#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kye h SER 11 N 0.00 0.12 -0.02 4.52 0.87 -1.98 0.09 113.55 117.15 3kye h SER 11 Ca 0.00 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3kye h SER 11 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3kye h SER 11 CO 0.00 0.09 -0.04 0.44 -0.53 0.00 0.00 176.83 176.79 3kye h ASP 12 N 0.14 -0.12 -0.59 6.23 5.19 -2.00 0.44 116.42 125.71 3kye h ASP 12 Ca 0.04 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3kye h ASP 12 Cb -0.01 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 3kye h ASP 12 CO -0.01 -0.06 0.10 -0.07 -3.12 0.00 0.00 179.24 176.08 3kye h LEU 13 N -0.07 0.95 -0.62 1.55 3.38 -1.89 -2.72 115.31 115.90 3kye h LEU 13 Ca 0.02 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3kye h LEU 13 Cb 0.10 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3kye h LEU 13 CO -0.06 0.95 0.22 0.44 0.09 0.00 0.00 178.44 180.09 3kye h ASP 14 N 0.94 0.21 -0.46 -0.43 5.19 -0.57 -0.73 116.42 120.56 3kye h ASP 14 Ca 0.19 0.08 0.09 0.00 -0.62 0.00 0.00 57.03 56.77 3kye h ASP 14 Cb 0.41 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.90 3kye h ASP 14 CO 0.01 0.12 -0.05 -0.25 -3.12 0.00 0.00 179.24 175.96 3kye h TRP 15 N 0.40 -0.11 0.00 4.55 2.91 -0.62 -1.14 115.95 121.93 3kye h TRP 15 Ca 0.31 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.37 3kye h TRP 15 Cb 0.40 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3kye h TRP 15 CO -0.17 -0.14 0.00 1.28 -1.03 0.00 0.00 178.44 178.37 3kye n LEU 16 N -5.27 0.92 0.00 0.65 4.77 -0.28 -0.99 117.00 116.80 3kye n LEU 16 Ca 0.04 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3kye n LEU 16 Cb 0.25 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kye n LEU 16 CO 0.15 0.17 0.00 -1.20 -1.33 0.00 0.00 177.39 175.18 3kye n SER 18 N 1.41 0.00 -0.32 -1.43 7.64 -0.43 -1.72 113.62 118.76 3kye n SER 18 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 3kye n SER 18 Cb 0.11 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.57 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 1.18 0.89 0.23 0.00 -1.33 0.14 103.07 104.17 3kye h GLY 19 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3kye h GLY 19 CO 0.00 -0.46 0.07 -2.00 0.00 0.00 0.00 176.54 174.15 3kye h LEU 20 N 0.04 0.27 -0.80 3.11 5.85 -1.61 -1.24 115.31 120.93 3kye h LEU 20 Ca 0.56 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.12 3kye h LEU 20 Cb 1.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3kye h LEU 20 CO -0.86 0.37 0.52 0.58 -0.34 0.00 0.00 178.44 178.71 3kye h VAL 21 N 0.16 1.21 -0.70 1.05 2.07 -1.28 -2.30 116.25 116.45 3kye h VAL 21 Ca 0.06 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3kye h VAL 21 Cb 0.18 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3kye h VAL 21 CO -0.00 0.21 0.24 1.56 0.02 0.00 0.00 177.57 179.60 3kye h GLN 22 N 1.09 1.07 0.00 1.57 4.20 -0.65 -2.86 115.11 119.53 3kye h GLN 22 Ca 0.29 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3kye h GLN 22 Cb -0.11 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.50 3kye h GLN 22 CO -0.06 0.91 -0.14 0.00 -0.67 0.00 0.00 178.83 178.86 3kye h ARG 23 N 1.02 0.00 -4.22 1.46 3.08 -0.97 -3.41 114.38 111.33 3kye h ARG 23 Ca 0.23 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.62 3kye h ARG 23 Cb 0.26 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.92 3kye h ARG 23 CO -0.01 0.14 -0.67 0.08 -1.07 0.00 0.00 179.97 178.44 3kye s VAL 24 N -3.66 2.48 0.15 2.04 1.01 -0.89 -5.05 120.40 116.49 3kye s VAL 24 Ca 0.01 -2.67 -0.31 0.00 0.00 0.00 0.00 61.98 59.01 3kye s VAL 24 Cb 0.10 -2.78 -0.18 0.00 0.00 0.00 0.00 36.38 33.52 3kye s VAL 24 CO 0.61 -0.68 0.72 -2.65 0.00 0.00 0.00 175.10 173.10 3kye n PRO 25 N 3.87 0.13 -0.44 2.72 -0.02 -1.26 -2.31 135.00 137.70 3kye n PRO 25 Ca 0.04 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3kye n PRO 25 Cb 0.39 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 0.48 0.00 -2.71 6.00 8.25 -1.26 -4.50 115.22 121.49 3kye n HIS 26 Ca 0.18 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.29 3kye n HIS 26 Cb 0.21 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 3kye n HIS 26 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kye s THR 27 N -3.28 4.11 0.00 1.59 -4.23 -0.98 -0.88 115.64 111.97 3kye s THR 27 Ca 0.00 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 3kye s THR 27 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3kye s THR 27 CO 0.00 -0.14 0.00 0.35 -0.54 0.00 0.00 174.62 174.29 3kye n THR 28 N -0.32 0.00 -3.44 3.99 -2.24 -0.30 -4.91 114.28 107.06 3kye n THR 28 Ca 0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3kye n THR 28 Cb 0.52 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.24 -0.54 -0.10 3.42 1.04 -1.20 -4.52 113.70 109.56 3kye s SER 29 Ca 0.00 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 3kye s SER 29 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 3kye s SER 29 CO 0.00 -0.88 0.20 0.00 0.98 0.00 0.00 173.24 173.54 3kye s ALA 30 N -3.47 -0.36 -0.05 5.32 0.00 -0.43 -1.73 121.76 121.04 3kye s ALA 30 Ca 0.01 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.79 3kye s ALA 30 Cb -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3kye s ALA 30 CO -0.11 -0.44 -0.24 0.08 0.00 0.00 0.00 175.76 175.04 3kye s VAL 31 N 1.93 2.12 -0.22 0.00 1.01 0.70 -0.78 120.40 125.16 3kye s VAL 31 Ca -0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 3kye s VAL 31 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3kye s VAL 31 CO -0.07 0.57 0.14 -0.22 0.00 0.00 0.00 175.10 175.53 3kye s LEU 32 N -0.27 4.16 0.08 3.92 2.96 -0.02 -0.18 118.68 129.33 3kye s LEU 32 Ca -0.00 0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3kye s LEU 32 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3kye s LEU 32 CO 0.03 0.12 -0.14 -1.48 -1.32 0.00 0.00 176.35 173.56 3kye s LEU 33 N 0.71 2.30 0.58 -0.68 2.34 0.11 -0.30 118.68 123.75 3kye s LEU 33 Ca 0.08 -0.65 -0.18 0.00 0.06 0.00 0.00 54.13 53.43 3kye s LEU 33 Cb -0.12 -0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 44.94 3kye s LEU 33 CO 0.01 -0.09 1.15 -0.94 -1.06 0.00 0.00 176.35 175.43 3kye s SER 34 N -1.87 5.42 0.49 1.48 1.04 0.25 -0.16 113.70 120.35 3kye s SER 34 Ca 0.00 2.21 0.21 0.00 0.48 0.00 0.00 55.95 58.85 3kye s SER 34 Cb -0.09 -2.58 1.26 0.00 0.10 0.00 0.00 66.02 64.71 3kye s SER 34 CO 0.02 -1.43 2.05 0.00 0.98 0.00 0.00 173.24 174.87 3kye n ASP 36 N -4.01 0.96 0.00 0.00 5.68 -1.26 -4.75 116.55 113.17 3kye n ASP 36 Ca -0.02 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 3kye n ASP 36 Cb 0.22 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 3kye n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kye n GLY 37 N 0.13 0.40 3.67 6.12 0.00 0.08 -5.05 105.19 110.55 3kye n GLY 37 Ca 0.01 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 3.64 0.16 0.99 1.43 -1.24 -4.16 118.68 119.49 3kye s LEU 38 Ca 0.00 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.92 3kye s LEU 38 Cb 0.00 -1.86 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 3kye s LEU 38 CO 0.00 0.33 1.61 -0.69 0.23 0.00 0.00 176.35 177.82 3kye s VAL 39 N -0.56 2.61 -0.15 -1.59 1.01 -1.26 -0.59 120.40 119.86 3kye s VAL 39 Ca 0.10 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.56 3kye s VAL 39 Cb -0.12 -3.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.85 3kye s VAL 39 CO 0.02 0.03 -0.01 0.29 0.00 0.00 0.00 175.10 175.43 3kye n LYS 40 N 4.25 1.35 -3.53 2.72 5.02 0.60 -4.89 118.16 123.68 3kye n LYS 40 Ca 0.14 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 3kye n LYS 40 Cb 0.38 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 3kye n LYS 40 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kye s SER 41 N -5.02 -0.41 -0.09 4.39 1.04 -1.15 -4.84 113.70 107.62 3kye s SER 41 Ca -0.12 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 3kye s SER 41 Cb 0.05 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.58 3kye s SER 41 CO 0.54 -0.53 0.32 0.54 0.98 0.00 0.00 173.24 175.09 3kye s VAL 42 N -2.20 0.02 -0.08 5.02 0.11 -1.26 -0.84 120.40 121.17 3kye s VAL 42 Ca 0.01 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 3kye s VAL 42 Cb -0.01 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3kye s VAL 42 CO -0.03 -0.08 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.19 3kye s HIS 43 N -0.25 2.04 0.00 1.54 2.46 0.03 -4.81 115.29 116.31 3kye s HIS 43 Ca -0.04 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 54.70 3kye s HIS 43 Cb -0.03 -1.40 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 3kye s HIS 43 CO 0.01 -0.34 0.00 0.41 -2.47 0.00 0.00 174.74 172.36 3kye n GLY 44 N 3.59 0.66 3.25 1.59 0.00 -1.26 -1.31 105.19 111.72 3kye n GLY 44 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 2.04 0.92 0.99 1.43 -1.26 -4.76 118.68 118.04 3kye s LEU 45 Ca 0.00 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 3kye s LEU 45 Cb 0.00 -1.22 0.13 0.00 0.03 0.00 0.00 46.19 45.13 3kye s LEU 45 CO 0.00 0.27 1.02 -0.90 0.23 0.00 0.00 176.35 176.97 3kye n ASP 46 N 2.65 -0.06 0.02 2.29 5.75 -1.26 -4.70 116.55 121.24 3kye n ASP 46 Ca -0.16 0.41 0.01 0.00 -0.01 0.00 0.00 54.79 55.04 3kye n ASP 46 Cb 0.52 -1.43 0.35 0.00 -1.03 0.00 0.00 41.12 39.53 3kye n ASP 46 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3kye h PRO 47 N -1.84 0.48 -0.05 0.11 0.11 -2.00 -0.89 132.00 127.92 3kye h PRO 47 Ca -0.43 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3kye h PRO 47 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kye h PRO 47 CO 0.40 0.46 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.21 3kye h ASP 48 N 0.47 0.10 -0.30 -2.05 3.32 -2.00 -2.58 116.42 113.38 3kye h ASP 48 Ca 0.11 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3kye h ASP 48 Cb 0.22 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kye h ASP 48 CO -0.00 0.42 0.15 0.28 -1.72 0.00 0.00 179.24 178.37 3kye h SER 49 N -0.22 0.43 -0.46 6.45 0.02 -1.84 -2.44 113.55 115.49 3kye h SER 49 Ca 0.01 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 3kye h SER 49 Cb 0.37 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3kye h SER 49 CO 0.00 0.38 -0.06 0.00 -1.14 0.00 0.00 176.83 176.02 3kye h ALA 50 N 1.69 0.92 -0.34 3.77 0.00 -1.06 -2.32 119.26 121.92 3kye h ALA 50 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3kye h ALA 50 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kye h ALA 50 CO -0.01 0.63 -0.07 -0.44 0.00 0.00 0.00 179.25 179.36 3kye h ASP 51 N 0.83 0.53 0.00 0.00 3.32 -1.04 0.17 116.42 120.23 3kye h ASP 51 Ca 0.14 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kye h ASP 51 Cb 0.58 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3kye h ASP 51 CO 0.04 0.65 0.00 1.41 -1.72 0.00 0.00 179.24 179.62 3kye n HIS 52 N -4.22 0.00 0.00 4.55 8.25 -0.87 -1.66 115.22 121.26 3kye n HIS 52 Ca 0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3kye n HIS 52 Cb 0.30 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.56 0.00 0.13 -1.41 0.00 0.58 -0.28 120.51 120.08 3kye n ALA 54 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kye n ALA 54 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.32 -0.37 0.00 0.00 -1.48 -1.62 119.26 115.48 3kye h ALA 55 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kye h ALA 55 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kye h ALA 55 CO 0.00 -0.54 0.14 -0.07 0.00 0.00 0.00 179.25 178.79 3kye h LEU 56 N -0.61 0.51 -0.92 0.00 3.38 -0.91 -1.84 115.31 114.91 3kye h LEU 56 Ca -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kye h LEU 56 Cb 0.44 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3kye h LEU 56 CO 0.05 0.54 0.45 0.00 0.09 0.00 0.00 178.44 179.58 3kye h ALA 57 N 0.99 1.17 0.00 1.53 0.00 -1.79 -0.31 119.26 120.85 3kye h ALA 57 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kye h ALA 57 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kye h ALA 57 CO -0.01 0.65 -0.22 0.66 0.00 0.00 0.00 179.25 180.34 3kye h SER 58 N 1.22 0.00 -0.09 0.00 4.64 -1.09 -0.06 113.55 118.17 3kye h SER 58 Ca 0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 3kye h SER 58 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kye h SER 58 CO -0.05 0.22 -0.09 1.23 -0.87 0.00 0.00 176.83 177.27 3kye h GLY 59 N 1.91 0.25 0.93 -0.77 0.00 -0.34 0.42 103.07 105.48 3kye h GLY 59 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.09 3kye h GLY 59 CO 0.03 0.23 0.30 1.41 0.00 0.00 0.00 176.54 178.51 3kye h LEU 60 N -0.19 0.50 -0.24 3.11 3.38 -0.77 -1.62 115.31 119.49 3kye h LEU 60 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kye h LEU 60 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3kye h LEU 60 CO 0.02 0.36 0.15 0.22 0.09 0.00 0.00 178.44 179.28 3kye h TYR 61 N 0.61 0.32 -0.98 1.13 3.20 -0.93 -0.47 116.97 119.85 3kye h TYR 61 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3kye h TYR 61 Cb -0.02 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 3kye h TYR 61 CO -0.06 0.25 0.64 1.03 -1.64 0.00 0.00 178.16 178.39 3kye h SER 62 N 0.30 1.10 -0.23 -2.11 0.87 -0.57 0.39 113.55 113.30 3kye h SER 62 Ca 0.09 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 3kye h SER 62 Cb 0.02 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3kye h SER 62 CO -0.02 0.78 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.53 3kye h LEU 63 N 1.29 0.81 -1.26 2.23 3.38 -1.02 -1.84 115.31 118.90 3kye h LEU 63 Ca 0.37 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3kye h LEU 63 Cb -0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 3kye h LEU 63 CO -0.10 1.21 0.51 1.23 0.09 0.00 0.00 178.44 181.38 3kye h GLY 64 N 0.45 1.08 0.85 0.83 0.00 -0.57 -1.24 103.07 104.49 3kye h GLY 64 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3kye h GLY 64 CO 0.10 0.36 0.04 -0.09 0.00 0.00 0.00 176.54 176.95 3kye h ARG 65 N 1.00 0.37 -0.63 4.80 2.43 -0.10 -0.78 114.38 121.47 3kye h ARG 65 Ca 0.30 -0.10 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 3kye h ARG 65 Cb -0.04 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.38 3kye h ARG 65 CO -0.08 0.51 0.17 0.77 -1.51 0.00 0.00 179.97 179.83 3kye h SER 66 N 0.18 0.06 -0.66 -3.80 0.02 -0.85 -0.67 113.55 107.83 3kye h SER 66 Ca 0.07 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3kye h SER 66 Cb 0.32 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3kye h SER 66 CO 0.00 0.03 0.40 0.00 -1.14 0.00 0.00 176.83 176.13 3kye h ALA 67 N 1.49 0.86 -0.12 3.77 0.00 -0.90 -2.10 119.26 122.27 3kye h ALA 67 Ca 0.34 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3kye h ALA 67 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kye h ALA 67 CO -0.40 0.15 0.01 0.78 0.00 0.00 0.00 179.25 179.79 3kye h GLY 68 N 0.79 0.12 0.68 0.00 0.00 0.27 0.24 103.07 105.17 3kye h GLY 68 Ca 0.27 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.70 3kye h GLY 68 CO -0.11 -0.01 0.59 -2.22 0.00 0.00 0.00 176.54 174.79 3kye h ILE 69 N 0.06 0.97 0.17 2.60 2.04 -0.79 1.20 117.51 123.76 3kye h ILE 69 Ca 0.05 -0.32 -0.34 0.00 1.00 0.00 0.00 64.86 65.25 3kye h ILE 69 Cb 0.05 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3kye h ILE 69 CO -0.08 0.17 -1.74 0.03 0.00 0.00 0.00 178.15 176.52 3kye h ARG 70 N 0.93 0.35 0.00 2.37 2.47 -0.81 -3.41 114.38 116.28 3kye h ARG 70 Ca 0.43 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3kye h ARG 70 Cb 0.41 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3kye h ARG 70 CO -0.19 1.29 -1.28 1.19 0.56 0.00 0.00 179.97 181.54 3kye n PHE 71 N -3.63 0.00 -1.69 3.04 3.72 0.80 -5.02 117.46 114.68 3kye n PHE 71 Ca -0.26 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.84 3kye n PHE 71 Cb 1.04 -0.18 0.19 0.00 -0.94 0.00 0.00 39.48 39.60 3kye n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kye s GLY 72 N -2.86 1.71 -0.39 1.37 0.00 0.41 -5.00 107.32 102.56 3kye s GLY 72 Ca -0.02 -1.09 0.11 0.00 0.00 0.00 0.00 44.72 43.72 3kye s GLY 72 CO 0.37 -0.31 0.99 2.09 0.00 0.00 0.00 173.10 176.24 3kye n ASP 73 N -4.01 2.91 0.00 1.64 3.85 -1.26 -4.85 116.55 114.82 3kye n ASP 73 Ca 0.14 -3.21 0.00 0.00 -0.71 0.00 0.00 54.79 51.01 3kye n ASP 73 Cb 0.59 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3kye n ASP 73 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kye n GLY 74 N -0.21 3.12 3.71 6.12 0.00 -1.26 -5.10 105.19 111.57 3kye n GLY 74 Ca 0.24 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.63 0.66 -0.02 0.00 -1.26 -5.04 107.32 103.29 3kye s GLY 75 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.71 3kye s GLY 75 CO 0.00 0.53 0.97 -0.35 0.00 0.00 0.00 173.10 174.25 3kye s ASP 76 N -3.30 5.20 0.33 1.64 2.15 -1.26 -4.87 116.67 116.57 3kye s ASP 76 Ca 0.64 0.62 -0.28 0.00 0.43 0.00 0.00 52.55 53.95 3kye s ASP 76 Cb -0.19 -1.43 -0.12 0.00 -0.30 0.00 0.00 42.92 40.88 3kye s ASP 76 CO 0.57 -1.35 1.28 0.55 -0.17 0.00 0.00 175.17 176.05 3kye n VAL 77 N -2.78 1.93 -0.07 1.11 3.14 -1.26 -4.89 118.33 115.50 3kye n VAL 77 Ca 0.06 -0.48 -0.18 0.00 -2.96 0.00 0.00 64.34 60.79 3kye n VAL 77 Cb 0.59 -1.52 -0.13 0.00 -1.06 0.00 0.00 33.84 31.71 3kye n VAL 77 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kye n ARG 78 N 0.67 0.69 -3.56 1.45 1.74 -1.26 -4.55 116.66 111.83 3kye n ARG 78 Ca 0.05 0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 57.18 3kye n ARG 78 Cb 0.35 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3kye n ARG 78 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kye s GLN 79 N -2.54 0.80 -0.10 5.56 0.74 -1.26 -2.02 119.66 120.84 3kye s GLN 79 Ca -0.25 0.29 0.03 0.00 0.05 0.00 0.00 55.36 55.48 3kye s GLN 79 Cb 0.08 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.57 3kye s GLN 79 CO 0.70 -0.23 -0.18 0.08 -0.55 0.00 0.00 175.29 175.12 3kye s VAL 80 N -0.92 1.63 -0.13 1.34 1.01 0.26 -4.98 120.40 118.60 3kye s VAL 80 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3kye s VAL 80 Cb -0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3kye s VAL 80 CO 0.04 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 3kye s VAL 81 N 0.67 2.86 -0.23 2.92 1.01 -1.26 -0.29 120.40 126.08 3kye s VAL 81 Ca -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3kye s VAL 81 Cb -0.16 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3kye s VAL 81 CO 0.03 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 3kye s VAL 82 N 0.48 4.10 -0.32 2.92 1.01 0.72 -4.98 120.40 124.33 3kye s VAL 82 Ca -0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 3kye s VAL 82 Cb -0.16 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3kye s VAL 82 CO 0.05 0.37 0.18 -0.70 0.00 0.00 0.00 175.10 174.99 3kye s GLU 83 N 1.44 3.34 0.55 2.72 2.12 -1.26 -1.07 118.70 126.54 3kye s GLU 83 Ca 0.05 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.74 3kye s GLU 83 Cb -0.15 -3.63 0.06 0.00 0.26 0.00 0.00 34.13 30.68 3kye s GLU 83 CO 0.02 -0.44 0.65 -0.51 -0.54 0.00 0.00 175.26 174.45 3kye s LEU 84 N 1.63 3.05 0.18 2.70 1.43 0.28 -5.02 118.68 122.94 3kye s LEU 84 Ca 0.05 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 3kye s LEU 84 Cb -0.17 -1.60 0.14 0.00 0.03 0.00 0.00 46.19 44.58 3kye s LEU 84 CO 0.07 -1.21 1.62 0.44 0.23 0.00 0.00 176.35 177.50 3kye h ASP 85 N 0.40 -0.82 0.00 2.29 3.45 -2.03 -3.29 116.42 116.42 3kye h ASP 85 Ca -0.33 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.32 3kye h ASP 85 Cb 1.29 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 40.50 3kye h ASP 85 CO 0.46 -0.26 0.00 -1.54 -1.57 0.00 0.00 179.24 176.33 3kye n SER 86 N -5.41 1.35 -4.02 6.45 3.41 -1.26 -5.00 113.62 109.13 3kye n SER 86 Ca 0.04 -1.57 -0.10 0.00 -0.26 0.00 0.00 58.87 56.98 3kye n SER 86 Cb 0.32 0.00 -0.07 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 -0.57 0.00 0.00 6.66 -4.23 -1.24 -1.54 115.64 114.72 3kye s THR 87 Ca 0.00 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3kye s THR 87 Cb 0.00 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 3kye s THR 87 CO 0.00 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.24 3kye s LEU 88 N -3.07 2.06 -0.20 4.79 1.43 0.10 -0.55 118.68 123.25 3kye s LEU 88 Ca 0.27 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3kye s LEU 88 Cb 0.01 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.84 3kye s LEU 88 CO 0.10 0.06 -0.11 -0.22 0.23 0.00 0.00 176.35 176.41 3kye s LEU 89 N -0.43 2.59 -0.15 1.79 2.96 -0.24 -1.07 118.68 124.13 3kye s LEU 89 Ca 0.01 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3kye s LEU 89 Cb -0.04 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3kye s LEU 89 CO -0.00 0.01 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.67 3kye s PHE 90 N 1.28 3.10 -0.22 5.38 0.08 0.47 -0.20 117.98 127.88 3kye s PHE 90 Ca 0.03 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3kye s PHE 90 Cb -0.14 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3kye s PHE 90 CO -0.06 0.09 -0.14 0.08 -0.10 0.00 0.00 175.22 175.10 3kye s VAL 91 N 0.18 1.97 -0.09 -0.44 1.01 0.60 -0.21 120.40 123.42 3kye s VAL 91 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 3kye s VAL 91 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3kye s VAL 91 CO 0.02 0.21 -0.02 -0.44 0.00 0.00 0.00 175.10 174.87 3kye s SER 92 N 1.25 5.07 0.07 3.32 0.01 0.10 -0.58 113.70 122.94 3kye s SER 92 Ca -0.02 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 3kye s SER 92 Cb -0.17 -1.44 -0.08 0.00 0.21 0.00 0.00 66.02 64.55 3kye s SER 92 CO -0.08 0.35 1.53 -0.89 0.41 0.00 0.00 173.24 174.56 3kye s THR 93 N -0.72 3.23 -1.78 1.44 2.01 -0.86 -0.93 115.64 118.03 3kye s THR 93 Ca 0.11 0.73 0.15 0.00 0.31 0.00 0.00 61.69 62.99 3kye s THR 93 Cb -0.12 -3.47 0.10 0.00 0.01 0.00 0.00 72.50 69.03 3kye s THR 93 CO 0.02 0.01 0.94 0.00 -0.69 0.00 0.00 174.62 174.91 3kye n ALA 94 N 5.12 2.55 -0.13 7.40 0.00 -0.41 -4.90 120.51 130.14 3kye n ALA 94 Ca 0.14 -0.60 0.02 0.00 0.00 0.00 0.00 53.44 53.00 3kye n ALA 94 Cb 0.41 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 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 0.87 -1.95 3.66 0.00 0.00 -1.23 -4.85 105.19 101.69 3kye n GLY 95 Ca 0.08 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 3kye n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kye n SER 96 N -2.56 -5.81 -2.51 1.61 7.64 -1.26 -1.56 113.62 109.17 3kye n SER 96 Ca -0.00 -0.60 -0.19 0.00 1.01 0.00 0.00 58.87 59.08 3kye n SER 96 Cb 0.06 -4.60 0.02 0.00 -1.01 0.00 0.00 64.21 58.68 3kye n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kye n GLY 97 N -1.86 -0.38 3.15 0.23 0.00 -1.26 -4.96 105.19 100.11 3kye n GLY 97 Ca 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.05 1.06 0.09 2.61 2.01 -0.60 0.27 115.64 118.03 3kye s THR 98 Ca 0.19 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 61.05 3kye s THR 98 Cb -0.08 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3kye s THR 98 CO 0.23 -0.16 -0.11 0.00 -0.69 0.00 0.00 174.62 173.90 3kye s LEU 100 N -2.24 3.11 -0.19 0.00 2.96 -0.10 0.09 118.68 122.30 3kye s LEU 100 Ca 0.03 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3kye s LEU 100 Cb -0.05 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3kye s LEU 100 CO 0.00 0.04 -0.10 0.00 -1.32 0.00 0.00 176.35 174.98 3kye s ALA 101 N 1.13 2.66 -0.06 5.97 0.00 0.75 0.00 121.76 132.20 3kye s ALA 101 Ca 0.02 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.89 3kye s ALA 101 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3kye s ALA 101 CO 0.01 -0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.38 3kye s VAL 102 N 1.23 1.52 -0.02 0.00 1.01 0.71 -0.22 120.40 124.64 3kye s VAL 102 Ca 0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3kye s VAL 102 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3kye s VAL 102 CO -0.04 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.80 3kye s LEU 103 N 0.20 3.81 0.00 3.92 1.43 -0.70 -0.40 118.68 126.95 3kye s LEU 103 Ca -0.09 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 3kye s LEU 103 Cb -0.14 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 43.95 3kye s LEU 103 CO 0.04 0.29 0.39 0.00 0.23 0.00 0.00 176.35 177.29 3kye s ALA 104 N -1.14 -0.97 0.62 4.21 0.00 -0.23 -1.15 121.76 123.10 3kye s ALA 104 Ca 0.21 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 3kye s ALA 104 Cb -0.12 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3kye s ALA 104 CO 0.12 -0.34 1.09 0.20 0.00 0.00 0.00 175.76 176.82 3kye s GLY 105 N -1.57 2.18 0.00 0.00 0.00 -0.06 0.02 107.32 107.89 3kye s GLY 105 Ca -0.10 0.49 0.09 0.00 0.00 0.00 0.00 44.72 45.20 3kye s GLY 105 CO 0.02 0.83 1.09 0.54 0.00 0.00 0.00 173.10 175.59 3kye n ARG 106 N -2.13 0.19 0.00 2.90 1.74 -0.59 -1.68 116.66 117.09 3kye n ARG 106 Ca 0.10 0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.43 3kye n ARG 106 Cb 0.52 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.97 3kye n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kye n GLU 107 N -1.17 0.27 -2.21 5.56 4.71 -1.26 -4.94 120.64 121.60 3kye n GLU 107 Ca 0.05 -0.09 -0.37 0.00 -0.01 0.00 0.00 57.16 56.74 3kye n GLU 107 Cb 0.05 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 28.98 3kye n GLU 107 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kye s ALA 108 N -2.79 2.92 -0.61 0.62 0.00 -0.68 -4.96 121.76 116.26 3kye s ALA 108 Ca 0.19 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 3kye s ALA 108 Cb 0.19 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3kye s ALA 108 CO 0.56 -0.74 1.25 0.34 0.00 0.00 0.00 175.76 177.16 3kye s ASP 109 N -1.37 6.33 0.56 0.00 3.68 -1.26 -4.91 116.67 119.70 3kye s ASP 109 Ca 0.65 0.01 0.24 0.00 2.13 0.00 0.00 52.55 55.59 3kye s ASP 109 Cb -0.29 -2.55 1.57 0.00 -1.45 0.00 0.00 42.92 40.20 3kye s ASP 109 CO 0.35 -1.60 2.19 0.00 0.13 0.00 0.00 175.17 176.24 3kye h ALA 110 N 9.91 1.77 -0.02 3.66 0.00 -1.97 -1.35 119.26 131.26 3kye h ALA 110 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kye h ALA 110 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kye h ALA 110 CO 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 180.42 3kye h ALA 111 N 1.97 0.03 -0.03 0.00 0.00 -1.99 -2.01 119.26 117.23 3kye h ALA 111 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kye h ALA 111 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kye h ALA 111 CO -0.00 -0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.15 3kye h VAL 112 N -0.20 1.40 -0.96 0.00 2.07 -1.75 -2.44 116.25 114.37 3kye h VAL 112 Ca 0.01 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3kye h VAL 112 Cb 0.24 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3kye h VAL 112 CO 0.00 0.33 0.63 0.25 0.02 0.00 0.00 177.57 178.80 3kye h LEU 113 N -0.41 1.06 -0.59 2.57 6.46 -1.38 0.48 115.31 123.50 3kye h LEU 113 Ca 0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3kye h LEU 113 Cb 0.55 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3kye h LEU 113 CO 0.01 0.74 0.34 1.23 -0.62 0.00 0.00 178.44 180.14 3kye h GLY 114 N 1.24 0.86 0.76 3.75 0.00 -1.38 -3.09 103.07 105.20 3kye h GLY 114 Ca 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3kye h GLY 114 CO -0.11 0.35 -0.05 -1.82 0.00 0.00 0.00 176.54 174.92 3kye h TYR 115 N 0.79 0.35 0.00 5.60 3.20 -0.60 -2.84 116.97 123.47 3kye h TYR 115 Ca 0.21 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3kye h TYR 115 Cb -0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3kye h TYR 115 CO -0.02 0.59 0.00 0.39 -1.64 0.00 0.00 178.16 177.49 3kye n GLU 116 N -4.67 0.08 -0.48 1.82 -0.58 0.15 -4.65 120.64 112.31 3kye n GLU 116 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3kye n GLU 116 Cb 0.27 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.66 -0.07 0.00 0.62 0.00 -1.07 -4.66 120.51 115.98 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 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.24 0.00 -0.34 0.00 7.94 -1.26 -2.63 117.00 120.47 3kye n LEU 120 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3kye n LEU 120 Cb 0.04 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.08 3kye n LEU 120 CO 0.00 0.00 1.24 0.58 -1.11 0.00 0.00 177.39 178.10 3kye h VAL 121 N 0.00 1.25 -0.09 1.96 2.07 -1.97 -0.06 116.25 119.42 3kye h VAL 121 Ca 0.00 -0.49 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 3kye h VAL 121 Cb 0.00 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3kye h VAL 121 CO 0.00 0.25 -0.80 0.11 0.02 0.00 0.00 177.57 177.14 3kye h LYS 122 N 1.26 0.56 -0.59 1.57 1.57 -1.88 -3.30 116.57 115.76 3kye h LYS 122 Ca 0.33 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3kye h LYS 122 Cb -0.10 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3kye h LYS 122 CO -0.07 1.11 0.30 1.03 -0.57 0.00 0.00 179.45 181.25 3kye h SER 123 N 0.37 0.73 1.85 0.86 0.87 -1.57 -2.27 113.55 114.39 3kye h SER 123 Ca -0.05 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3kye h SER 123 Cb 1.41 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3kye h SER 123 CO 0.15 0.61 0.00 -0.37 -0.53 0.00 0.00 176.83 176.69 3kye h VAL 124 N 0.82 0.00 -0.86 2.23 -1.51 -1.15 -3.37 116.25 112.42 3kye h VAL 124 Ca 0.21 -0.87 0.21 0.00 -1.23 0.00 0.00 66.70 65.02 3kye h VAL 124 Cb 0.06 1.87 -0.13 0.00 -2.13 0.00 0.00 31.29 30.96 3kye h VAL 124 CO -0.03 0.00 0.28 -0.09 -1.23 0.00 0.00 177.57 176.50 3kye h ARG 125 N 0.00 0.28 -0.22 5.19 2.43 -1.48 0.21 114.38 120.78 3kye h ARG 125 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3kye h ARG 125 Cb 0.93 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3kye h ARG 125 CO 0.00 0.18 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.20 3kye h PRO 126 N 0.29 0.34 0.00 0.20 0.11 -1.78 -2.08 132.00 129.08 3kye h PRO 126 Ca 0.53 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3kye h PRO 126 Cb 1.02 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kye h PRO 126 CO -0.58 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 178.32 3kye n TYR 127 N -4.27 0.00 0.60 0.65 4.02 0.70 -5.25 117.16 113.62 3kye n TYR 127 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 3kye n TYR 127 Cb 0.27 -0.07 0.06 0.00 -0.02 0.00 0.00 39.34 39.57 3kye n TYR 127 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13