#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 s THR 2 N 0.00 0.09 0.00 2.03 -4.23 -1.26 -5.06 115.64 107.22 1yl3 s THR 2 Ca 0.00 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1yl3 s THR 2 Cb 0.00 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1yl3 s THR 2 CO 0.00 -0.43 0.86 -0.38 -0.54 0.00 0.00 174.62 174.13 1yl3 n ILE 3 N -0.16 0.00 -0.37 2.99 5.41 -1.26 -0.96 119.36 125.01 1yl3 n ILE 3 Ca -0.11 1.36 0.33 0.00 1.00 0.00 0.00 62.75 65.33 1yl3 n ILE 3 Cb 0.63 -2.11 0.59 0.00 -0.71 0.00 0.00 39.64 38.04 1yl3 n ILE 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1yl3 h ASP 4 N 0.00 0.33 0.91 4.38 5.19 -1.99 0.75 116.42 125.99 1yl3 h ASP 4 Ca 0.00 0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1yl3 h ASP 4 Cb 0.00 0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.72 1yl3 h ASP 4 CO 0.00 -0.31 -0.44 -0.33 -3.12 0.00 0.00 179.24 175.04 1yl3 h GLU 5 N 0.08 -1.19 -0.96 3.56 5.08 -1.75 0.34 114.58 119.74 1yl3 h GLU 5 Ca 0.83 0.08 0.30 0.00 -1.00 0.00 0.00 59.36 59.57 1yl3 h GLU 5 Cb 2.29 0.27 -0.15 0.00 0.50 0.00 0.00 28.75 31.65 1yl3 h GLU 5 CO -0.63 -0.79 0.39 0.82 -1.00 0.00 0.00 179.01 177.80 1yl3 h ILE 6 N -1.23 0.24 -0.10 3.13 2.04 0.23 1.02 117.51 122.84 1yl3 h ILE 6 Ca -0.13 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1yl3 h ILE 6 Cb 0.95 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1yl3 h ILE 6 CO 0.20 0.04 0.01 0.40 0.00 0.00 0.00 178.15 178.80 1yl3 h ILE 7 N 0.22 0.94 -0.48 -0.67 2.04 -0.63 -0.53 117.51 118.39 1yl3 h ILE 7 Ca 0.67 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.61 1yl3 h ILE 7 Cb 1.49 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 38.39 1yl3 h ILE 7 CO -0.67 0.01 0.02 -0.33 0.00 0.00 0.00 178.15 177.18 1yl3 h GLU 8 N 0.04 0.13 0.10 2.37 5.08 0.32 -0.21 114.58 122.41 1yl3 h GLU 8 Ca 0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1yl3 h GLU 8 Cb 0.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1yl3 h GLU 8 CO -0.07 0.09 -0.05 0.00 -1.00 0.00 0.00 179.01 177.98 1yl3 h ALA 9 N 1.42 -0.13 -0.53 3.43 0.00 -0.56 -0.25 119.26 122.63 1yl3 h ALA 9 Ca 0.24 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1yl3 h ALA 9 Cb 0.36 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1yl3 h ALA 9 CO -0.39 -0.52 0.27 0.82 0.00 0.00 0.00 179.25 179.43 1yl3 h ILE 10 N -0.23 0.95 0.13 0.00 2.04 -0.91 -0.04 117.51 119.45 1yl3 h ILE 10 Ca -0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1yl3 h ILE 10 Cb 0.19 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1yl3 h ILE 10 CO 0.02 0.09 -0.22 -0.33 0.00 0.00 0.00 178.15 177.72 1yl3 h GLU 11 N 0.52 -0.35 -0.78 2.37 5.08 -0.80 -3.11 114.58 117.51 1yl3 h GLU 11 Ca 0.24 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1yl3 h GLU 11 Cb 0.15 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1yl3 h GLU 11 CO -0.17 -0.24 0.46 0.87 -1.00 0.00 0.00 179.01 178.93 1yl3 h LYS 12 N -0.37 0.80 -5.51 2.33 1.57 -0.93 -3.42 116.57 111.04 1yl3 h LYS 12 Ca -0.01 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 58.08 1yl3 h LYS 12 Cb 0.34 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1yl3 h LYS 12 CO -0.07 0.53 1.54 1.28 -0.57 0.00 0.00 179.45 182.16 1yl3 n LEU 13 N -4.71 0.58 -4.23 2.94 4.77 -0.04 -4.78 117.00 111.54 1yl3 n LEU 13 Ca 0.11 0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 56.15 1yl3 n LEU 13 Cb 0.19 -0.93 0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1yl3 n LEU 13 CO 0.30 -0.75 -0.66 0.35 -1.33 0.00 0.00 177.39 175.29 1yl3 n THR 14 N 7.02 0.41 -0.47 -5.08 -2.24 -1.26 -3.84 114.28 108.82 1yl3 n THR 14 Ca 0.60 -0.43 0.39 0.00 -2.27 0.00 0.00 64.05 62.34 1yl3 n THR 14 Cb 0.01 -0.27 0.65 0.00 -2.10 0.00 0.00 70.33 68.62 1yl3 n THR 14 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1yl3 n VAL 15 N -2.43 -0.21 -0.02 2.28 0.31 -1.26 0.13 118.33 117.12 1yl3 n VAL 15 Ca 0.04 1.67 -0.13 0.00 -0.01 0.00 0.00 64.34 65.91 1yl3 n VAL 15 Cb 0.52 -2.74 -0.08 0.00 -0.91 0.00 0.00 33.84 30.63 1yl3 n VAL 15 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1yl3 h SER 16 N 0.00 0.10 -0.98 4.52 4.64 -1.94 0.03 113.55 119.92 1yl3 h SER 16 Ca 0.83 -0.40 0.06 0.00 -0.47 0.00 0.00 61.79 61.81 1yl3 h SER 16 Cb 2.76 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 64.76 1yl3 h SER 16 CO -0.40 0.48 0.63 -0.33 -0.87 0.00 0.00 176.83 176.35 1yl3 h GLU 17 N -0.28 1.13 0.85 4.77 5.08 0.90 -0.13 114.58 126.90 1yl3 h GLU 17 Ca 0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1yl3 h GLU 17 Cb 0.44 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1yl3 h GLU 17 CO 0.01 0.75 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.29 1yl3 h LEU 18 N 1.16 -0.97 -0.08 1.33 3.38 -0.90 0.12 115.31 119.36 1yl3 h LEU 18 Ca 0.41 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.45 1yl3 h LEU 18 Cb 0.12 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1yl3 h LEU 18 CO -0.16 -0.62 -0.38 0.00 0.09 0.00 0.00 178.44 177.37 1yl3 h ALA 19 N -1.27 -0.54 -0.39 1.53 0.00 -0.76 0.05 119.26 117.87 1yl3 h ALA 19 Ca -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1yl3 h ALA 19 Cb 0.88 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1yl3 h ALA 19 CO 0.19 -0.89 0.12 0.93 0.00 0.00 0.00 179.25 179.61 1yl3 h GLU 20 N -0.49 0.61 -0.29 0.00 5.08 -1.10 -0.49 114.58 117.91 1yl3 h GLU 20 Ca 0.07 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1yl3 h GLU 20 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yl3 h GLU 20 CO -0.35 0.61 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.15 1yl3 h LEU 21 N 0.49 0.44 0.52 1.33 3.38 -0.85 0.24 115.31 120.86 1yl3 h LEU 21 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1yl3 h LEU 21 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1yl3 h LEU 21 CO -0.00 0.55 -0.31 0.58 0.09 0.00 0.00 178.44 179.34 1yl3 h VAL 22 N 0.44 0.35 -0.26 1.22 2.07 -0.51 0.35 116.25 119.91 1yl3 h VAL 22 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1yl3 h VAL 22 Cb 0.38 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1yl3 h VAL 22 CO 0.02 0.00 -0.45 0.11 0.02 0.00 0.00 177.57 177.27 1yl3 h LYS 23 N -0.79 -0.35 0.00 1.57 1.57 -0.55 -0.60 116.57 117.42 1yl3 h LYS 23 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yl3 h LYS 23 Cb 0.64 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1yl3 h LYS 23 CO 0.06 -0.24 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 1yl3 n LYS 24 N -4.87 0.00 -0.33 3.15 5.02 0.02 -0.77 118.16 120.39 1yl3 n LYS 24 Ca -0.03 0.58 0.18 0.00 -2.02 0.00 0.00 58.31 57.01 1yl3 n LYS 24 Cb 0.28 -1.34 0.42 0.00 -0.02 0.00 0.00 35.03 34.37 1yl3 n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yl3 h LEU 25 N 0.00 0.61 0.01 -0.35 3.38 -0.96 1.84 115.31 119.84 1yl3 h LEU 25 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1yl3 h LEU 25 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1yl3 h LEU 25 CO 0.00 0.17 -0.12 -0.33 0.09 0.00 0.00 178.44 178.26 1yl3 h GLU 26 N 0.57 -0.20 0.00 1.13 5.08 -0.88 0.86 114.58 121.14 1yl3 h GLU 26 Ca 0.58 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1yl3 h GLU 26 Cb 1.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1yl3 h GLU 26 CO -0.34 -0.13 0.52 -0.44 -1.00 0.00 0.00 179.01 177.61 1yl3 h ASP 27 N -0.20 0.00 0.41 1.42 5.19 0.49 3.74 116.42 127.47 1yl3 h ASP 27 Ca 0.04 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.14 1yl3 h ASP 27 Cb 0.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1yl3 h ASP 27 CO -0.11 0.00 -1.71 0.11 -3.12 0.00 0.00 179.24 174.41 1yl3 h LYS 28 N 0.00 0.12 0.00 3.56 1.57 0.26 -3.41 116.57 118.67 1yl3 h LYS 28 Ca 0.00 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1yl3 h LYS 28 Cb 1.03 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1yl3 h LYS 28 CO 0.00 0.84 -0.34 1.19 -0.57 0.00 0.00 179.45 180.57 1yl3 n PHE 29 N -3.26 0.00 -1.18 -1.35 3.01 0.64 -5.05 117.46 110.26 1yl3 n PHE 29 Ca -0.20 -0.78 0.04 0.00 1.01 0.00 0.00 57.45 57.52 1yl3 n PHE 29 Cb 1.04 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 40.35 1yl3 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yl3 n GLY 30 N -0.79 -1.92 1.21 1.37 0.00 1.09 0.20 105.19 106.36 1yl3 n GLY 30 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1yl3 n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yl3 n VAL 31 N -2.90 0.47 0.05 1.61 0.31 -1.26 -1.00 118.33 115.60 1yl3 n VAL 31 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1yl3 n VAL 31 Cb 0.29 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1yl3 n VAL 31 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1yl3 n THR 32 N 1.07 0.00 0.18 2.52 -2.24 -1.26 -4.88 114.28 109.67 1yl3 n THR 32 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1yl3 n THR 32 Cb 0.19 -0.06 0.69 0.00 -2.10 0.00 0.00 70.33 69.05 1yl3 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yl3 h ALA 33 N 0.00 2.11 -1.59 6.98 0.00 -1.45 -3.42 119.26 121.89 1yl3 h ALA 33 Ca 0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1yl3 h ALA 33 Cb 0.00 0.01 0.14 0.00 0.00 0.00 0.00 17.79 17.94 1yl3 h ALA 33 CO 0.00 -0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.31 1yl3 s ALA 34 N -4.99 2.85 0.00 0.00 0.00 0.54 -4.95 121.76 115.22 1yl3 s ALA 34 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1yl3 s ALA 34 Cb 0.18 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1yl3 s ALA 34 CO 0.67 -2.14 0.00 0.00 0.00 0.00 0.00 175.76 174.29 1yl3 n ALA 35 N -3.43 0.00 -0.58 0.00 0.00 -1.26 -4.90 120.51 110.33 1yl3 n ALA 35 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1yl3 n ALA 35 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1yl3 n ALA 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yl3 n PRO 36 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -1.34 135.00 132.38 1yl3 n PRO 36 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1yl3 n PRO 36 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1yl3 n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1yl3 n VAL 37 N -0.55 0.00 0.08 -1.45 0.31 -1.26 -1.62 118.33 113.85 1yl3 n VAL 37 Ca 0.00 1.49 -0.04 0.00 -0.01 0.00 0.00 64.34 65.78 1yl3 n VAL 37 Cb 0.00 -2.28 0.17 0.00 -0.91 0.00 0.00 33.84 30.82 1yl3 n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yl3 h ALA 38 N -1.58 0.97 0.22 3.52 0.00 -1.91 -0.67 119.26 119.80 1yl3 h ALA 38 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1yl3 h ALA 38 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1yl3 h ALA 38 CO 0.00 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.05 1yl3 h VAL 39 N 0.21 0.71 -0.23 0.00 2.07 -1.25 -0.19 116.25 117.57 1yl3 h VAL 39 Ca 0.01 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1yl3 h VAL 39 Cb 0.96 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1yl3 h VAL 39 CO 0.08 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.47 1yl3 h ALA 40 N 0.42 1.23 -1.00 1.67 0.00 -1.29 -2.07 119.26 118.22 1yl3 h ALA 40 Ca -0.02 -0.30 0.30 0.00 0.00 0.00 0.00 54.91 54.89 1yl3 h ALA 40 Cb 0.29 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 17.78 1yl3 h ALA 40 CO 0.02 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.90 1yl3 h ALA 41 N 1.42 1.37 -0.04 0.00 0.00 0.35 0.11 119.26 122.47 1yl3 h ALA 41 Ca 0.06 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1yl3 h ALA 41 Cb 0.57 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1yl3 h ALA 41 CO 0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 179.25 178.55 1yl3 h ALA 42 N 2.00 -0.45 -0.98 0.00 0.00 -0.34 0.52 119.26 120.01 1yl3 h ALA 42 Ca 0.65 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.89 1yl3 h ALA 42 Cb 1.44 0.70 -0.17 0.00 0.00 0.00 0.00 17.79 19.76 1yl3 h ALA 42 CO -0.90 -0.48 0.41 -1.35 0.00 0.00 0.00 179.25 176.92 1yl3 h PRO 43 N -0.08 0.12 0.05 0.00 0.11 -0.94 0.86 132.00 132.13 1yl3 h PRO 43 Ca 0.01 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1yl3 h PRO 43 Cb 0.10 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.13 1yl3 h PRO 43 CO -0.08 0.08 -0.50 0.28 -0.21 0.00 0.00 178.00 177.57 1yl3 h VAL 44 N 0.12 0.05 -0.97 3.15 2.07 0.12 0.19 116.25 120.98 1yl3 h VAL 44 Ca 0.73 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.53 1yl3 h VAL 44 Cb 1.73 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 1yl3 h VAL 44 CO -0.74 0.00 0.50 0.00 0.02 0.00 0.00 177.57 177.35 1yl3 h ALA 45 N -0.35 1.74 0.07 1.67 0.00 0.26 0.70 119.26 123.35 1yl3 h ALA 45 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1yl3 h ALA 45 Cb 0.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1yl3 h ALA 45 CO -0.32 -0.46 -0.24 0.78 0.00 0.00 0.00 179.25 179.01 1yl3 h GLY 46 N 0.37 -0.40 0.39 0.00 0.00 0.96 0.58 103.07 104.97 1yl3 h GLY 46 Ca 0.66 0.28 0.06 0.00 0.00 0.00 0.00 47.33 48.33 1yl3 h GLY 46 CO -0.58 -0.21 -0.11 0.00 0.00 0.00 0.00 176.54 175.65 1yl3 h ALA 47 N 0.39 0.11 -0.16 3.60 0.00 0.19 -0.64 119.26 122.76 1yl3 h ALA 47 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1yl3 h ALA 47 Cb 0.46 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1yl3 h ALA 47 CO -0.17 -0.51 0.05 0.00 0.00 0.00 0.00 179.25 178.62 1yl3 h ALA 48 N 1.16 0.17 -0.20 0.00 0.00 -0.68 -0.09 119.26 119.62 1yl3 h ALA 48 Ca 0.13 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1yl3 h ALA 48 Cb 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1yl3 h ALA 48 CO -0.30 -0.39 -0.27 0.00 0.00 0.00 0.00 179.25 178.29 1yl3 h ALA 49 N 1.10 -0.22 -0.39 0.00 0.00 -0.52 0.18 119.26 119.41 1yl3 h ALA 49 Ca 0.07 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1yl3 h ALA 49 Cb 0.05 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1yl3 h ALA 49 CO -0.08 -0.72 -0.37 0.78 0.00 0.00 0.00 179.25 178.86 1yl3 h GLY 50 N -0.30 -0.40 -0.99 0.00 0.00 -0.65 0.16 103.07 100.89 1yl3 h GLY 50 Ca 0.12 0.48 0.17 0.00 0.00 0.00 0.00 47.33 48.09 1yl3 h GLY 50 CO -0.37 -0.20 -0.35 0.00 0.00 0.00 0.00 176.54 175.62 1yl3 n ALA 51 N -3.03 -0.02 -0.18 3.60 0.00 0.45 0.18 120.51 121.51 1yl3 n ALA 51 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 53.44 54.45 1yl3 n ALA 51 Cb 0.35 -0.50 0.08 0.00 0.00 0.00 0.00 19.45 19.38 1yl3 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl3 h ALA 52 N 1.53 0.56 0.19 0.00 0.00 0.12 -0.39 119.26 121.27 1yl3 h ALA 52 Ca 0.38 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1yl3 h ALA 52 Cb 0.63 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1yl3 h ALA 52 CO -0.99 -0.37 -0.26 1.96 0.00 0.00 0.00 179.25 179.58 1yl3 h GLN 53 N 0.15 -0.46 -0.77 0.00 4.20 0.34 -0.42 115.11 118.15 1yl3 h GLN 53 Ca 0.28 0.03 0.16 0.00 0.06 0.00 0.00 58.65 59.18 1yl3 h GLN 53 Cb 0.44 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.22 1yl3 h GLN 53 CO -0.44 -0.30 0.27 0.93 -0.67 0.00 0.00 178.83 178.62 1yl3 h GLU 54 N -0.47 0.37 0.05 1.46 5.08 -0.74 -3.19 114.58 117.15 1yl3 h GLU 54 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yl3 h GLU 54 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yl3 h GLU 54 CO -0.07 0.25 -0.02 0.93 -1.00 0.00 0.00 179.01 179.09 1yl3 h GLU 55 N 0.38 -0.07 0.00 2.33 5.08 -0.91 -3.49 114.58 117.90 1yl3 h GLU 55 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1yl3 h GLU 55 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1yl3 h GLU 55 CO -0.45 -0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.14 1yl3 n LYS 56 N -2.23 0.00 -1.61 2.33 5.02 -0.18 -5.03 118.16 116.46 1yl3 n LYS 56 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1yl3 n LYS 56 Cb 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.99 1yl3 n LYS 56 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yl3 n THR 57 N 0.00 4.18 0.00 -0.18 -2.24 -1.16 -4.60 114.28 110.29 1yl3 n THR 57 Ca 0.00 -3.29 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 1yl3 n THR 57 Cb 0.00 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 1yl3 n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yl3 n GLU 58 N 1.74 0.00 -4.44 -0.78 1.02 -1.26 -4.81 120.64 112.11 1yl3 n GLU 58 Ca 0.57 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.44 1yl3 n GLU 58 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.76 1yl3 n GLU 58 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1yl3 s PHE 59 N -0.56 2.47 -0.18 -0.32 0.40 -0.27 -4.37 117.98 115.14 1yl3 s PHE 59 Ca 0.00 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1yl3 s PHE 59 Cb 0.00 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1yl3 s PHE 59 CO 0.00 0.31 -0.04 -0.51 0.70 0.00 0.00 175.22 175.69 1yl3 s ASP 60 N -3.81 2.98 -0.44 1.36 1.11 -1.26 -1.07 116.67 115.55 1yl3 s ASP 60 Ca 0.34 -0.76 -0.23 0.00 0.18 0.00 0.00 52.55 52.08 1yl3 s ASP 60 Cb 0.07 -0.89 0.02 0.00 1.07 0.00 0.00 42.92 43.19 1yl3 s ASP 60 CO 0.18 -0.22 0.76 -0.69 1.18 0.00 0.00 175.17 176.39 1yl3 s VAL 61 N 1.64 4.68 -0.05 -1.27 1.01 -0.03 -0.82 120.40 125.57 1yl3 s VAL 61 Ca -0.01 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1yl3 s VAL 61 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1yl3 s VAL 61 CO -0.07 -0.67 0.01 -0.69 0.00 0.00 0.00 175.10 173.67 1yl3 s VAL 62 N 3.20 4.31 -0.20 2.92 1.01 -0.16 0.25 120.40 131.73 1yl3 s VAL 62 Ca 0.29 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1yl3 s VAL 62 Cb -0.12 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1yl3 s VAL 62 CO 0.22 0.51 0.54 -0.76 0.00 0.00 0.00 175.10 175.60 1yl3 s LEU 63 N -1.18 4.14 0.19 3.92 1.43 0.51 -0.95 118.68 126.73 1yl3 s LEU 63 Ca 0.16 0.69 0.23 0.00 -1.03 0.00 0.00 54.13 54.18 1yl3 s LEU 63 Cb -0.11 -2.74 0.08 0.00 0.03 0.00 0.00 46.19 43.44 1yl3 s LEU 63 CO 0.06 -0.21 1.12 0.11 0.23 0.00 0.00 176.35 177.66 1yl3 h LYS 64 N 7.51 0.00 0.00 1.70 1.57 -1.24 -1.62 116.57 124.48 1yl3 h LYS 64 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1yl3 h LYS 64 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1yl3 h LYS 64 CO 0.74 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.49 1yl3 n SER 65 N -2.55 0.00 -4.44 0.86 3.41 -1.20 -4.06 113.62 105.63 1yl3 n SER 65 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.31 1yl3 n SER 65 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 1yl3 n SER 65 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1yl3 s PHE 66 N -2.00 2.53 -0.11 7.33 0.40 -1.26 -1.04 117.98 123.83 1yl3 s PHE 66 Ca 0.00 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1yl3 s PHE 66 Cb 0.00 -1.46 0.06 0.00 0.51 0.00 0.00 43.02 42.13 1yl3 s PHE 66 CO 0.00 0.23 0.20 0.20 0.70 0.00 0.00 175.22 176.55 1yl3 s GLY 67 N -1.39 -0.00 -1.64 4.36 0.00 -0.10 -4.89 107.32 103.66 1yl3 s GLY 67 Ca 0.14 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1yl3 s GLY 67 CO 0.05 1.81 0.00 -1.06 0.00 0.00 0.00 173.10 173.90 1yl3 n GLN 68 N 5.33 -1.46 -2.52 2.90 6.02 -1.26 -4.69 117.38 121.70 1yl3 n GLN 68 Ca -0.05 0.96 -0.02 0.00 -0.01 0.00 0.00 57.00 57.88 1yl3 n GLN 68 Cb 0.50 -5.27 0.11 0.00 1.02 0.00 0.00 30.24 26.60 1yl3 n GLN 68 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1yl3 n ASN 69 N -0.92 -1.30 -0.32 1.08 3.02 -1.26 -4.99 115.26 110.58 1yl3 n ASN 69 Ca -0.15 -2.07 0.02 0.00 -0.03 0.00 0.00 54.58 52.34 1yl3 n ASN 69 Cb 0.56 0.61 0.20 0.00 -0.61 0.00 0.00 39.78 40.54 1yl3 n ASN 69 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1yl3 h LYS 70 N 0.90 1.10 0.00 3.52 1.57 -1.85 -0.55 116.57 121.27 1yl3 h LYS 70 Ca -0.39 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1yl3 h LYS 70 Cb 1.26 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1yl3 h LYS 70 CO -0.16 0.73 0.00 -0.89 -0.57 0.00 0.00 179.45 178.56 1yl3 n ILE 71 N -4.45 0.00 -0.20 1.86 5.41 -1.26 -0.88 119.36 119.84 1yl3 n ILE 71 Ca 0.12 1.42 0.00 0.00 1.00 0.00 0.00 62.75 65.30 1yl3 n ILE 71 Cb 0.12 -2.32 0.09 0.00 -0.71 0.00 0.00 39.64 36.82 1yl3 n ILE 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1yl3 h GLN 72 N 0.00 0.12 -0.52 0.38 3.07 -1.81 -0.53 115.11 115.83 1yl3 h GLN 72 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.74 1yl3 h GLN 72 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.51 1yl3 h GLN 72 CO 0.00 0.08 0.33 0.28 0.09 0.00 0.00 178.83 179.61 1yl3 h VAL 73 N 0.12 1.11 -0.95 1.86 2.07 -1.07 -0.19 116.25 119.21 1yl3 h VAL 73 Ca 0.31 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1yl3 h VAL 73 Cb 0.50 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1yl3 h VAL 73 CO -0.50 0.12 0.62 0.40 0.02 0.00 0.00 177.57 178.23 1yl3 h ILE 74 N 0.68 1.16 -0.24 4.57 2.04 -0.25 0.58 117.51 126.06 1yl3 h ILE 74 Ca 0.19 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1yl3 h ILE 74 Cb -0.06 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 35.83 1yl3 h ILE 74 CO -0.05 0.22 -0.15 0.11 0.00 0.00 0.00 178.15 178.27 1yl3 h LYS 75 N 1.19 -0.13 -0.06 2.37 1.57 0.48 0.09 116.57 122.08 1yl3 h LYS 75 Ca 0.38 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1yl3 h LYS 75 Cb 0.01 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1yl3 h LYS 75 CO -0.11 -0.09 -0.15 0.28 -0.57 0.00 0.00 179.45 178.81 1yl3 h VAL 76 N -0.14 0.62 -0.36 0.50 2.07 0.53 -0.70 116.25 118.77 1yl3 h VAL 76 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1yl3 h VAL 76 Cb 0.34 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1yl3 h VAL 76 CO -0.33 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.02 1yl3 h VAL 77 N -0.22 0.98 0.55 2.57 2.07 -0.65 -0.04 116.25 121.51 1yl3 h VAL 77 Ca 0.07 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1yl3 h VAL 77 Cb 0.32 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1yl3 h VAL 77 CO -0.19 0.07 -0.46 0.03 0.02 0.00 0.00 177.57 177.04 1yl3 h ARG 78 N 0.36 -0.96 -0.52 1.57 3.08 -0.80 -0.79 114.38 116.31 1yl3 h ARG 78 Ca 0.15 0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1yl3 h ARG 78 Cb 0.06 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1yl3 h ARG 78 CO -0.11 -0.64 0.28 0.93 -1.07 0.00 0.00 179.97 179.37 1yl3 h GLU 79 N -0.99 0.54 0.04 0.04 5.08 -1.06 -0.18 114.58 118.05 1yl3 h GLU 79 Ca -0.07 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1yl3 h GLU 79 Cb 0.84 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1yl3 h GLU 79 CO -0.01 0.35 -0.28 0.82 -1.00 0.00 0.00 179.01 178.89 1yl3 h ILE 80 N 0.55 0.38 0.00 3.13 2.04 -0.76 -3.31 117.51 119.54 1yl3 h ILE 80 Ca 0.22 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.00 1yl3 h ILE 80 Cb 0.10 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1yl3 h ILE 80 CO -0.14 0.00 -1.73 0.35 0.00 0.00 0.00 178.15 176.63 1yl3 n THR 81 N -5.39 0.56 -1.33 -0.27 -2.24 -0.32 -5.00 114.28 100.28 1yl3 n THR 81 Ca -0.05 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1yl3 n THR 81 Cb 0.30 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1yl3 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yl3 n GLY 82 N 1.34 0.47 3.43 3.38 0.00 -0.09 -5.07 105.19 108.66 1yl3 n GLY 82 Ca -0.09 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1yl3 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yl3 s LEU 83 N -1.31 3.05 1.02 0.99 1.43 -1.18 -5.08 118.68 117.60 1yl3 s LEU 83 Ca 0.00 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 1yl3 s LEU 83 Cb 0.00 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1yl3 s LEU 83 CO 0.00 0.14 -0.66 0.61 0.23 0.00 0.00 176.35 176.67 1yl3 n GLY 84 N 3.74 -3.15 0.25 -3.19 0.00 -1.26 -4.30 105.19 97.27 1yl3 n GLY 84 Ca -0.18 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 1yl3 n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yl3 h LEU 85 N -1.35 -0.81 0.00 0.99 3.38 -1.98 0.01 115.31 115.55 1yl3 h LEU 85 Ca -0.45 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1yl3 h LEU 85 Cb 1.34 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 1yl3 h LEU 85 CO 0.28 -0.29 -0.47 0.11 0.09 0.00 0.00 178.44 178.16 1yl3 h LYS 86 N -0.39 -0.60 -0.45 1.13 1.57 -2.00 -0.90 116.57 114.93 1yl3 h LYS 86 Ca -0.00 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1yl3 h LYS 86 Cb 0.39 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 1yl3 h LYS 86 CO -0.14 -0.40 -0.17 0.93 -0.57 0.00 0.00 179.45 179.10 1yl3 h GLU 87 N -0.62 -0.07 -0.20 3.15 5.08 -1.88 -0.41 114.58 119.63 1yl3 h GLU 87 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1yl3 h GLU 87 Cb 0.69 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1yl3 h GLU 87 CO -0.34 -0.05 -0.14 0.00 -1.00 0.00 0.00 179.01 177.49 1yl3 h ALA 88 N 1.29 0.01 -0.29 3.43 0.00 -0.59 -0.58 119.26 122.53 1yl3 h ALA 88 Ca 0.22 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1yl3 h ALA 88 Cb 0.41 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1yl3 h ALA 88 CO -0.51 -0.56 0.15 0.87 0.00 0.00 0.00 179.25 179.20 1yl3 h LYS 89 N -0.13 0.31 -0.02 0.00 1.57 -0.26 0.03 116.57 118.05 1yl3 h LYS 89 Ca 0.12 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1yl3 h LYS 89 Cb 0.31 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1yl3 h LYS 89 CO -0.28 0.20 -0.39 -0.44 -0.57 0.00 0.00 179.45 177.98 1yl3 h ASP 90 N 0.32 -1.17 0.31 0.86 5.19 -0.59 -0.48 116.42 120.85 1yl3 h ASP 90 Ca 0.12 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1yl3 h ASP 90 Cb 0.03 0.47 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1yl3 h ASP 90 CO -0.07 -0.43 -0.40 -0.07 -3.12 0.00 0.00 179.24 175.15 1yl3 h LEU 91 N -0.53 -1.12 -0.91 1.55 3.38 -0.96 -0.72 115.31 116.01 1yl3 h LEU 91 Ca 0.06 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.30 1yl3 h LEU 91 Cb 0.62 0.39 -0.16 0.00 0.09 0.00 0.00 40.66 41.60 1yl3 h LEU 91 CO -0.32 -0.53 -0.27 0.52 0.09 0.00 0.00 178.44 177.94 1yl3 n VAL 92 N -5.48 -0.42 0.04 1.22 0.31 -0.02 0.21 118.33 114.20 1yl3 n VAL 92 Ca -0.09 2.09 -0.11 0.00 -0.01 0.00 0.00 64.34 66.22 1yl3 n VAL 92 Cb 0.39 -2.85 -0.05 0.00 -0.91 0.00 0.00 33.84 30.42 1yl3 n VAL 92 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yl3 h GLU 93 N 0.00 -0.17 -1.17 5.55 5.08 -0.28 -1.00 114.58 122.59 1yl3 h GLU 93 Ca 0.39 0.01 0.33 0.00 -1.00 0.00 0.00 59.36 59.10 1yl3 h GLU 93 Cb 0.62 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1yl3 h GLU 93 CO -0.92 -0.12 0.78 0.87 -1.00 0.00 0.00 179.01 178.63 1yl3 h LYS 94 N -0.18 0.20 -3.91 2.33 1.57 0.39 -3.41 116.57 113.56 1yl3 h LYS 94 Ca 0.05 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.42 1yl3 h LYS 94 Cb 0.24 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1yl3 h LYS 94 CO -0.13 0.13 1.37 0.00 -0.57 0.00 0.00 179.45 180.25 1yl3 n ALA 95 N -2.59 0.23 0.00 3.86 0.00 -0.15 -1.04 120.51 120.82 1yl3 n ALA 95 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1yl3 n ALA 95 Cb 1.13 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1yl3 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl3 n GLY 96 N 5.08 1.23 3.76 0.00 0.00 -0.61 -3.57 105.19 111.09 1yl3 n GLY 96 Ca 0.51 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1yl3 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yl3 s SER 97 N 0.00 4.25 0.27 1.61 1.04 -0.21 -4.93 113.70 115.73 1yl3 s SER 97 Ca 0.00 1.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.98 1yl3 s SER 97 Cb 0.00 -2.31 0.35 0.00 0.10 0.00 0.00 66.02 64.16 1yl3 s SER 97 CO 0.00 -2.16 1.88 1.55 0.98 0.00 0.00 173.24 175.50 1yl3 h PRO 98 N -1.22 1.08 0.00 4.02 0.13 -1.96 -1.23 132.00 132.82 1yl3 h PRO 98 Ca -0.46 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1yl3 h PRO 98 Cb 1.25 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1yl3 h PRO 98 CO 0.55 0.80 0.00 -0.25 -0.23 0.00 0.00 178.00 178.87 1yl3 n ASP 99 N -4.34 0.00 -1.38 1.44 9.92 -1.26 -4.34 116.55 116.58 1yl3 n ASP 99 Ca 0.08 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1yl3 n ASP 99 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1yl3 n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yl3 n ALA 100 N -0.86 1.57 -2.33 2.24 0.00 -0.47 -4.70 120.51 115.97 1yl3 n ALA 100 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1yl3 n ALA 100 Cb 0.07 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1yl3 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yl3 s VAL 101 N 1.33 3.70 0.54 0.00 1.01 -1.26 0.19 120.40 125.91 1yl3 s VAL 101 Ca 0.00 -0.54 0.34 0.00 0.00 0.00 0.00 61.98 61.77 1yl3 s VAL 101 Cb 0.00 -4.59 0.51 0.00 0.00 0.00 0.00 36.38 32.31 1yl3 s VAL 101 CO 0.00 -1.49 1.85 -0.29 0.00 0.00 0.00 175.10 175.16 1yl3 h ILE 102 N 6.98 0.48 -1.97 2.22 2.10 0.30 -3.35 117.51 124.26 1yl3 h ILE 102 Ca 0.13 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.94 1yl3 h ILE 102 Cb 1.01 0.48 -0.29 0.00 -1.09 0.00 0.00 36.82 36.94 1yl3 h ILE 102 CO 1.33 0.00 -0.45 -0.54 -1.08 0.00 0.00 178.15 177.41 1yl3 s LYS 103 N -4.95 0.35 -0.13 2.19 1.02 -0.30 -4.76 119.74 113.16 1yl3 s LYS 103 Ca -0.05 0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.55 1yl3 s LYS 103 Cb 0.22 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.21 1yl3 s LYS 103 CO 0.78 -0.57 -0.01 -1.54 -0.92 0.00 0.00 175.35 173.09 1yl3 s SER 104 N 2.57 5.10 0.00 2.83 1.04 -1.26 -0.85 113.70 123.13 1yl3 s SER 104 Ca 0.10 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1yl3 s SER 104 Cb -0.15 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1yl3 s SER 104 CO -0.15 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1yl3 n GLY 105 N 3.01 0.65 2.92 7.32 0.00 -0.23 -5.01 105.19 113.84 1yl3 n GLY 105 Ca -0.18 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1yl3 n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yl3 s VAL 106 N -2.39 -0.01 1.21 1.61 1.01 -1.08 -4.95 120.40 115.80 1yl3 s VAL 106 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1yl3 s VAL 106 Cb 0.00 -0.09 0.29 0.00 0.00 0.00 0.00 36.38 36.58 1yl3 s VAL 106 CO 0.00 0.01 1.04 -0.94 0.00 0.00 0.00 175.10 175.21 1yl3 s SER 107 N 0.16 0.74 0.11 3.32 1.04 -1.26 -1.11 113.70 116.70 1yl3 s SER 107 Ca -0.01 0.97 -0.27 0.00 0.48 0.00 0.00 55.95 57.12 1yl3 s SER 107 Cb -0.02 -1.44 -0.08 0.00 0.10 0.00 0.00 66.02 64.58 1yl3 s SER 107 CO -0.00 -4.27 1.64 0.11 0.98 0.00 0.00 173.24 171.69 1yl3 h LYS 108 N -2.68 -0.44 0.73 4.02 1.57 -1.97 0.04 116.57 117.85 1yl3 h LYS 108 Ca -0.50 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1yl3 h LYS 108 Cb 1.32 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1yl3 h LYS 108 CO 0.41 -0.29 -0.49 0.93 -0.57 0.00 0.00 179.45 179.44 1yl3 h GLU 109 N -0.46 -1.11 -0.79 3.15 5.08 -1.99 -0.71 114.58 117.75 1yl3 h GLU 109 Ca 0.03 0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1yl3 h GLU 109 Cb 0.49 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 1yl3 h GLU 109 CO -0.16 -0.74 0.43 0.93 -1.00 0.00 0.00 179.01 178.48 1yl3 h GLU 110 N -1.15 0.69 -0.14 2.33 5.08 -1.91 -0.43 114.58 119.06 1yl3 h GLU 110 Ca -0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1yl3 h GLU 110 Cb 0.94 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1yl3 h GLU 110 CO 0.07 0.46 0.07 0.00 -1.00 0.00 0.00 179.01 178.61 1yl3 h ALA 111 N 1.46 0.18 -0.62 3.43 0.00 -0.88 -0.00 119.26 122.83 1yl3 h ALA 111 Ca 0.39 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1yl3 h ALA 111 Cb 0.40 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1yl3 h ALA 111 CO -0.27 -0.27 0.18 0.93 0.00 0.00 0.00 179.25 179.83 1yl3 h GLU 112 N 0.10 0.32 -0.03 0.00 5.08 -0.62 -0.41 114.58 119.03 1yl3 h GLU 112 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1yl3 h GLU 112 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1yl3 h GLU 112 CO -0.01 0.21 -0.20 0.93 -1.00 0.00 0.00 179.01 178.95 1yl3 h GLU 113 N 0.33 -0.22 -0.74 2.33 5.08 -0.20 -0.23 114.58 120.95 1yl3 h GLU 113 Ca 0.32 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.83 1yl3 h GLU 113 Cb 0.45 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1yl3 h GLU 113 CO -0.37 -0.14 -0.32 0.82 -1.00 0.00 0.00 179.01 178.00 1yl3 h ILE 114 N -0.22 0.14 -0.46 3.13 2.04 -0.32 0.17 117.51 121.98 1yl3 h ILE 114 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1yl3 h ILE 114 Cb 0.25 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 1yl3 h ILE 114 CO -0.15 0.00 0.01 0.11 0.00 0.00 0.00 178.15 178.12 1yl3 h LYS 115 N -0.09 0.12 -0.44 2.37 1.57 -0.89 -0.79 116.57 118.42 1yl3 h LYS 115 Ca 0.29 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1yl3 h LYS 115 Cb 0.57 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1yl3 h LYS 115 CO -0.79 0.08 0.23 0.87 -0.57 0.00 0.00 179.45 179.28 1yl3 h LYS 116 N 0.12 0.46 0.04 3.15 1.57 0.11 -0.28 116.57 121.74 1yl3 h LYS 116 Ca 0.23 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1yl3 h LYS 116 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1yl3 h LYS 116 CO -0.38 0.30 -0.15 0.87 -0.57 0.00 0.00 179.45 179.53 1yl3 h LYS 117 N 0.47 -0.26 0.29 3.15 1.57 0.21 0.07 116.57 122.06 1yl3 h LYS 117 Ca 0.19 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1yl3 h LYS 117 Cb 0.07 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yl3 h LYS 117 CO -0.12 -0.17 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.38 1yl3 h LEU 118 N -0.27 -0.33 -0.12 2.94 3.38 -1.09 -0.54 115.31 119.29 1yl3 h LEU 118 Ca 0.04 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1yl3 h LEU 118 Cb 0.31 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1yl3 h LEU 118 CO -0.12 -0.15 -0.14 -0.33 0.09 0.00 0.00 178.44 177.80 1yl3 h GLU 119 N -0.48 -0.08 -0.58 1.13 5.08 -0.92 -0.95 114.58 117.77 1yl3 h GLU 119 Ca -0.04 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1yl3 h GLU 119 Cb 0.36 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 1yl3 h GLU 119 CO 0.06 -0.06 -0.38 0.93 -1.00 0.00 0.00 179.01 178.57 1yl3 h GLU 120 N -0.09 -0.19 -1.18 2.33 5.08 -0.95 0.11 114.58 119.70 1yl3 h GLU 120 Ca 0.02 0.01 0.40 0.00 -1.00 0.00 0.00 59.36 58.79 1yl3 h GLU 120 Cb 0.14 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.29 1yl3 h GLU 120 CO -0.15 -0.12 0.73 0.00 -1.00 0.00 0.00 179.01 178.46 1yl3 h ALA 121 N 0.82 2.44 0.00 3.43 0.00 0.04 -3.43 119.26 122.57 1yl3 h ALA 121 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1yl3 h ALA 121 Cb 0.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1yl3 h ALA 121 CO -0.68 -1.08 0.00 0.41 0.00 0.00 0.00 179.25 177.90 1yl3 n GLY 122 N -1.42 0.33 3.16 0.00 0.00 0.33 -3.45 105.19 104.14 1yl3 n GLY 122 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 1yl3 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yl3 s ALA 123 N -0.38 0.91 -0.18 4.61 0.00 -0.64 -0.92 121.76 125.15 1yl3 s ALA 123 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.51 1yl3 s ALA 123 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1yl3 s ALA 123 CO 0.00 -0.32 0.06 -1.21 0.00 0.00 0.00 175.76 174.29 1yl3 s GLU 124 N -3.90 3.94 0.35 0.00 2.02 -0.20 -2.93 118.70 117.98 1yl3 s GLU 124 Ca 0.14 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 54.85 1yl3 s GLU 124 Cb 0.06 -3.20 -0.07 0.00 0.10 0.00 0.00 34.13 31.03 1yl3 s GLU 124 CO -0.04 0.25 -0.04 0.08 0.02 0.00 0.00 175.26 175.54 1yl3 s VAL 125 N 0.42 1.93 -0.14 2.63 1.01 -1.26 -0.82 120.40 124.17 1yl3 s VAL 125 Ca 0.03 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 59.78 1yl3 s VAL 125 Cb -0.13 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.55 1yl3 s VAL 125 CO 0.01 -0.13 0.36 -1.83 0.00 0.00 0.00 175.10 173.51 1yl3 s GLU 126 N -3.70 0.42 -0.40 2.72 -1.05 -0.12 -4.84 118.70 111.73 1yl3 s GLU 126 Ca 0.33 0.52 -0.16 0.00 -0.15 0.00 0.00 54.97 55.51 1yl3 s GLU 126 Cb 0.06 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1yl3 s GLU 126 CO 0.16 -0.06 0.37 -0.48 0.95 0.00 0.00 175.26 176.20 1yl3 s LEU 127 N 0.28 4.86 0.00 1.83 2.34 -1.26 -0.98 118.68 125.74 1yl3 s LEU 127 Ca -0.01 -0.67 0.00 0.00 0.06 0.00 0.00 54.13 53.51 1yl3 s LEU 127 Cb -0.03 -2.29 0.00 0.00 -0.56 0.00 0.00 46.19 43.31 1yl3 s LEU 127 CO -0.00 -0.48 0.00 0.29 -1.06 0.00 0.00 176.35 175.09