#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kye s ASP 12 N 0.00 6.22 -0.16 4.04 1.47 -1.26 -4.82 116.67 122.16 3kye s ASP 12 Ca 0.00 -1.01 0.16 0.00 1.18 0.00 0.00 52.55 52.88 3kye s ASP 12 Cb 0.00 -2.44 0.47 0.00 -0.34 0.00 0.00 42.92 40.61 3kye s ASP 12 CO 0.00 -1.47 1.36 0.18 0.68 0.00 0.00 175.17 175.92 3kye n LEU 13 N 7.90 3.56 0.27 2.11 4.77 -1.26 -4.63 117.00 129.71 3kye n LEU 13 Ca 0.01 -2.94 0.12 0.00 -0.03 0.00 0.00 56.01 53.16 3kye n LEU 13 Cb 0.46 -0.50 0.75 0.00 -2.33 0.00 0.00 43.42 41.81 3kye n LEU 13 CO 0.64 0.68 1.04 0.44 -1.33 0.00 0.00 177.39 178.86 3kye h ASP 14 N 1.52 0.00 0.65 -1.43 5.19 -1.88 -0.99 116.42 119.48 3kye h ASP 14 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3kye h ASP 14 Cb 1.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 3kye h ASP 14 CO 0.17 0.06 -0.25 4.11 -3.12 0.00 0.00 179.24 180.21 3kye h TRP 15 N 0.00 0.00 0.00 4.55 5.08 -1.92 -0.82 115.95 122.83 3kye h TRP 15 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3kye h TRP 15 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 3kye h TRP 15 CO 0.00 0.25 0.00 1.28 -1.28 0.00 0.00 178.44 178.69 3kye n LEU 16 N -3.60 2.16 0.00 0.11 4.77 -0.38 -2.16 117.00 117.90 3kye n LEU 16 Ca -0.01 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3kye n LEU 16 Cb 0.39 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kye n LEU 16 CO 0.34 0.37 0.00 -1.20 -1.33 0.00 0.00 177.39 175.57 3kye n SER 18 N 0.57 0.00 -0.10 -1.43 7.64 -0.32 -1.91 113.62 118.07 3kye n SER 18 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 3kye n SER 18 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 3kye n SER 18 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kye h GLY 19 N 0.00 0.31 0.53 0.23 0.00 -1.69 0.12 103.07 102.57 3kye h GLY 19 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3kye h GLY 19 CO 0.00 -0.12 -0.36 -2.00 0.00 0.00 0.00 176.54 174.07 3kye h LEU 20 N 0.04 -0.99 -0.64 3.11 5.85 -1.67 -1.49 115.31 119.53 3kye h LEU 20 Ca 0.18 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3kye h LEU 20 Cb 0.26 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3kye h LEU 20 CO -0.34 -0.47 0.39 0.58 -0.34 0.00 0.00 178.44 178.25 3kye h VAL 21 N -0.68 1.06 -0.80 1.05 2.07 -1.67 -1.84 116.25 115.44 3kye h VAL 21 Ca -0.00 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3kye h VAL 21 Cb 0.65 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3kye h VAL 21 CO -0.12 0.14 0.50 1.56 0.02 0.00 0.00 177.57 179.67 3kye h GLN 22 N 0.76 0.90 0.00 1.57 4.20 -0.67 -2.91 115.11 118.95 3kye h GLN 22 Ca 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kye h GLN 22 Cb 0.04 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3kye h GLN 22 CO -0.11 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.64 3kye h ARG 23 N 0.93 0.00 -4.54 1.46 3.08 -0.50 -3.42 114.38 111.40 3kye h ARG 23 Ca 0.34 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.70 3kye h ARG 23 Cb 0.11 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.82 3kye h ARG 23 CO -0.15 0.00 -0.58 0.08 -1.07 0.00 0.00 179.97 178.25 3kye s VAL 24 N -3.29 3.25 0.08 2.04 1.01 -0.77 -5.08 120.40 117.63 3kye s VAL 24 Ca 0.06 -1.92 -0.37 0.00 0.00 0.00 0.00 61.98 59.75 3kye s VAL 24 Cb 0.06 -3.16 -0.18 0.00 0.00 0.00 0.00 36.38 33.10 3kye s VAL 24 CO 0.64 -0.58 1.11 -2.65 0.00 0.00 0.00 175.10 173.62 3kye n PRO 25 N 4.60 0.55 -0.83 2.72 -0.02 -1.26 -1.87 135.00 138.89 3kye n PRO 25 Ca -0.04 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3kye n PRO 25 Cb 0.42 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3kye n PRO 25 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kye n HIS 26 N 1.65 0.00 -2.96 6.00 8.25 -1.26 -4.36 115.22 122.54 3kye n HIS 26 Ca 0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 3kye n HIS 26 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3kye n HIS 26 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kye s THR 27 N -3.33 4.38 -0.03 1.59 2.01 -0.78 0.32 115.64 119.80 3kye s THR 27 Ca 0.00 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.63 3kye s THR 27 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3kye s THR 27 CO 0.00 0.32 0.01 0.35 -0.69 0.00 0.00 174.62 174.61 3kye n THR 28 N 1.04 0.19 -3.62 -0.82 -2.24 -0.14 -4.94 114.28 103.74 3kye n THR 28 Ca -0.02 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 3kye n THR 28 Cb 0.50 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 3kye n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kye s SER 29 N -3.37 -0.30 -0.08 3.42 1.04 -1.13 -4.50 113.70 108.77 3kye s SER 29 Ca -0.01 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 3kye s SER 29 Cb 0.01 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.69 3kye s SER 29 CO 0.11 -0.93 0.19 0.00 0.98 0.00 0.00 173.24 173.59 3kye s ALA 30 N -3.81 -0.42 -0.06 5.32 0.00 -0.70 -1.47 121.76 120.61 3kye s ALA 30 Ca 0.04 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3kye s ALA 30 Cb 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3kye s ALA 30 CO -0.10 -0.14 -0.05 0.08 0.00 0.00 0.00 175.76 175.55 3kye s VAL 31 N 0.76 0.67 -0.19 0.00 1.01 0.21 -1.01 120.40 121.86 3kye s VAL 31 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3kye s VAL 31 Cb -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3kye s VAL 31 CO -0.04 0.27 0.16 -0.22 0.00 0.00 0.00 175.10 175.27 3kye s LEU 32 N 1.18 4.23 0.04 3.92 2.96 -0.20 -0.80 118.68 130.01 3kye s LEU 32 Ca -0.06 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3kye s LEU 32 Cb -0.14 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3kye s LEU 32 CO -0.01 0.18 -0.03 -1.48 -1.32 0.00 0.00 176.35 173.68 3kye s LEU 33 N 0.27 2.34 0.64 -0.68 2.34 -0.21 -0.40 118.68 122.99 3kye s LEU 33 Ca 0.10 -0.70 -0.12 0.00 0.06 0.00 0.00 54.13 53.46 3kye s LEU 33 Cb -0.11 0.11 -0.02 0.00 -0.56 0.00 0.00 46.19 45.61 3kye s LEU 33 CO -0.00 -0.41 1.05 -0.94 -1.06 0.00 0.00 176.35 174.99 3kye s SER 34 N -2.06 5.72 0.31 1.48 1.04 -0.15 -0.78 113.70 119.26 3kye s SER 34 Ca -0.06 1.63 0.26 0.00 0.48 0.00 0.00 55.95 58.25 3kye s SER 34 Cb -0.03 -2.50 1.02 0.00 0.10 0.00 0.00 66.02 64.61 3kye s SER 34 CO -0.04 -1.21 1.77 0.00 0.98 0.00 0.00 173.24 174.73 3kye n ASP 36 N -2.41 0.33 0.00 0.00 3.85 -1.26 -4.79 116.55 112.27 3kye n ASP 36 Ca 0.02 -0.68 0.00 0.00 -0.71 0.00 0.00 54.79 53.43 3kye n ASP 36 Cb 0.27 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3kye n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kye n GLY 37 N 1.20 1.15 3.84 6.12 0.00 0.15 -4.99 105.19 112.66 3kye n GLY 37 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3kye n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kye s LEU 38 N 0.00 4.20 0.06 0.99 1.43 -1.21 -3.77 118.68 120.38 3kye s LEU 38 Ca 0.00 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 3kye s LEU 38 Cb 0.00 -2.12 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 3kye s LEU 38 CO 0.00 0.37 1.18 -0.69 0.23 0.00 0.00 176.35 177.44 3kye s VAL 39 N -1.06 4.08 -0.15 -1.59 1.01 -1.26 -0.97 120.40 120.46 3kye s VAL 39 Ca 0.17 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.69 3kye s VAL 39 Cb -0.12 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 3kye s VAL 39 CO 0.07 0.12 -0.09 0.29 0.00 0.00 0.00 175.10 175.49 3kye n LYS 40 N 3.89 0.84 -3.63 2.72 5.02 0.47 -4.90 118.16 122.56 3kye n LYS 40 Ca 0.09 0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 3kye n LYS 40 Cb 0.47 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 3kye n LYS 40 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kye s SER 41 N -5.22 -0.23 -0.19 4.39 0.01 -1.01 -4.76 113.70 106.69 3kye s SER 41 Ca -0.17 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 3kye s SER 41 Cb 0.05 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.80 3kye s SER 41 CO 0.40 -0.85 0.50 -0.69 0.41 0.00 0.00 173.24 173.01 3kye s VAL 42 N -3.78 -0.00 -0.07 3.43 1.01 -1.26 -1.03 120.40 118.70 3kye s VAL 42 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3kye s VAL 42 Cb 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3kye s VAL 42 CO -0.12 0.00 -0.15 -2.28 0.00 0.00 0.00 175.10 172.55 3kye s HIS 43 N 0.37 1.71 0.00 5.22 2.46 -0.18 -4.75 115.29 120.13 3kye s HIS 43 Ca -0.01 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 54.89 3kye s HIS 43 Cb -0.04 -1.21 0.00 0.00 -0.13 0.00 0.00 32.58 31.20 3kye s HIS 43 CO -0.01 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.39 3kye n GLY 44 N 3.64 0.41 3.22 1.59 0.00 -1.26 -1.73 105.19 111.06 3kye n GLY 44 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3kye n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kye s LEU 45 N 0.00 2.21 0.84 0.99 1.43 -1.26 -4.78 118.68 118.11 3kye s LEU 45 Ca 0.00 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 3kye s LEU 45 Cb 0.00 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.54 3kye s LEU 45 CO 0.00 0.07 1.09 1.51 0.23 0.00 0.00 176.35 179.25 3kye s ASP 46 N -1.41 3.88 0.15 2.29 1.47 -1.26 -4.71 116.67 117.09 3kye s ASP 46 Ca 0.04 1.70 -0.20 0.00 1.18 0.00 0.00 52.55 55.27 3kye s ASP 46 Cb -0.09 -2.37 0.05 0.00 -0.34 0.00 0.00 42.92 40.17 3kye s ASP 46 CO 0.02 -2.41 1.64 -0.65 0.68 0.00 0.00 175.17 174.45 3kye h PRO 47 N -1.39 -0.15 -0.57 2.11 0.11 -2.00 -0.86 132.00 129.25 3kye h PRO 47 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kye h PRO 47 Cb 1.26 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3kye h PRO 47 CO 0.52 -0.10 0.36 0.22 -0.21 0.00 0.00 178.00 178.79 3kye h ASP 48 N -0.16 0.67 -0.55 -2.05 1.82 -2.00 -1.80 116.42 112.34 3kye h ASP 48 Ca 0.16 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3kye h ASP 48 Cb 0.39 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 3kye h ASP 48 CO -0.39 0.51 0.34 0.28 -1.61 0.00 0.00 179.24 178.36 3kye h SER 49 N 0.76 0.65 -0.77 2.28 0.02 -1.84 -2.04 113.55 112.62 3kye h SER 49 Ca 0.21 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3kye h SER 49 Cb -0.05 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 3kye h SER 49 CO -0.04 0.51 0.51 0.00 -1.14 0.00 0.00 176.83 176.67 3kye h ALA 50 N 1.17 1.62 -0.47 3.77 0.00 -0.87 -1.87 119.26 122.61 3kye h ALA 50 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kye h ALA 50 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kye h ALA 50 CO -0.04 0.28 0.23 -0.44 0.00 0.00 0.00 179.25 179.28 3kye h ASP 51 N 0.87 0.62 0.00 0.00 3.32 -0.79 -1.04 116.42 119.40 3kye h ASP 51 Ca 0.32 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kye h ASP 51 Cb 0.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kye h ASP 51 CO -0.11 0.57 0.00 1.41 -1.72 0.00 0.00 179.24 179.40 3kye n HIS 52 N -4.63 0.00 0.00 4.55 8.25 -0.70 -1.53 115.22 121.15 3kye n HIS 52 Ca 0.01 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3kye n HIS 52 Cb 0.11 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3kye n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kye n ALA 54 N 0.96 0.00 -0.04 -1.41 0.00 -0.40 -1.75 120.51 117.87 3kye n ALA 54 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3kye n ALA 54 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3kye n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kye h ALA 55 N 0.00 0.20 0.18 0.00 0.00 -1.37 -0.69 119.26 117.58 3kye h ALA 55 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kye h ALA 55 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kye h ALA 55 CO 0.00 -0.40 -0.09 1.25 0.00 0.00 0.00 179.25 180.01 3kye h LEU 56 N 0.11 -0.21 -0.99 0.00 5.85 -1.61 -2.32 115.31 116.15 3kye h LEU 56 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kye h LEU 56 Cb 0.09 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3kye h LEU 56 CO -0.13 -0.13 0.48 0.00 -0.34 0.00 0.00 178.44 178.32 3kye h ALA 57 N 0.55 1.23 -0.00 1.25 0.00 -1.79 -1.50 119.26 119.00 3kye h ALA 57 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3kye h ALA 57 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kye h ALA 57 CO 0.04 0.63 -0.56 0.66 0.00 0.00 0.00 179.25 180.02 3kye h SER 58 N 1.19 0.00 0.10 0.00 4.64 -1.00 -1.12 113.55 117.37 3kye h SER 58 Ca 0.30 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kye h SER 58 Cb 0.01 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kye h SER 58 CO -0.05 0.56 -0.05 1.23 -0.87 0.00 0.00 176.83 177.66 3kye h GLY 59 N 1.69 -0.14 0.91 -0.77 0.00 -0.79 -1.37 103.07 102.60 3kye h GLY 59 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3kye h GLY 59 CO 0.07 -0.05 0.37 1.41 0.00 0.00 0.00 176.54 178.35 3kye h LEU 60 N -0.25 0.62 0.03 3.11 3.38 -1.10 -1.48 115.31 119.62 3kye h LEU 60 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kye h LEU 60 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kye h LEU 60 CO 0.02 0.44 -0.01 0.22 0.09 0.00 0.00 178.44 179.19 3kye h TYR 61 N 0.74 -0.04 -0.36 1.13 3.20 -1.11 0.16 116.97 120.70 3kye h TYR 61 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3kye h TYR 61 Cb -0.01 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3kye h TYR 61 CO -0.05 -0.02 0.17 0.77 -1.64 0.00 0.00 178.16 177.39 3kye h SER 62 N -0.04 0.47 -0.67 -2.11 0.02 -0.95 -1.03 113.55 109.23 3kye h SER 62 Ca -0.00 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3kye h SER 62 Cb 0.03 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3kye h SER 62 CO 0.01 0.47 0.44 -0.07 -1.14 0.00 0.00 176.83 176.53 3kye h LEU 63 N 0.44 0.75 -0.68 5.07 3.38 -1.26 0.13 115.31 123.15 3kye h LEU 63 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kye h LEU 63 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3kye h LEU 63 CO -0.02 0.54 0.43 1.23 0.09 0.00 0.00 178.44 180.72 3kye h GLY 64 N 0.89 0.96 0.92 0.83 0.00 -0.74 -1.51 103.07 104.43 3kye h GLY 64 Ca 0.25 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3kye h GLY 64 CO -0.07 0.37 0.05 -0.09 0.00 0.00 0.00 176.54 176.80 3kye h ARG 65 N 0.92 0.62 -0.53 4.80 2.43 -0.36 -2.58 114.38 119.67 3kye h ARG 65 Ca 0.25 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3kye h ARG 65 Cb -0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3kye h ARG 65 CO -0.05 0.69 0.35 0.77 -1.51 0.00 0.00 179.97 180.22 3kye h SER 66 N 0.45 0.51 -0.31 -3.80 0.02 -0.48 -0.64 113.55 109.30 3kye h SER 66 Ca 0.11 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kye h SER 66 Cb 0.38 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3kye h SER 66 CO 0.01 0.35 0.17 0.00 -1.14 0.00 0.00 176.83 176.22 3kye h ALA 67 N 1.70 0.39 -0.98 3.77 0.00 -1.02 0.29 119.26 123.42 3kye h ALA 67 Ca 0.22 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3kye h ALA 67 Cb 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3kye h ALA 67 CO -0.06 -0.09 0.61 0.78 0.00 0.00 0.00 179.25 180.50 3kye h GLY 68 N 0.38 1.55 0.78 0.00 0.00 -0.79 0.70 103.07 105.68 3kye h GLY 68 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3kye h GLY 68 CO -0.02 0.03 -0.33 -2.22 0.00 0.00 0.00 176.54 174.00 3kye h ILE 69 N 0.77 1.38 0.00 2.60 2.04 -0.57 -0.27 117.51 123.46 3kye h ILE 69 Ca 0.52 -1.64 -0.13 0.00 1.00 0.00 0.00 64.86 64.61 3kye h ILE 69 Cb 0.80 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 3kye h ILE 69 CO -0.30 0.49 -0.63 -0.09 0.00 0.00 0.00 178.15 177.62 3kye h ARG 70 N 0.00 0.00 0.00 2.37 9.65 0.03 -3.40 114.38 123.04 3kye h ARG 70 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3kye h ARG 70 Cb 0.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 3kye h ARG 70 CO 0.07 0.63 -0.51 1.19 2.80 0.00 0.00 179.97 184.15 3kye n PHE 71 N -3.29 0.00 -0.93 2.20 3.01 0.19 -5.06 117.46 113.59 3kye n PHE 71 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3kye n PHE 71 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 3kye n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kye n GLY 72 N 1.38 2.92 1.28 1.37 0.00 -0.33 -5.01 105.19 106.81 3kye n GLY 72 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3kye n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kye n ASP 73 N 0.00 4.05 -1.13 1.61 5.68 -1.20 -4.81 116.55 120.75 3kye n ASP 73 Ca 0.00 -3.19 -0.10 0.00 -0.50 0.00 0.00 54.79 51.01 3kye n ASP 73 Cb 0.00 -0.62 -0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3kye n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kye n GLY 74 N -0.43 -0.01 3.51 6.12 0.00 -0.26 -4.98 105.19 109.14 3kye n GLY 74 Ca 0.28 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3kye n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kye s GLY 75 N -2.60 1.52 0.23 -0.02 0.00 -1.26 -4.86 107.32 100.33 3kye s GLY 75 Ca 0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 3kye s GLY 75 CO 0.02 0.34 0.85 0.99 0.00 0.00 0.00 173.10 175.30 3kye s ASP 76 N -3.04 7.42 0.14 1.64 -0.00 -1.26 -4.82 116.67 116.76 3kye s ASP 76 Ca 0.68 1.75 -0.32 0.00 -0.00 0.00 0.00 52.55 54.66 3kye s ASP 76 Cb -0.19 -2.54 -0.11 0.00 -0.00 0.00 0.00 42.92 40.07 3kye s ASP 76 CO 0.61 0.12 1.81 0.52 -0.00 0.00 0.00 175.17 178.22 3kye n VAL 77 N 1.25 0.28 0.00 -1.27 0.31 -1.26 -4.92 118.33 112.72 3kye n VAL 77 Ca -0.03 -0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.24 3kye n VAL 77 Cb 0.49 -2.07 -0.01 0.00 -0.91 0.00 0.00 33.84 31.34 3kye n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3kye h ARG 78 N 8.08 -0.11 -3.08 5.55 3.08 -1.95 -3.41 114.38 122.54 3kye h ARG 78 Ca -0.46 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 3kye h ARG 78 Cb 1.22 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 3kye h ARG 78 CO 0.95 -0.07 0.06 1.14 -1.07 0.00 0.00 179.97 180.98 3kye s GLN 79 N -1.86 1.14 -0.12 0.04 -2.07 -1.26 -3.70 119.66 111.82 3kye s GLN 79 Ca -0.02 -0.50 -0.01 0.00 -1.82 0.00 0.00 55.36 53.02 3kye s GLN 79 Cb 0.00 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.41 3kye s GLN 79 CO 0.05 -0.46 -0.09 0.08 -1.32 0.00 0.00 175.29 173.55 3kye s VAL 80 N -3.43 3.49 -0.14 3.63 1.01 0.15 -4.99 120.40 120.12 3kye s VAL 80 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3kye s VAL 80 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3kye s VAL 80 CO -0.10 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 3kye s VAL 81 N 0.07 1.51 -0.29 2.92 1.01 -1.26 -0.29 120.40 124.08 3kye s VAL 81 Ca -0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3kye s VAL 81 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3kye s VAL 81 CO 0.04 0.45 0.26 -0.69 0.00 0.00 0.00 175.10 175.15 3kye s VAL 82 N 1.46 5.26 -0.35 2.92 1.01 -0.09 -4.98 120.40 125.63 3kye s VAL 82 Ca 0.04 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 3kye s VAL 82 Cb -0.13 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3kye s VAL 82 CO -0.09 0.18 0.37 -0.70 0.00 0.00 0.00 175.10 174.86 3kye s GLU 83 N 1.87 3.50 0.34 2.72 2.12 -1.26 -1.35 118.70 126.64 3kye s GLU 83 Ca 0.10 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.00 3kye s GLU 83 Cb -0.16 -3.83 0.06 0.00 0.26 0.00 0.00 34.13 30.46 3kye s GLU 83 CO 0.11 -0.57 0.47 1.28 -0.54 0.00 0.00 175.26 176.01 3kye n LEU 84 N 5.41 0.00 -0.04 2.70 4.77 0.23 -5.02 117.00 125.06 3kye n LEU 84 Ca -0.09 -1.31 -0.12 0.00 -0.03 0.00 0.00 56.01 54.46 3kye n LEU 84 Cb 0.49 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3kye n LEU 84 CO 0.41 -0.66 0.57 -0.78 -1.33 0.00 0.00 177.39 175.60 3kye h ASP 85 N -0.06 -1.39 0.00 -1.43 3.58 -2.03 -3.36 116.42 111.73 3kye h ASP 85 Ca -0.16 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3kye h ASP 85 Cb 0.68 0.57 0.00 0.00 1.72 0.00 0.00 39.33 42.31 3kye h ASP 85 CO 0.21 -0.42 0.00 -1.54 -2.88 0.00 0.00 179.24 174.61 3kye n SER 86 N -5.43 0.49 -4.49 2.28 3.41 -1.26 -5.02 113.62 103.60 3kye n SER 86 Ca -0.03 -1.19 -0.24 0.00 -0.26 0.00 0.00 58.87 57.15 3kye n SER 86 Cb 0.36 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 3kye n SER 86 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kye s THR 87 N -0.19 1.86 0.01 6.66 -4.23 -1.26 -1.37 115.64 117.12 3kye s THR 87 Ca 0.00 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3kye s THR 87 Cb 0.00 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 3kye s THR 87 CO 0.00 -0.22 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.00 3kye s LEU 88 N -3.53 2.07 -0.22 4.79 1.02 0.63 -0.60 118.68 122.84 3kye s LEU 88 Ca 0.32 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 54.17 3kye s LEU 88 Cb 0.04 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 3kye s LEU 88 CO 0.14 0.07 -0.04 -0.22 0.02 0.00 0.00 176.35 176.32 3kye s LEU 89 N -0.53 2.90 -0.17 1.79 2.96 -0.46 -1.25 118.68 123.92 3kye s LEU 89 Ca 0.02 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3kye s LEU 89 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3kye s LEU 89 CO 0.00 -0.02 0.01 -0.36 -1.32 0.00 0.00 176.35 174.66 3kye s PHE 90 N 1.48 3.12 -0.16 5.38 0.08 0.10 -0.91 117.98 127.07 3kye s PHE 90 Ca 0.06 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3kye s PHE 90 Cb -0.14 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3kye s PHE 90 CO -0.03 0.01 -0.15 0.08 -0.10 0.00 0.00 175.22 175.03 3kye s VAL 91 N 0.48 1.68 0.23 -0.44 1.01 0.61 0.35 120.40 124.32 3kye s VAL 91 Ca -0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3kye s VAL 91 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3kye s VAL 91 CO 0.02 0.43 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 3kye s SER 92 N 1.43 2.39 0.20 3.32 1.04 0.85 -0.67 113.70 122.26 3kye s SER 92 Ca 0.04 -1.13 -0.31 0.00 0.48 0.00 0.00 55.95 55.04 3kye s SER 92 Cb -0.13 -0.10 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 3kye s SER 92 CO -0.11 -0.33 1.44 -0.89 0.98 0.00 0.00 173.24 174.34 3kye s THR 93 N -3.13 2.81 -0.12 2.02 2.01 -1.24 -0.45 115.64 117.54 3kye s THR 93 Ca 0.26 0.64 0.17 0.00 0.31 0.00 0.00 61.69 63.06 3kye s THR 93 Cb 0.03 -3.41 0.27 0.00 0.01 0.00 0.00 72.50 69.40 3kye s THR 93 CO 0.08 0.08 1.14 0.00 -0.69 0.00 0.00 174.62 175.24 3kye n ALA 94 N 2.96 2.35 0.00 7.40 0.00 0.12 -4.72 120.51 128.62 3kye n ALA 94 Ca 0.09 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 51.01 3kye n ALA 94 Cb 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3kye n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kye n GLY 95 N -1.25 0.99 3.62 0.00 0.00 -1.23 -4.78 105.19 102.54 3kye n GLY 95 Ca 0.15 -2.18 -0.52 0.00 0.00 0.00 0.00 46.02 43.47 3kye n GLY 95 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kye n SER 96 N 0.00 2.74 -0.04 1.61 2.88 -1.26 -1.22 113.62 118.33 3kye n SER 96 Ca 0.00 0.80 -0.01 0.00 -1.33 0.00 0.00 58.87 58.34 3kye n SER 96 Cb 0.00 -1.28 -0.00 0.00 -0.75 0.00 0.00 64.21 62.18 3kye n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kye n GLY 97 N 5.06 0.39 3.05 0.46 0.00 -1.26 -4.99 105.19 107.90 3kye n GLY 97 Ca 0.30 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 3kye n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kye s THR 98 N -1.74 0.70 0.04 2.61 2.01 -0.36 0.01 115.64 118.92 3kye s THR 98 Ca 0.00 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 3kye s THR 98 Cb 0.00 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3kye s THR 98 CO 0.00 -0.03 -0.02 0.00 -0.69 0.00 0.00 174.62 173.88 3kye s LEU 100 N -2.51 2.77 -0.11 0.00 2.96 0.40 -1.04 118.68 121.14 3kye s LEU 100 Ca 0.01 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3kye s LEU 100 Cb 0.03 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3kye s LEU 100 CO -0.07 0.22 -0.16 0.00 -1.32 0.00 0.00 176.35 175.02 3kye s ALA 101 N 0.01 1.75 -0.07 5.97 0.00 0.02 -0.11 121.76 129.33 3kye s ALA 101 Ca -0.04 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3kye s ALA 101 Cb -0.14 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3kye s ALA 101 CO 0.04 -0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.69 3kye s VAL 102 N 0.91 1.40 -0.17 0.00 1.01 0.15 -0.62 120.40 123.08 3kye s VAL 102 Ca -0.08 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3kye s VAL 102 Cb -0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3kye s VAL 102 CO -0.01 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 3kye s LEU 103 N 0.44 3.95 0.06 3.92 1.43 -0.54 0.02 118.68 127.95 3kye s LEU 103 Ca -0.13 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3kye s LEU 103 Cb -0.15 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3kye s LEU 103 CO 0.04 0.22 0.15 0.00 0.23 0.00 0.00 176.35 177.00 3kye s ALA 104 N 0.08 -0.17 0.54 4.21 0.00 -0.38 -0.97 121.76 125.07 3kye s ALA 104 Ca 0.06 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 3kye s ALA 104 Cb -0.12 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 3kye s ALA 104 CO 0.00 -0.40 1.09 0.20 0.00 0.00 0.00 175.76 176.64 3kye s GLY 105 N -2.44 2.46 0.49 0.00 0.00 0.15 -0.27 107.32 107.71 3kye s GLY 105 Ca -0.00 0.65 0.26 0.00 0.00 0.00 0.00 44.72 45.63 3kye s GLY 105 CO -0.07 0.99 1.86 -0.09 0.00 0.00 0.00 173.10 175.79 3kye h ARG 106 N 1.07 0.16 0.00 2.90 2.43 -1.53 0.95 114.38 120.36 3kye h ARG 106 Ca -0.49 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3kye h ARG 106 Cb 1.24 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3kye h ARG 106 CO 0.57 0.11 -0.01 0.93 -1.51 0.00 0.00 179.97 180.06 3kye h GLU 107 N 0.16 0.00 -6.64 0.20 3.07 -1.92 -3.44 114.58 106.01 3kye h GLU 107 Ca 0.47 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.77 3kye h GLU 107 Cb 1.59 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 29.58 3kye h GLU 107 CO -0.09 0.01 0.70 0.00 -1.40 0.00 0.00 179.01 178.23 3kye n ALA 108 N -2.50 1.54 -2.07 3.43 0.00 0.33 -4.90 120.51 116.33 3kye n ALA 108 Ca -0.03 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 3kye n ALA 108 Cb 0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 3kye n ALA 108 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kye s ASP 109 N 0.39 6.21 0.11 0.00 3.68 -1.26 -4.89 116.67 120.91 3kye s ASP 109 Ca 0.68 1.51 0.24 0.00 2.13 0.00 0.00 52.55 57.10 3kye s ASP 109 Cb -0.61 -2.53 0.93 0.00 -1.45 0.00 0.00 42.92 39.27 3kye s ASP 109 CO 0.49 -1.41 1.74 0.00 0.13 0.00 0.00 175.17 176.11 3kye n ALA 110 N 9.07 2.03 -0.01 3.66 0.00 -1.26 -1.42 120.51 132.58 3kye n ALA 110 Ca 0.20 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 3kye n ALA 110 Cb 0.46 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 3kye n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kye h ALA 111 N 2.61 0.03 -0.20 0.00 0.00 -1.99 -1.16 119.26 118.55 3kye h ALA 111 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3kye h ALA 111 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kye h ALA 111 CO 0.00 0.21 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 3kye h VAL 112 N -0.39 1.27 -0.71 0.00 2.07 -1.92 -2.45 116.25 114.12 3kye h VAL 112 Ca -0.06 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.59 3kye h VAL 112 Cb 1.19 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 3kye h VAL 112 CO 0.08 0.29 0.37 0.25 0.02 0.00 0.00 177.57 178.58 3kye h LEU 113 N 0.10 0.51 -0.62 2.57 5.85 -1.35 -0.07 115.31 122.29 3kye h LEU 113 Ca 0.05 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3kye h LEU 113 Cb 0.44 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3kye h LEU 113 CO 0.01 0.30 0.37 1.23 -0.34 0.00 0.00 178.44 180.01 3kye h GLY 114 N 0.64 0.91 2.00 3.75 0.00 -1.09 -2.88 103.07 106.41 3kye h GLY 114 Ca 0.34 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 3kye h GLY 114 CO -0.24 0.38 -0.73 0.10 0.00 0.00 0.00 176.54 176.05 3kye h TYR 115 N 0.85 0.00 0.00 5.60 -0.00 -0.92 -1.92 116.97 120.57 3kye h TYR 115 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.95 3kye h TYR 115 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3kye h TYR 115 CO -0.02 0.73 0.00 0.39 -0.00 0.00 0.00 178.16 179.26 3kye n GLU 116 N -3.65 0.55 -0.70 0.10 -0.58 -0.09 -4.65 120.64 111.62 3kye n GLU 116 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3kye n GLU 116 Cb 0.71 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 3kye n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kye n ALA 118 N 0.79 -0.13 0.00 0.62 0.00 -0.73 -4.66 120.51 116.41 3kye n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kye n ALA 118 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3kye n ALA 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kye n LEU 120 N -0.34 0.00 -0.22 0.00 0.00 -1.26 -2.05 117.00 113.14 3kye n LEU 120 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 3kye n LEU 120 Cb 0.06 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.52 3kye n LEU 120 CO 0.00 0.00 1.12 0.58 0.00 0.00 0.00 177.39 179.09 3kye h VAL 121 N 0.00 1.17 0.00 1.96 2.07 -1.93 -0.59 116.25 118.93 3kye h VAL 121 Ca 0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3kye h VAL 121 Cb 0.00 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3kye h VAL 121 CO 0.00 0.16 -0.19 0.11 0.02 0.00 0.00 177.57 177.67 3kye h LYS 122 N 0.83 0.00 0.03 1.57 1.57 -1.80 -2.61 116.57 116.16 3kye h LYS 122 Ca 0.22 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 3kye h LYS 122 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3kye h LYS 122 CO -0.05 0.19 -1.15 0.77 -0.57 0.00 0.00 179.45 178.65 3kye h SER 123 N 0.00 0.09 0.42 0.86 0.02 -1.60 -3.21 113.55 110.14 3kye h SER 123 Ca -0.00 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 3kye h SER 123 Cb 0.34 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kye h SER 123 CO 0.02 1.09 -0.46 0.58 -1.14 0.00 0.00 176.83 176.93 3kye h VAL 124 N 0.02 1.33 -0.48 2.27 2.07 -0.99 -3.35 116.25 117.13 3kye h VAL 124 Ca -0.07 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 65.96 3kye h VAL 124 Cb 1.84 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 33.34 3kye h VAL 124 CO 0.14 0.45 -0.25 -0.09 0.02 0.00 0.00 177.57 177.84 3kye h ARG 125 N 0.03 -0.14 0.00 1.57 2.43 -1.46 0.27 114.38 117.08 3kye h ARG 125 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kye h ARG 125 Cb 0.82 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3kye h ARG 125 CO 0.06 -0.10 -0.02 -1.00 -1.51 0.00 0.00 179.97 177.41 3kye h PRO 126 N -0.15 0.00 -0.21 0.20 0.13 -1.77 -1.98 132.00 128.22 3kye h PRO 126 Ca 0.22 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.17 3kye h PRO 126 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3kye h PRO 126 CO -0.56 0.02 -0.60 1.88 -0.23 0.00 0.00 178.00 178.51 3kye h TYR 127 N 0.00 0.90 0.00 1.56 -1.99 -1.18 -2.94 116.97 113.32 3kye h TYR 127 Ca -0.00 -0.34 -0.08 0.00 2.00 0.00 0.00 58.73 60.31 3kye h TYR 127 Cb 0.28 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 3kye h TYR 127 CO 0.00 1.12 -0.14 1.28 -0.00 0.00 0.00 178.16 180.43 3kye n LEU 128 N -3.96 4.68 0.00 3.88 4.77 -0.74 -4.98 117.00 120.65 3kye n LEU 128 Ca -0.04 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3kye n LEU 128 Cb 0.64 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3kye n LEU 128 CO 0.49 1.16 0.00 0.41 -1.33 0.00 0.00 177.39 178.12