks h GLY 95 N 0.94 1.20 0.63 -3.84 0.00 -0.72 0.33 103.07 101.62 3dks h GLY 95 Ca 0.15 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3dks h GLY 95 CO 0.05 0.65 -0.33 -2.08 0.00 0.00 0.00 176.54 174.83 3dks h VAL 96 N 1.06 1.46 0.00 4.60 2.07 -1.27 -0.38 116.25 123.79 3dks h VAL 96 Ca 0.24 -1.82 -0.25 0.00 0.82 0.00 0.00 66.70 65.69 3dks h VAL 96 Cb 0.29 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 3dks h VAL 96 CO -0.01 0.52 -1.93 0.00 0.02 0.00 0.00 177.57 176.16 3dks n GLN 97 N -4.43 1.48 -0.06 1.57 6.02 -0.70 -3.96 117.38 117.31 3dks n GLN 97 Ca -0.09 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.88 3dks n GLN 97 Cb 0.52 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.42 3dks n GLN 97 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3dks n LYS 98 N -2.62 0.36 0.12 -1.09 4.81 -0.03 -4.57 118.16 115.15 3dks n LYS 98 Ca -0.24 0.47 0.10 0.00 -0.87 0.00 0.00 58.31 57.77 3dks n LYS 98 Cb 0.91 -1.51 0.03 0.00 0.02 0.00 0.00 35.03 34.48 3dks n LYS 98 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3dks h THR 99 N -0.80 0.11 -3.33 3.15 1.35 -1.40 -3.48 112.91 108.51 3dks h THR 99 Ca 0.00 -1.20 -0.35 0.00 -0.55 0.00 0.00 66.41 64.31 3dks h THR 99 Cb 0.40 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 3dks h THR 99 CO 0.00 0.06 -0.45 0.00 -0.25 0.00 0.00 175.52 174.88 3dks n GLN 100 N -2.83 -1.90 0.21 4.72 6.02 -0.88 -4.89 117.38 117.83 3dks n GLN 100 Ca -0.00 0.85 0.10 0.00 -0.01 0.00 0.00 57.00 57.94 3dks n GLN 100 Cb 0.59 -5.50 0.18 0.00 1.02 0.00 0.00 30.24 26.54 3dks n GLN 100 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3dks h THR 101 N -0.00 0.19 -3.53 5.09 1.35 -1.38 -3.44 112.91 111.19 3dks h THR 101 Ca -0.42 -1.22 -0.64 0.00 -0.55 0.00 0.00 66.41 63.58 3dks h THR 101 Cb 1.31 2.05 -0.14 0.00 -1.73 0.00 0.00 68.15 69.64 3dks h THR 101 CO 0.49 0.10 0.27 -0.63 -0.25 0.00 0.00 175.52 175.51 3dks s ILE 102 N -3.20 4.70 0.00 6.82 1.01 -0.80 -4.83 121.20 124.91 3dks s ILE 102 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3dks s ILE 102 Cb 0.06 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3dks s ILE 102 CO 0.68 -0.73 0.08 0.54 0.00 0.00 0.00 174.94 175.50 3dks n ARG 103 N 6.59 2.39 -4.09 2.79 1.74 -1.26 -4.71 116.66 120.12 3dks n ARG 103 Ca -0.00 -0.08 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 3dks n ARG 103 Cb 0.48 -0.41 -0.07 0.00 -1.02 0.00 0.00 32.46 31.44 3dks n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dks s SER 104 N -0.36 0.11 0.39 0.55 1.04 -1.26 -4.95 113.70 109.21 3dks s SER 104 Ca 0.00 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 55.33 3dks s SER 104 Cb 0.00 0.51 0.79 0.00 0.10 0.00 0.00 66.02 67.42 3dks s SER 104 CO 0.00 -1.04 2.03 0.00 0.98 0.00 0.00 173.24 175.21 3dks h ALA 105 N 2.38 1.68 -0.74 5.32 0.00 -1.97 -2.59 119.26 123.34 3dks h ALA 105 Ca -0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3dks h ALA 105 Cb 1.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3dks h ALA 105 CO 0.42 0.28 0.29 1.03 0.00 0.00 0.00 179.25 181.27 3dks h SER 106 N 0.66 1.02 -0.72 0.00 0.87 -1.99 -1.63 113.55 111.76 3dks h SER 106 Ca 0.20 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3dks h SER 106 Cb 0.00 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 3dks h SER 106 CO -0.05 0.92 0.32 0.44 -0.53 0.00 0.00 176.83 177.93 3dks h ASP 107 N 1.06 0.99 -0.23 6.23 3.32 -1.84 -2.14 116.42 123.81 3dks h ASP 107 Ca 0.25 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3dks h ASP 107 Cb 0.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dks h ASP 107 CO -0.02 0.86 0.12 0.40 -1.72 0.00 0.00 179.24 178.88 3dks h ILE 108 N 1.06 1.13 -0.88 0.35 2.04 -1.19 -2.88 117.51 117.15 3dks h ILE 108 Ca 0.25 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3dks h ILE 108 Cb 0.16 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3dks h ILE 108 CO -0.03 0.13 0.53 -0.09 0.00 0.00 0.00 178.15 178.69 3dks h ARG 109 N 0.25 0.88 -0.86 2.37 2.43 -1.05 -2.28 114.38 116.12 3dks h ARG 109 Ca 0.08 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3dks h ARG 109 Cb 0.11 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 3dks h ARG 109 CO -0.01 0.58 0.53 -0.44 -1.51 0.00 0.00 179.97 179.11 3dks h ASP 110 N 0.90 0.81 -0.82 -3.80 3.32 -1.18 -2.19 116.42 113.47 3dks h ASP 110 Ca 0.41 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.49 3dks h ASP 110 Cb 0.31 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3dks h ASP 110 CO -0.22 0.50 0.53 0.58 -1.72 0.00 0.00 179.24 178.91 3dks h VAL 111 N 0.94 1.21 -0.58 -1.35 2.07 -1.28 -0.15 116.25 117.11 3dks h VAL 111 Ca 0.39 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3dks h VAL 111 Cb 0.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3dks h VAL 111 CO -0.19 0.21 0.07 -0.26 0.02 0.00 0.00 177.57 177.42 3dks h PHE 112 N 1.11 1.05 0.26 1.57 -1.00 -1.33 -1.73 116.94 116.87 3dks h PHE 112 Ca 0.30 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3dks h PHE 112 Cb -0.11 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.17 3dks h PHE 112 CO -0.01 0.92 -0.12 0.82 -1.61 0.00 0.00 178.31 178.30 3dks h ILE 113 N 0.88 0.79 -0.04 -0.55 1.08 -1.05 -2.22 117.51 116.40 3dks h ILE 113 Ca 0.17 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 3dks h ILE 113 Cb 0.45 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3dks h ILE 113 CO 0.02 0.08 0.14 0.78 -0.69 0.00 0.00 178.15 178.47 3dks h ASN 114 N -0.53 0.00 0.06 1.72 2.35 -1.00 -0.25 115.58 117.93 3dks h ASN 114 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3dks h ASN 114 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3dks h ASN 114 CO 0.06 0.00 -0.04 0.00 -1.65 0.00 0.00 177.43 175.80 3dks n ALA 115 N -2.10 2.67 -0.15 -0.83 0.00 -0.66 -4.92 120.51 114.53 3dks n ALA 115 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3dks n ALA 115 Cb 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.17 0.82 3.67 0.00 0.00 -0.11 -5.01 105.19 105.73 3dks n GLY 116 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 4.99 0.50 -0.61 1.01 -0.88 -5.03 121.20 119.09 3dks s ILE 117 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 60.65 61.74 3dks s ILE 117 Cb 0.00 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3dks s ILE 117 CO 0.00 0.11 1.13 2.29 0.00 0.00 0.00 174.94 178.47 3dks n LYS 118 N 4.95 1.44 0.02 2.79 -0.00 -1.26 -4.06 118.16 122.03 3dks n LYS 118 Ca -0.00 0.53 -0.04 0.00 -0.00 0.00 0.00 58.31 58.80 3dks n LYS 118 Cb 0.50 -2.27 0.19 0.00 -0.00 0.00 0.00 35.03 33.45 3dks n LYS 118 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3dks h GLY 119 N 1.36 0.50 1.93 2.58 0.00 -1.96 -2.42 103.07 105.07 3dks h GLY 119 Ca -0.48 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.26 3dks h GLY 119 CO 0.56 0.39 -0.78 1.05 0.00 0.00 0.00 176.54 177.76 3dks h GLU 120 N 0.40 0.06 -0.15 4.80 9.09 -2.00 -3.00 114.58 123.78 3dks h GLU 120 Ca 0.05 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 3dks h GLU 120 Cb 0.73 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 3dks h GLU 120 CO 0.06 0.80 0.08 1.49 0.05 0.00 0.00 179.01 181.50 3dks h GLU 121 N 0.04 0.21 -0.52 1.06 4.81 -1.88 -2.35 114.58 115.95 3dks h GLU 121 Ca -0.02 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3dks h GLU 121 Cb 1.37 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3dks h GLU 121 CO 0.11 0.21 0.11 -0.92 -0.73 0.00 0.00 179.01 177.78 3dks h TYR 122 N 0.15 0.89 -0.10 0.92 3.20 -1.44 -1.35 116.97 119.24 3dks h TYR 122 Ca 0.05 -0.11 -0.21 0.00 3.14 0.00 0.00 58.73 61.60 3dks h TYR 122 Cb 0.06 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3dks h TYR 122 CO -0.04 0.79 -0.79 -0.44 -1.64 0.00 0.00 178.16 176.03 3dks h ASP 123 N 0.73 0.72 -0.59 -2.11 5.19 -1.56 0.22 116.42 119.02 3dks h ASP 123 Ca 0.16 -0.49 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 3dks h ASP 123 Cb 0.36 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 3dks h ASP 123 CO 0.01 1.27 0.34 0.00 -3.12 0.00 0.00 179.24 177.73 3dks h ALA 124 N 0.71 0.75 0.10 3.45 0.00 -1.41 -2.65 119.26 120.22 3dks h ALA 124 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dks h ALA 124 Cb 1.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dks h ALA 124 CO 0.15 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 3dks h ALA 125 N 1.16 -0.14 -0.72 0.00 0.00 -1.09 -2.70 119.26 115.78 3dks h ALA 125 Ca 0.21 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3dks h ALA 125 Cb 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 3dks h ALA 125 CO -0.04 -0.44 0.00 2.35 0.00 0.00 0.00 179.25 181.13 3dks h TRP 126 N -0.41 -0.05 -0.23 0.00 2.91 -0.53 -1.31 115.95 116.34 3dks h TRP 126 Ca -0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3dks h TRP 126 Cb 0.34 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 3dks h TRP 126 CO 0.01 -0.22 0.00 0.09 -1.03 0.00 0.00 178.44 177.30 3dks n ASN 127 N -5.33 2.09 -4.82 2.65 3.02 -1.00 -4.79 115.26 107.08 3dks n ASN 127 Ca 0.12 -1.79 -0.33 0.00 -0.03 0.00 0.00 54.58 52.55 3dks n ASN 127 Cb 0.44 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.51 6.52 0.33 6.41 1.04 -0.49 -4.96 113.70 121.04 3dks s SER 128 Ca 0.33 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.50 3dks s SER 128 Cb 0.18 -2.53 0.58 0.00 0.10 0.00 0.00 66.02 64.35 3dks s SER 128 CO 0.27 -0.66 1.99 -0.26 0.98 0.00 0.00 173.24 175.56 3dks h PHE 129 N 1.27 0.88 -0.79 5.02 -1.00 -1.90 -1.79 116.94 118.63 3dks h PHE 129 Ca -0.48 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.39 3dks h PHE 129 Cb 1.20 -0.30 -0.06 0.00 3.61 0.00 0.00 35.95 40.40 3dks h PHE 129 CO 0.61 0.55 0.47 0.28 -1.61 0.00 0.00 178.31 178.60 3dks h VAL 130 N 0.94 0.98 -0.21 -0.55 2.07 -1.93 0.87 116.25 118.42 3dks h VAL 130 Ca 0.27 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.30 3dks h VAL 130 Cb -0.07 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3dks h VAL 130 CO -0.06 0.15 -0.65 0.58 0.02 0.00 0.00 177.57 177.61 3dks h VAL 131 N 0.83 1.29 -0.65 2.57 2.07 -1.70 -0.94 116.25 119.73 3dks h VAL 131 Ca 0.36 -1.86 0.08 0.00 0.82 0.00 0.00 66.70 66.10 3dks h VAL 131 Cb 0.24 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3dks h VAL 131 CO -0.20 0.59 0.31 0.11 0.02 0.00 0.00 177.57 178.41 3dks h LYS 132 N 0.56 0.54 -0.67 1.57 1.57 -0.95 0.41 116.57 119.61 3dks h LYS 132 Ca -0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3dks h LYS 132 Cb 1.26 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 3dks h LYS 132 CO 0.13 0.36 0.22 1.03 -0.57 0.00 0.00 179.45 180.62 3dks h SER 133 N 0.56 0.96 -0.15 0.86 0.87 -0.68 -2.42 113.55 113.56 3dks h SER 133 Ca 0.31 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 3dks h SER 133 Cb 0.30 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3dks h SER 133 CO -0.24 0.91 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.52 3dks h LEU 134 N 0.97 0.71 0.14 2.23 3.38 -0.53 0.65 115.31 122.86 3dks h LEU 134 Ca 0.22 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dks h LEU 134 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dks h LEU 134 CO -0.01 1.02 -0.09 0.58 0.09 0.00 0.00 178.44 180.03 3dks h VAL 135 N 0.56 0.80 -0.85 1.22 2.07 -0.87 -1.65 116.25 117.53 3dks h VAL 135 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3dks h VAL 135 Cb 0.91 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3dks h VAL 135 CO 0.08 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.23 3dks h ALA 136 N 0.63 1.08 -0.47 1.67 0.00 -1.24 -1.75 119.26 119.17 3dks h ALA 136 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3dks h ALA 136 Cb 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3dks h ALA 136 CO 0.01 0.47 0.12 0.37 0.00 0.00 0.00 179.25 180.22 3dks h GLN 137 N 1.14 0.26 -0.72 0.00 4.15 -0.74 0.23 115.11 119.43 3dks h GLN 137 Ca 0.32 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 3dks h GLN 137 Cb -0.11 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 3dks h GLN 137 CO -0.08 0.17 0.28 1.96 -1.93 0.00 0.00 178.83 179.24 3dks h GLN 138 N 0.27 1.07 -0.41 1.69 4.20 -0.94 -1.80 115.11 119.19 3dks h GLN 138 Ca 0.23 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3dks h GLN 138 Cb 0.28 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3dks h GLN 138 CO -0.28 0.89 -0.22 0.93 -0.67 0.00 0.00 178.83 179.48 3dks h GLU 139 N 1.03 0.87 -0.38 1.46 5.08 -0.85 -2.72 114.58 119.06 3dks h GLU 139 Ca 0.24 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dks h GLU 139 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dks h GLU 139 CO -0.02 1.04 0.24 -0.22 -1.00 0.00 0.00 179.01 179.04 3dks h LYS 140 N 0.69 0.52 -0.34 2.33 3.64 -0.48 -2.25 116.57 120.68 3dks h LYS 140 Ca 0.09 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3dks h LYS 140 Cb 0.79 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3dks h LYS 140 CO 0.06 0.38 0.21 0.00 -2.27 0.00 0.00 179.45 177.84 3dks h ALA 141 N 1.11 0.43 -0.54 5.00 0.00 -1.28 0.23 119.26 124.20 3dks h ALA 141 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dks h ALA 141 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3dks h ALA 141 CO -0.03 -0.13 0.31 0.00 0.00 0.00 0.00 179.25 179.41 3dks h ALA 142 N 1.14 0.69 -0.62 0.00 0.00 -1.46 -2.34 119.26 116.66 3dks h ALA 142 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3dks h ALA 142 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dks h ALA 142 CO -0.04 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.28 3dks h ALA 143 N 1.25 0.92 -0.22 0.00 0.00 -0.93 -1.11 119.26 119.17 3dks h ALA 143 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3dks h ALA 143 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dks h ALA 143 CO -0.11 0.66 -0.00 -0.44 0.00 0.00 0.00 179.25 179.35 3dks h ASP 144 N 0.98 0.29 -0.34 0.00 3.32 -0.13 -2.10 116.42 118.43 3dks h ASP 144 Ca 0.19 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dks h ASP 144 Cb 0.48 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3dks h ASP 144 CO 0.02 0.35 0.00 1.33 -1.72 0.00 0.00 179.24 179.22 3dks n VAL 145 N -4.36 0.44 -3.57 -1.35 0.24 -0.92 -4.84 118.33 103.97 3dks n VAL 145 Ca 0.00 -0.65 -0.20 0.00 -2.04 0.00 0.00 64.34 61.45 3dks n VAL 145 Cb 0.19 0.82 0.06 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.22 -6.03 -2.01 7.34 6.02 -0.79 -4.88 117.38 118.24 3dks n GLN 146 Ca 0.19 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 3dks n GLN 146 Cb 0.54 -5.59 -0.03 0.00 1.02 0.00 0.00 30.24 26.19 3dks n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dks s LEU 147 N -6.61 4.35 0.00 1.08 2.96 -0.46 -4.88 118.68 115.12 3dks s LEU 147 Ca 0.09 2.36 0.01 0.00 -0.22 0.00 0.00 54.13 56.37 3dks s LEU 147 Cb -0.04 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 3dks s LEU 147 CO 0.77 -0.85 0.21 0.54 -1.32 0.00 0.00 176.35 175.70 3dks n ARG 148 N 5.72 4.21 -3.46 1.98 5.12 -1.26 -4.96 116.66 124.00 3dks n ARG 148 Ca 0.15 -0.19 -0.11 0.00 -1.93 0.00 0.00 57.85 55.78 3dks n ARG 148 Cb 0.42 -0.71 -0.02 0.00 -1.16 0.00 0.00 32.46 30.98 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 -0.80 -0.55 0.12 -0.13 0.00 -1.26 -5.18 107.32 99.53 3dks s GLY 149 Ca 0.01 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.55 3dks s GLY 149 CO 0.04 0.28 -0.13 -1.34 0.00 0.00 0.00 173.10 171.95 3dks s VAL 150 N -3.34 1.24 0.69 1.40 -7.23 -1.26 -4.41 120.40 107.50 3dks s VAL 150 Ca 0.02 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 3dks s VAL 150 Cb -0.01 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3dks s VAL 150 CO -0.10 -0.47 1.09 -2.16 -0.31 0.00 0.00 175.10 173.14 3dks s PRO 151 N -2.78 2.74 -0.04 4.82 0.04 -1.26 -4.77 135.00 133.75 3dks s PRO 151 Ca 0.09 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 3dks s PRO 151 Cb -0.04 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3dks s PRO 151 CO 0.02 -1.28 0.33 0.00 0.04 0.00 0.00 177.00 176.12 3dks s ALA 152 N -2.64 -0.83 -0.01 8.56 0.00 -1.08 -5.01 121.76 120.75 3dks s ALA 152 Ca 0.63 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3dks s ALA 152 Cb -0.18 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3dks s ALA 152 CO 0.47 -0.25 0.01 1.41 0.00 0.00 0.00 175.76 177.40 3dks s MET 153 N -1.06 0.07 -0.02 0.00 1.75 -1.26 -0.68 119.30 118.11 3dks s MET 153 Ca -0.11 0.07 0.07 0.00 -1.25 0.00 0.00 55.69 54.46 3dks s MET 153 Cb -0.05 -0.21 -0.02 0.00 2.84 0.00 0.00 34.83 37.40 3dks s MET 153 CO 0.04 -0.08 -0.21 -0.06 -0.65 0.00 0.00 175.02 174.06 3dks s PHE 154 N 0.57 1.91 -0.17 4.11 0.40 0.11 -0.97 117.98 123.93 3dks s PHE 154 Ca -0.05 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3dks s PHE 154 Cb -0.07 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.23 3dks s PHE 154 CO -0.01 -0.03 -0.14 0.08 0.70 0.00 0.00 175.22 175.81 3dks s VAL 155 N -0.50 2.66 -1.91 -0.44 1.01 0.66 -0.43 120.40 121.45 3dks s VAL 155 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3dks s VAL 155 Cb -0.08 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3dks s VAL 155 CO -0.01 0.51 0.00 0.59 0.00 0.00 0.00 175.10 176.19 3dks n ASN 156 N 4.27 -5.16 -0.22 3.32 3.02 0.37 -1.33 115.26 119.54 3dks n ASN 156 Ca -0.19 0.34 -0.03 0.00 -0.03 0.00 0.00 54.58 54.67 3dks n ASN 156 Cb 0.51 -4.51 -0.01 0.00 -0.61 0.00 0.00 39.78 35.16 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 -0.53 0.39 0.02 7.41 0.00 -1.26 -4.77 105.19 106.45 3dks n GLY 157 Ca -0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.47 0.75 -5.05 1.61 5.02 -0.44 -1.12 118.16 118.46 3dks n LYS 158 Ca -0.03 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 3dks n LYS 158 Cb 0.40 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 3dks n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dks s TYR 159 N -2.09 1.98 -0.13 2.13 2.02 -0.80 -0.69 117.35 119.77 3dks s TYR 159 Ca -0.05 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3dks s TYR 159 Cb 0.01 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3dks s TYR 159 CO 0.11 -0.02 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.84 3dks s GLN 160 N -0.60 3.42 0.36 -0.62 0.74 0.31 -0.24 119.66 123.03 3dks s GLN 160 Ca 0.09 -0.61 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 3dks s GLN 160 Cb -0.09 -2.73 -0.11 0.00 1.10 0.00 0.00 33.01 31.19 3dks s GLN 160 CO -0.01 0.27 1.41 -0.51 -0.55 0.00 0.00 175.29 175.91 3dks s LEU 161 N 0.23 4.36 -0.71 3.68 2.01 -0.15 -0.22 118.68 127.88 3dks s LEU 161 Ca -0.06 2.91 0.05 0.00 0.01 0.00 0.00 54.13 57.04 3dks s LEU 161 Cb -0.15 -3.66 0.17 0.00 0.01 0.00 0.00 46.19 42.56 3dks s LEU 161 CO 0.04 -0.74 0.51 0.21 1.01 0.00 0.00 176.35 177.38 3dks s ASN 162 N -0.28 4.89 0.66 2.29 2.47 0.47 -4.77 114.94 120.66 3dks s ASN 162 Ca 0.51 -3.87 0.40 0.00 0.42 0.00 0.00 52.86 50.33 3dks s ASN 162 Cb -0.44 -1.65 2.22 0.00 -1.45 0.00 0.00 41.25 39.93 3dks s ASN 162 CO 0.59 -0.09 2.28 1.55 -3.72 0.00 0.00 177.10 177.72 3dks h PRO 163 N 5.40 0.00 0.00 0.43 0.13 -1.88 -1.54 132.00 134.55 3dks h PRO 163 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3dks h PRO 163 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3dks h PRO 163 CO 0.72 0.00 -0.06 1.96 -0.23 0.00 0.00 178.00 180.40 3dks h GLN 164 N 0.00 0.00 -0.61 0.86 1.08 -1.92 -2.26 115.11 112.25 3dks h GLN 164 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dks h GLN 164 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3dks h GLN 164 CO -0.00 0.06 0.00 0.41 -0.95 0.00 0.00 178.83 178.35 3dks n GLY 165 N -1.11 1.96 3.72 3.46 0.00 -0.58 -4.93 105.19 107.71 3dks n GLY 165 Ca -0.03 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.77 2.31 -0.07 1.61 -1.94 -0.85 -4.60 119.30 113.99 3dks s MET 166 Ca 0.36 -1.60 -0.23 0.00 -1.71 0.00 0.00 55.69 52.50 3dks s MET 166 Cb 0.23 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 3dks s MET 166 CO 0.17 0.10 0.70 -0.51 -0.01 0.00 0.00 175.02 175.47 3dks s ASP 167 N -3.83 6.99 0.00 3.03 1.01 -1.26 -4.96 116.67 117.64 3dks s ASP 167 Ca 0.37 1.19 0.06 0.00 0.71 0.00 0.00 52.55 54.88 3dks s ASP 167 Cb -0.02 -2.41 0.12 0.00 1.01 0.00 0.00 42.92 41.62 3dks s ASP 167 CO 0.22 -0.12 0.99 0.35 0.21 0.00 0.00 175.17 176.82 3dks n THR 168 N 3.79 0.68 -0.00 -1.27 -2.24 -1.26 -3.57 114.28 110.40 3dks n THR 168 Ca -0.01 -0.84 -0.01 0.00 -2.27 0.00 0.00 64.05 60.92 3dks n THR 168 Cb 0.51 0.70 0.27 0.00 -2.10 0.00 0.00 70.33 69.72 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 1.09 0.50 -3.17 3.42 0.02 -2.01 -3.41 113.55 109.99 3dks h SER 169 Ca 0.00 -0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 60.26 3dks h SER 169 Cb 0.50 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 62.55 3dks h SER 169 CO 0.00 0.61 -0.83 0.21 -1.14 0.00 0.00 176.83 175.68 3dks s ASN 170 N -6.75 2.48 0.35 3.07 3.84 -1.26 -5.03 114.94 111.64 3dks s ASN 170 Ca -0.07 -0.42 0.05 0.00 0.21 0.00 0.00 52.86 52.63 3dks s ASN 170 Cb 0.15 -1.06 0.65 0.00 -0.55 0.00 0.00 41.25 40.43 3dks s ASN 170 CO 0.77 -0.06 1.89 0.24 -2.79 0.00 0.00 177.10 177.16 3dks h MET 171 N 7.93 0.47 -0.40 0.43 2.86 -1.91 -0.62 114.93 123.68 3dks h MET 171 Ca -0.35 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 3dks h MET 171 Cb 1.14 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3dks h MET 171 CO 0.49 0.51 -0.02 -0.44 1.06 0.00 0.00 176.91 178.51 3dks h ASP 172 N 0.45 0.72 -0.42 1.22 3.32 -1.97 -1.09 116.42 118.66 3dks h ASP 172 Ca 0.10 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.84 3dks h ASP 172 Cb 0.32 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3dks h ASP 172 CO 0.01 0.87 0.25 0.58 -1.72 0.00 0.00 179.24 179.23 3dks h VAL 173 N 0.55 1.05 0.24 -1.35 2.07 -1.83 -1.48 116.25 115.51 3dks h VAL 173 Ca 0.11 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3dks h VAL 173 Cb 0.51 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3dks h VAL 173 CO 0.03 0.09 -0.23 0.15 0.02 0.00 0.00 177.57 177.63 3dks h PHE 174 N 0.51 -0.60 -0.76 1.57 3.57 -0.96 -1.09 116.94 119.17 3dks h PHE 174 Ca 0.17 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3dks h PHE 174 Cb 0.00 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 3dks h PHE 174 CO -0.07 -0.34 0.44 0.28 -2.23 0.00 0.00 178.31 176.39 3dks h VAL 175 N -0.50 0.97 -0.04 1.41 2.07 -1.06 -1.13 116.25 117.97 3dks h VAL 175 Ca -0.01 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 3dks h VAL 175 Cb 0.46 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3dks h VAL 175 CO -0.04 0.15 -0.73 1.56 0.02 0.00 0.00 177.57 178.52 3dks h GLN 176 N 0.80 0.24 -0.69 1.57 1.08 -1.12 0.10 115.11 117.07 3dks h GLN 176 Ca 0.35 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 3dks h GLN 176 Cb 0.22 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 3dks h GLN 176 CO -0.20 0.86 0.23 1.96 -0.95 0.00 0.00 178.83 180.74 3dks h GLN 177 N 0.16 1.06 0.26 1.46 4.20 -0.72 -0.19 115.11 121.33 3dks h GLN 177 Ca -0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3dks h GLN 177 Cb 1.29 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3dks h GLN 177 CO 0.11 0.89 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.12 3dks h TYR 178 N 1.02 -0.32 -0.95 2.96 5.03 -1.00 -1.83 116.97 121.88 3dks h TYR 178 Ca 0.23 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.57 3dks h TYR 178 Cb 0.27 0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.59 3dks h TYR 178 CO 0.02 -0.03 0.61 0.00 -1.32 0.00 0.00 178.16 177.45 3dks h ALA 179 N 0.03 1.27 -0.38 1.82 0.00 -0.88 -1.98 119.26 119.15 3dks h ALA 179 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3dks h ALA 179 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dks h ALA 179 CO 0.06 0.46 -0.10 -0.44 0.00 0.00 0.00 179.25 179.22 3dks h ASP 180 N 1.17 0.65 -0.30 0.00 3.32 -1.02 -2.38 116.42 117.86 3dks h ASP 180 Ca 0.39 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3dks h ASP 180 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3dks h ASP 180 CO -0.14 0.79 0.13 0.74 -1.72 0.00 0.00 179.24 179.04 3dks h THR 181 N 0.61 1.17 -0.75 0.35 2.02 -0.60 -0.69 112.91 115.01 3dks h THR 181 Ca 0.11 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3dks h THR 181 Cb 0.54 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3dks h THR 181 CO 0.03 0.18 0.47 0.58 0.37 0.00 0.00 175.52 177.16 3dks h VAL 182 N 0.34 1.10 -0.54 3.16 2.07 -1.27 -0.30 116.25 120.82 3dks h VAL 182 Ca 0.10 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3dks h VAL 182 Cb 0.16 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3dks h VAL 182 CO -0.01 0.17 0.07 0.50 0.02 0.00 0.00 177.57 178.32 3dks h LYS 183 N 0.92 0.90 -0.58 1.57 3.11 -1.24 0.33 116.57 121.59 3dks h LYS 183 Ca 0.30 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 3dks h LYS 183 Cb 0.02 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.13 3dks h LYS 183 CO -0.11 0.89 0.24 -0.92 -2.81 0.00 0.00 179.45 176.73 3dks h TYR 184 N 0.78 0.88 -0.29 1.91 3.20 -0.72 -0.54 116.97 122.19 3dks h TYR 184 Ca 0.16 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 3dks h TYR 184 Cb 0.44 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3dks h TYR 184 CO 0.03 0.70 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.84 3dks h LEU 185 N 0.80 0.66 -0.82 2.82 3.38 -0.87 -3.11 115.31 118.17 3dks h LEU 185 Ca 0.19 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3dks h LEU 185 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dks h LEU 185 CO -0.02 0.95 -0.44 0.28 0.09 0.00 0.00 178.44 179.30 3dks h SER 186 N 0.53 0.35 -0.01 -0.43 0.02 -0.73 -3.48 113.55 109.80 3dks h SER 186 Ca 0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3dks h SER 186 Cb 0.84 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3dks h SER 186 CO 0.07 0.75 0.00 -0.62 -1.14 0.00 0.00 176.83 175.89