#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl3 n LYS 2 N 0.00 0.00 -3.60 4.33 0.00 -1.26 -5.10 118.16 112.53 1yl3 n LYS 2 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 58.31 58.01 1yl3 n LYS 2 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 35.03 34.87 1yl3 n LYS 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1yl3 s GLN 3 N 0.00 1.04 -0.99 1.64 -0.21 -1.26 -5.11 119.66 114.77 1yl3 s GLN 3 Ca 0.00 -0.43 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 1yl3 s GLN 3 Cb 0.00 0.47 0.02 0.00 1.00 0.00 0.00 33.01 34.50 1yl3 s GLN 3 CO 0.00 -0.39 1.61 -1.25 -2.12 0.00 0.00 175.29 173.14 1yl3 s PRO 4 N -2.98 3.28 0.00 2.91 0.04 -1.26 -2.76 135.00 134.23 1yl3 s PRO 4 Ca -0.02 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1yl3 s PRO 4 Cb 0.00 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1yl3 s PRO 4 CO -0.06 -2.58 0.00 -3.47 0.04 0.00 0.00 177.00 170.93 1yl3 n ASP 5 N 10.47 0.00 0.34 6.66 2.03 -1.26 -4.89 116.55 129.90 1yl3 n ASP 5 Ca 0.36 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.89 1yl3 n ASP 5 Cb 0.50 0.00 1.19 0.00 -0.72 0.00 0.00 41.12 42.08 1yl3 n ASP 5 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1yl3 h LYS 6 N 0.00 0.00 0.62 -0.67 1.57 -1.94 -0.18 116.57 115.97 1yl3 h LYS 6 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1yl3 h LYS 6 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1yl3 h LYS 6 CO 0.00 0.00 -0.47 1.96 -0.57 0.00 0.00 179.45 180.37 1yl3 h GLN 7 N 0.00 -1.01 -0.05 3.15 4.20 -1.91 -0.03 115.11 119.46 1yl3 h GLN 7 Ca 0.00 0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1yl3 h GLN 7 Cb 0.07 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1yl3 h GLN 7 CO -0.00 -0.67 -0.17 0.00 -0.67 0.00 0.00 178.83 177.31 1yl3 h ARG 8 N -1.05 -0.25 0.00 1.46 3.08 -1.48 -0.47 114.38 115.67 1yl3 h ARG 8 Ca -0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1yl3 h ARG 8 Cb 0.87 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1yl3 h ARG 8 CO 0.02 -0.17 0.00 1.63 -1.07 0.00 0.00 179.97 180.39 1yl3 n LYS 9 N -5.31 0.00 0.12 0.04 4.01 -0.35 -1.08 118.16 115.58 1yl3 n LYS 9 Ca -0.04 0.75 -0.13 0.00 -0.51 0.00 0.00 58.31 58.37 1yl3 n LYS 9 Cb 0.23 -1.21 -0.08 0.00 -0.51 0.00 0.00 35.03 33.46 1yl3 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1yl3 h SER 10 N 0.00 -0.19 -0.89 4.39 4.64 -0.99 -0.20 113.55 120.31 1yl3 h SER 10 Ca 0.00 -0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1yl3 h SER 10 Cb 0.00 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 1yl3 h SER 10 CO 0.00 -0.08 -0.58 -0.61 -0.87 0.00 0.00 176.83 174.70 1yl3 h GLN 11 N -0.29 -0.06 0.00 4.77 4.15 -0.54 0.01 115.11 123.14 1yl3 h GLN 11 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1yl3 h GLN 11 Cb 0.23 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1yl3 h GLN 11 CO 0.04 -0.04 -0.66 2.89 -1.93 0.00 0.00 178.83 179.13 1yl3 n ARG 12 N -5.23 3.02 0.02 1.69 1.85 -0.24 -3.36 116.66 114.41 1yl3 n ARG 12 Ca 0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1yl3 n ARG 12 Cb 0.27 -1.03 -0.10 0.00 -1.05 0.00 0.00 32.46 30.55 1yl3 n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yl3 h ARG 13 N 0.00 0.00 0.00 2.89 3.08 -1.00 -3.44 114.38 115.91 1yl3 h ARG 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yl3 h ARG 13 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1yl3 h ARG 13 CO 0.00 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 1yl3 n ALA 14 N -2.44 0.00 -1.39 0.04 0.00 -0.02 -4.95 120.51 111.76 1yl3 n ALA 14 Ca -0.10 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.75 1yl3 n ALA 14 Cb 0.92 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 1yl3 n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yl3 n PRO 15 N 0.00 0.32 -0.22 0.00 -0.02 -1.26 -4.75 135.00 129.08 1yl3 n PRO 15 Ca 0.00 0.10 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1yl3 n PRO 15 Cb 0.00 -1.76 0.46 0.00 -0.02 0.00 0.00 33.50 32.18 1yl3 n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1yl3 h LEU 16 N 9.15 0.49 -1.92 2.45 4.07 -1.85 6.22 115.31 133.93 1yl3 h LEU 16 Ca -0.20 0.03 0.10 0.00 0.08 0.00 0.00 57.88 57.89 1yl3 h LEU 16 Cb 1.38 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 1yl3 h LEU 16 CO 1.05 0.24 0.28 0.45 -1.08 0.00 0.00 178.44 179.39 1yl3 h HIS 17 N 0.52 0.10 -0.01 1.13 3.86 -1.89 2.55 115.15 121.41 1yl3 h HIS 17 Ca 0.41 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.65 1yl3 h HIS 17 Cb 0.85 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1yl3 h HIS 17 CO -0.00 0.05 -0.10 0.93 0.86 0.00 0.00 177.93 179.66 1yl3 h GLU 18 N 0.10 -0.17 -0.98 2.45 5.08 1.26 1.36 114.58 123.68 1yl3 h GLU 18 Ca 0.19 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.88 1yl3 h GLU 18 Cb 0.63 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.77 1yl3 h GLU 18 CO -0.02 -0.11 0.48 0.00 -1.00 0.00 0.00 179.01 178.35 1yl3 h ARG 19 N -0.17 0.23 -0.69 2.33 3.08 0.55 5.75 114.38 125.45 1yl3 h ARG 19 Ca 0.04 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.22 1yl3 h ARG 19 Cb 0.23 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.12 1yl3 h ARG 19 CO -0.11 0.15 0.13 1.25 -1.07 0.00 0.00 179.97 180.33 1yl3 h HIS 20 N 0.24 0.20 -0.90 3.04 -0.00 0.33 2.71 115.15 120.76 1yl3 h HIS 20 Ca 0.71 0.04 0.20 0.00 -0.00 0.00 0.00 60.37 61.33 1yl3 h HIS 20 Cb 1.64 0.02 -0.17 0.00 -0.00 0.00 0.00 27.41 28.90 1yl3 h HIS 20 CO -0.08 -0.09 -0.15 0.36 -0.00 0.00 0.00 177.93 177.96 1yl3 n LYS 21 N -5.18 -0.08 0.02 5.26 2.85 1.86 0.61 118.16 123.50 1yl3 n LYS 21 Ca 0.12 1.39 -0.11 0.00 -1.05 0.00 0.00 58.31 58.67 1yl3 n LYS 21 Cb 0.42 -2.12 -0.04 0.00 -0.65 0.00 0.00 35.03 32.64 1yl3 n LYS 21 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1yl3 h GLN 22 N 0.00 -0.39 -0.55 -1.58 4.20 0.59 0.21 115.11 117.59 1yl3 h GLN 22 Ca 0.47 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.40 1yl3 h GLN 22 Cb 0.80 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.56 1yl3 h GLN 22 CO -0.91 -0.26 0.17 0.28 -0.67 0.00 0.00 178.83 177.44 1yl3 n VAL 23 N -5.40 -0.23 -0.52 -0.54 0.31 2.60 -4.57 118.33 109.97 1yl3 n VAL 23 Ca -0.04 1.16 -0.17 0.00 -0.01 0.00 0.00 64.34 65.29 1yl3 n VAL 23 Cb 0.32 -1.80 0.01 0.00 -0.91 0.00 0.00 33.84 31.45 1yl3 n VAL 23 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1yl3 n ARG 24 N -4.44 0.00 0.00 5.55 1.74 0.74 -4.93 116.66 115.32 1yl3 n ARG 24 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1yl3 n ARG 24 Cb 0.58 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1yl3 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yl3 n ALA 25 N -0.79 0.00 0.00 7.54 0.00 -1.26 -5.05 120.51 120.95 1yl3 n ALA 25 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1yl3 n ALA 25 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1yl3 n ALA 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yl3 n THR 26 N 0.00 0.00 -3.73 0.00 -2.24 -1.26 -5.09 114.28 101.97 1yl3 n THR 26 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1yl3 n THR 26 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1yl3 n THR 26 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1yl3 s LEU 27 N 0.00 -0.26 0.00 3.22 0.05 -1.24 -0.96 118.68 119.49 1yl3 s LEU 27 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 53.80 1yl3 s LEU 27 Cb 0.00 2.34 0.00 0.00 -2.05 0.00 0.00 46.19 46.48 1yl3 s LEU 27 CO 0.00 -1.00 0.00 -1.54 -0.55 0.00 0.00 176.35 173.26 1yl3 n SER 28 N -0.43 0.00 0.00 1.48 3.41 0.15 -3.82 113.62 114.41 1yl3 n SER 28 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1yl3 n SER 28 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1yl3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yl3 n ALA 29 N 0.00 0.27 0.00 7.33 0.00 -1.26 -4.62 120.51 122.22 1yl3 n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yl3 n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yl3 n ALA 29 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yl3 n ASP 30 N -0.18 0.00 0.00 0.00 5.75 -1.26 -1.22 116.55 119.63 1yl3 n ASP 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1yl3 n ASP 30 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1yl3 n ASP 30 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1yl3 n LEU 31 N 0.00 0.00 -0.16 -2.12 4.77 -1.26 -0.90 117.00 117.33 1yl3 n LEU 31 Ca 0.00 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1yl3 n LEU 31 Cb 0.00 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1yl3 n LEU 31 CO 0.00 -0.09 0.49 -0.09 -1.33 0.00 0.00 177.39 176.37 1yl3 h ARG 32 N 0.00 -0.01 -0.73 3.23 2.43 -1.41 0.63 114.38 118.52 1yl3 h ARG 32 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1yl3 h ARG 32 Cb 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 1yl3 h ARG 32 CO 0.00 -0.00 0.35 1.05 -1.51 0.00 0.00 179.97 179.85 1yl3 h GLU 33 N -0.01 0.55 -0.93 0.20 9.09 -0.26 0.62 114.58 123.85 1yl3 h GLU 33 Ca 0.06 -0.03 0.25 0.00 0.05 0.00 0.00 59.36 59.69 1yl3 h GLU 33 Cb 0.16 -0.12 -0.17 0.00 -1.65 0.00 0.00 28.75 26.96 1yl3 h GLU 33 CO -0.35 0.36 0.01 0.39 0.05 0.00 0.00 179.01 179.48 1yl3 n GLU 34 N -4.89 -0.07 0.00 1.06 1.02 0.20 -4.82 120.64 113.14 1yl3 n GLU 34 Ca 0.12 1.39 0.00 0.00 -0.02 0.00 0.00 57.16 58.65 1yl3 n GLU 34 Cb 0.31 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1yl3 n GLU 34 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1yl3 n TYR 35 N -5.37 0.00 0.00 -0.32 0.18 0.22 -5.07 117.16 106.79 1yl3 n TYR 35 Ca 0.22 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.00 1yl3 n TYR 35 Cb 0.71 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.67 1yl3 n TYR 35 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1yl3 n GLY 36 N 0.00 0.00 2.95 -7.48 0.00 -1.26 -4.66 105.19 94.74 1yl3 n GLY 36 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1yl3 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yl3 s VAL 40 N 0.00 -0.01 0.10 1.61 1.01 -1.26 -5.09 120.40 116.75 1yl3 s VAL 40 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1yl3 s VAL 40 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1yl3 s VAL 40 CO 0.00 0.02 0.00 0.54 0.00 0.00 0.00 175.10 175.66 1yl3 n ARG 41 N 3.34 -0.86 0.00 2.72 1.74 -1.26 -4.59 116.66 117.75 1yl3 n ARG 41 Ca -0.16 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1yl3 n ARG 41 Cb 0.57 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 1yl3 n ARG 41 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1yl3 n VAL 42 N -0.98 0.00 -1.48 1.55 0.31 -1.26 -4.43 118.33 112.03 1yl3 n VAL 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1yl3 n VAL 42 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1yl3 n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1yl3 n ASN 43 N 0.00 0.00 0.00 4.52 3.02 -1.26 -4.36 115.26 117.18 1yl3 n ASN 43 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1yl3 n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1yl3 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yl3 n ALA 44 N 0.00 0.00 -2.89 5.41 0.00 -1.26 -4.16 120.51 117.61 1yl3 n ALA 44 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1yl3 n ALA 44 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 1yl3 n ALA 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yl3 s GLY 45 N 0.00 1.61 0.31 0.00 0.00 -1.26 -4.74 107.32 103.24 1yl3 s GLY 45 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.87 1yl3 s GLY 45 CO 0.00 1.75 0.37 1.34 0.00 0.00 0.00 173.10 176.55 1yl3 n ASP 46 N 6.81 -0.99 -4.87 1.64 -0.08 -1.26 -4.76 116.55 113.04 1yl3 n ASP 46 Ca -0.06 -2.79 -0.31 0.00 -1.51 0.00 0.00 54.79 50.12 1yl3 n ASP 46 Cb 0.45 1.97 -0.05 0.00 2.34 0.00 0.00 41.12 45.83 1yl3 n ASP 46 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1yl3 s THR 47 N -2.94 4.84 0.24 5.18 -1.32 -0.51 -0.88 115.64 120.25 1yl3 s THR 47 Ca 0.30 0.57 -0.13 0.00 -1.21 0.00 0.00 61.69 61.22 1yl3 s THR 47 Cb 0.00 -3.66 -0.00 0.00 -1.51 0.00 0.00 72.50 67.33 1yl3 s THR 47 CO 0.21 -0.25 0.47 -0.69 -2.21 0.00 0.00 174.62 172.15 1yl3 s VAL 48 N -2.04 0.01 0.02 5.08 1.01 -0.19 -0.96 120.40 123.33 1yl3 s VAL 48 Ca 0.50 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1yl3 s VAL 48 Cb -0.11 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1yl3 s VAL 48 CO 0.24 -0.02 -0.08 -0.70 0.00 0.00 0.00 175.10 174.53 1yl3 s GLU 49 N -4.01 0.59 -0.18 2.72 -6.30 0.23 -1.04 118.70 110.72 1yl3 s GLU 49 Ca 0.21 -0.54 -0.17 0.00 -2.50 0.00 0.00 54.97 51.97 1yl3 s GLU 49 Cb -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 34.13 33.59 1yl3 s GLU 49 CO 0.08 0.12 0.44 0.08 0.02 0.00 0.00 175.26 175.99 1yl3 s VAL 50 N -0.78 5.18 -0.95 3.70 1.01 -0.22 -1.16 120.40 127.17 1yl3 s VAL 50 Ca -0.03 0.81 0.15 0.00 0.00 0.00 0.00 61.98 62.91 1yl3 s VAL 50 Cb -0.06 -3.77 0.65 0.00 0.00 0.00 0.00 36.38 33.20 1yl3 s VAL 50 CO 0.00 0.26 1.54 0.00 0.00 0.00 0.00 175.10 176.90 1yl3 n LEU 51 N 4.28 4.47 0.00 3.92 -0.00 -0.51 0.14 117.00 129.30 1yl3 n LEU 51 Ca -0.07 -2.26 -0.05 0.00 -0.00 0.00 0.00 56.01 53.62 1yl3 n LEU 51 Cb 0.51 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1yl3 n LEU 51 CO 0.41 0.68 0.20 0.54 -0.00 0.00 0.00 177.39 179.22 1yl3 n ARG 52 N 0.84 0.50 -0.68 1.47 1.74 -1.26 -4.37 116.66 114.90 1yl3 n ARG 52 Ca 0.23 -1.22 0.09 0.00 -0.77 0.00 0.00 57.85 56.17 1yl3 n ARG 52 Cb 0.87 1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 33.67 1yl3 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yl3 n GLY 53 N -0.28 -2.42 0.30 -0.13 0.00 -1.26 0.58 105.19 101.98 1yl3 n GLY 53 Ca -0.03 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.79 1yl3 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yl3 h ASP 54 N -0.65 0.13 0.00 1.61 3.32 -2.01 3.79 116.42 122.61 1yl3 h ASP 54 Ca -0.05 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1yl3 h ASP 54 Cb 0.64 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1yl3 h ASP 54 CO 0.03 -0.05 0.00 0.49 -1.72 0.00 0.00 179.24 177.99 1yl3 n PHE 55 N -5.13 0.00 -1.51 4.55 0.99 -1.25 -4.76 117.46 110.36 1yl3 n PHE 55 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.21 1yl3 n PHE 55 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.07 1yl3 n PHE 55 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yl3 n ALA 56 N -0.78 -1.00 -3.62 4.37 0.00 1.25 -1.56 120.51 119.17 1yl3 n ALA 56 Ca 0.00 0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 1yl3 n ALA 56 Cb 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 19.45 17.63 1yl3 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl3 n GLY 57 N 1.57 -0.35 3.24 0.00 0.00 0.38 -4.78 105.19 105.25 1yl3 n GLY 57 Ca 0.11 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1yl3 n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yl3 s GLU 58 N -5.79 2.42 -0.11 1.61 2.12 -0.44 -4.93 118.70 113.57 1yl3 s GLU 58 Ca 0.02 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1yl3 s GLU 58 Cb -0.01 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.31 1yl3 s GLU 58 CO 0.79 0.35 1.26 -1.83 -0.54 0.00 0.00 175.26 175.29 1yl3 s GLU 59 N -0.11 4.28 0.20 4.30 -1.05 -1.26 -1.06 118.70 123.99 1yl3 s GLU 59 Ca -0.04 1.69 -0.18 0.00 -0.15 0.00 0.00 54.97 56.30 1yl3 s GLU 59 Cb -0.13 -3.68 0.03 0.00 -0.44 0.00 0.00 34.13 29.90 1yl3 s GLU 59 CO 0.04 -0.61 0.53 0.20 0.95 0.00 0.00 175.26 176.37 1yl3 s GLY 60 N 1.82 -0.11 -0.06 -3.83 0.00 -0.21 -4.61 107.32 100.33 1yl3 s GLY 60 Ca 0.56 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 45.11 1yl3 s GLY 60 CO 0.18 -0.24 -0.16 -0.54 0.00 0.00 0.00 173.10 172.34 1yl3 s GLU 61 N -3.87 2.63 -0.01 2.90 8.01 -1.26 -1.02 118.70 126.08 1yl3 s GLU 61 Ca 0.09 -0.74 -0.30 0.00 0.01 0.00 0.00 54.97 54.03 1yl3 s GLU 61 Cb -0.01 -2.37 -0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1yl3 s GLU 61 CO -0.03 0.52 1.08 0.08 0.01 0.00 0.00 175.26 176.93 1yl3 s VAL 62 N -0.47 4.52 -0.01 2.63 1.01 -0.06 -0.91 120.40 127.11 1yl3 s VAL 62 Ca 0.06 1.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.78 1yl3 s VAL 62 Cb -0.12 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1yl3 s VAL 62 CO 0.02 0.10 -0.13 -0.38 0.00 0.00 0.00 175.10 174.71 1yl3 n ILE 63 N 4.13 1.21 -3.70 2.22 5.41 -0.09 -4.10 119.36 124.44 1yl3 n ILE 63 Ca 0.08 0.29 -0.39 0.00 1.00 0.00 0.00 62.75 63.74 1yl3 n ILE 63 Cb 0.49 -1.82 -0.12 0.00 -0.71 0.00 0.00 39.64 37.47 1yl3 n ILE 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1yl3 s ASN 64 N -5.83 5.43 -0.30 4.38 0.01 -0.97 -4.84 114.94 112.83 1yl3 s ASN 64 Ca -0.10 -1.01 -0.29 0.00 -0.71 0.00 0.00 52.86 50.74 1yl3 s ASN 64 Cb 0.01 -1.92 -0.00 0.00 0.41 0.00 0.00 41.25 39.75 1yl3 s ASN 64 CO 0.15 -0.32 1.36 -0.69 -1.51 0.00 0.00 177.10 176.09 1yl3 s VAL 65 N 1.47 4.05 -0.60 1.60 1.01 -1.26 -1.20 120.40 125.47 1yl3 s VAL 65 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.21 1yl3 s VAL 65 Cb -0.19 -4.09 0.31 0.00 0.00 0.00 0.00 36.38 32.40 1yl3 s VAL 65 CO 0.04 -0.47 0.87 0.47 0.00 0.00 0.00 175.10 176.01 1yl3 n ASP 66 N 7.86 4.13 0.19 3.32 8.00 -0.34 -4.81 116.55 134.89 1yl3 n ASP 66 Ca 0.15 -3.58 0.16 0.00 0.71 0.00 0.00 54.79 52.24 1yl3 n ASP 66 Cb 0.46 -0.60 0.79 0.00 -0.02 0.00 0.00 41.12 41.75 1yl3 n ASP 66 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1yl3 h LEU 67 N 3.43 0.00 0.00 0.64 3.38 -1.90 0.52 115.31 121.39 1yl3 h LEU 67 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1yl3 h LEU 67 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1yl3 h LEU 67 CO 0.82 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 1yl3 n ASP 68 N -4.00 0.00 0.00 -0.43 2.03 -1.26 0.11 116.55 113.00 1yl3 n ASP 68 Ca 0.02 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1yl3 n ASP 68 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1yl3 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1yl3 n LYS 69 N -0.26 0.00 -2.64 -0.67 5.02 -1.23 -4.69 118.16 113.68 1yl3 n LYS 69 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1yl3 n LYS 69 Cb 0.00 -1.33 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1yl3 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yl3 n ALA 70 N -0.77 -0.58 -3.00 7.82 0.00 0.12 -5.02 120.51 119.08 1yl3 n ALA 70 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1yl3 n ALA 70 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1yl3 n ALA 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1yl3 n VAL 71 N -2.57 0.00 -4.06 0.00 3.14 0.16 -4.66 118.33 110.34 1yl3 n VAL 71 Ca -0.06 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.22 1yl3 n VAL 71 Cb 0.54 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.26 1yl3 n VAL 71 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1yl3 s ILE 72 N -2.31 0.00 -0.07 1.55 1.01 -0.33 -1.20 121.20 119.85 1yl3 s ILE 72 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 60.65 59.11 1yl3 s ILE 72 Cb 0.00 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1yl3 s ILE 72 CO 0.00 0.00 -0.24 -1.00 0.00 0.00 0.00 174.94 173.70 1yl3 s HIS 73 N -4.01 2.43 -0.04 3.97 3.76 -0.34 -0.96 115.29 120.10 1yl3 s HIS 73 Ca 0.28 -0.84 0.05 0.00 -0.15 0.00 0.00 55.06 54.39 1yl3 s HIS 73 Cb 0.02 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1yl3 s HIS 73 CO 0.10 -0.30 -0.18 0.08 -0.85 0.00 0.00 174.74 173.60 1yl3 s VAL 74 N 0.07 1.48 0.28 -0.90 1.01 -1.26 -0.91 120.40 120.17 1yl3 s VAL 74 Ca -0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1yl3 s VAL 74 Cb -0.15 -1.26 0.30 0.00 0.00 0.00 0.00 36.38 35.26 1yl3 s VAL 74 CO 0.06 0.42 1.65 1.05 0.00 0.00 0.00 175.10 178.28 1yl3 h GLU 75 N 6.08 0.20 0.00 2.72 9.09 -1.39 -3.00 114.58 128.28 1yl3 h GLU 75 Ca -0.34 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.06 1yl3 h GLU 75 Cb 1.17 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1yl3 h GLU 75 CO 0.48 0.13 0.00 -3.47 0.05 0.00 0.00 179.01 176.20 1yl3 n ASP 76 N -5.23 0.00 -4.08 3.06 -0.08 -1.26 -4.16 116.55 104.79 1yl3 n ASP 76 Ca 0.19 0.62 -0.03 0.00 -1.51 0.00 0.00 54.79 54.07 1yl3 n ASP 76 Cb 0.62 -0.13 -0.02 0.00 2.34 0.00 0.00 41.12 43.93 1yl3 n ASP 76 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1yl3 n VAL 77 N -0.90 0.00 -4.24 5.18 0.31 -1.14 -4.76 118.33 112.79 1yl3 n VAL 77 Ca 0.00 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 1yl3 n VAL 77 Cb 0.00 -0.35 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 1yl3 n VAL 77 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1yl3 s THR 78 N 3.17 0.76 0.04 2.52 -4.23 -1.26 -0.99 115.64 115.65 1yl3 s THR 78 Ca 0.14 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1yl3 s THR 78 Cb -0.01 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1yl3 s THR 78 CO 0.04 -0.54 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.33 1yl3 s LEU 79 N -3.17 2.42 0.09 4.79 2.96 -0.24 -4.81 118.68 120.72 1yl3 s LEU 79 Ca 0.22 -0.86 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1yl3 s LEU 79 Cb 0.06 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 1yl3 s LEU 79 CO 0.03 -0.51 0.22 -1.61 -1.32 0.00 0.00 176.35 173.16 1yl3 s GLU 80 N -3.22 3.40 0.00 1.98 2.02 -1.26 -0.92 118.70 120.69 1yl3 s GLU 80 Ca 0.01 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1yl3 s GLU 80 Cb 0.03 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1yl3 s GLU 80 CO -0.07 0.58 0.00 1.17 0.02 0.00 0.00 175.26 176.95 1yl3 n LYS 81 N 0.03 0.98 -0.04 1.61 4.81 -0.08 -4.92 118.16 120.54 1yl3 n LYS 81 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.32 1yl3 n LYS 81 Cb 0.52 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.53 1yl3 n LYS 81 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1yl3 n THR 82 N -0.48 0.52 -0.07 3.15 -1.04 -1.26 -4.31 114.28 110.79 1yl3 n THR 82 Ca 0.00 -0.21 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1yl3 n THR 82 Cb 0.00 -0.82 0.35 0.00 -1.82 0.00 0.00 70.33 68.04 1yl3 n THR 82 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yl3 h ASP 83 N 0.00 0.60 0.00 8.00 5.19 -2.06 -3.47 116.42 124.68 1yl3 h ASP 83 Ca -0.20 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1yl3 h ASP 83 Cb 1.33 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1yl3 h ASP 83 CO -0.03 0.46 0.00 0.61 -3.12 0.00 0.00 179.24 177.17 1yl3 n GLY 84 N -1.37 -0.40 0.00 2.75 0.00 -1.26 -5.14 105.19 99.76 1yl3 n GLY 84 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1yl3 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yl3 n GLU 85 N 0.00 0.00 -3.50 1.61 2.13 -1.26 -1.48 120.64 118.13 1yl3 n GLU 85 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1yl3 n GLU 85 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1yl3 n GLU 85 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1yl3 s GLU 86 N 0.00 3.78 0.05 5.31 2.02 -1.26 -0.90 118.70 127.70 1yl3 s GLU 86 Ca 0.00 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.97 1yl3 s GLU 86 Cb 0.00 -2.82 0.05 0.00 0.10 0.00 0.00 34.13 31.46 1yl3 s GLU 86 CO 0.00 0.44 0.53 0.08 0.02 0.00 0.00 175.26 176.32 1yl3 s VAL 87 N -1.62 0.03 0.25 2.63 1.01 -0.10 -4.92 120.40 117.67 1yl3 s VAL 87 Ca 0.41 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1yl3 s VAL 87 Cb -0.13 -0.98 -0.13 0.00 0.00 0.00 0.00 36.38 35.15 1yl3 s VAL 87 CO 0.21 -0.13 1.51 -0.81 0.00 0.00 0.00 175.10 175.88 1yl3 n PRO 88 N 0.38 2.32 -2.65 2.72 -0.04 -1.26 -1.08 135.00 135.39 1yl3 n PRO 88 Ca -0.18 0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 63.79 1yl3 n PRO 88 Cb 0.60 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1yl3 n PRO 88 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1yl3 s ARG 89 N -0.18 3.85 -0.37 0.54 0.52 -0.16 -4.77 118.95 118.39 1yl3 s ARG 89 Ca 0.69 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 56.29 1yl3 s ARG 89 Cb -0.59 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 32.61 1yl3 s ARG 89 CO 0.47 -0.14 1.26 -1.25 0.02 0.00 0.00 175.30 175.66 1yl3 s PRO 90 N -3.95 3.80 -0.33 3.54 0.04 -1.26 -4.62 135.00 132.22 1yl3 s PRO 90 Ca 0.55 0.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 1yl3 s PRO 90 Cb -0.10 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 1yl3 s PRO 90 CO 0.31 -1.26 0.26 -0.51 0.04 0.00 0.00 177.00 175.83 1yl3 s LEU 91 N 4.57 4.44 -0.91 -3.56 1.43 -0.13 -5.00 118.68 119.53 1yl3 s LEU 91 Ca 0.54 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1yl3 s LEU 91 Cb -0.13 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1yl3 s LEU 91 CO 0.26 -0.23 1.88 -0.62 0.23 0.00 0.00 176.35 177.88 1yl3 s ASP 92 N 1.73 5.31 0.00 2.29 2.15 -1.26 -1.18 116.67 125.71 1yl3 s ASP 92 Ca 0.07 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.30 1yl3 s ASP 92 Cb -0.17 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1yl3 s ASP 92 CO 0.11 -2.58 0.00 0.35 -0.17 0.00 0.00 175.17 172.87 1yl3 n THR 93 N 7.74 0.00 -0.09 1.71 -2.24 -1.26 -1.43 114.28 118.71 1yl3 n THR 93 Ca 0.39 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 1yl3 n THR 93 Cb 0.48 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.86 1yl3 n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1yl3 n SER 94 N -1.85 0.09 -0.57 3.42 2.88 -1.26 -0.96 113.62 115.36 1yl3 n SER 94 Ca 0.00 0.43 0.06 0.00 -1.33 0.00 0.00 58.87 58.03 1yl3 n SER 94 Cb 0.00 -0.21 0.20 0.00 -0.75 0.00 0.00 64.21 63.45 1yl3 n SER 94 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1yl3 n ASN 95 N -3.56 1.75 -4.60 -3.46 3.02 -0.51 -5.00 115.26 102.89 1yl3 n ASN 95 Ca 0.10 -3.83 -0.43 0.00 -0.03 0.00 0.00 54.58 50.39 1yl3 n ASN 95 Cb 0.34 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1yl3 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yl3 s VAL 96 N -3.18 4.30 -0.20 2.41 1.01 -0.14 -1.43 120.40 123.16 1yl3 s VAL 96 Ca 0.38 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.56 1yl3 s VAL 96 Cb 0.36 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1yl3 s VAL 96 CO -0.06 -0.89 0.02 -0.13 0.00 0.00 0.00 175.10 174.04 1yl3 s ARG 97 N 4.22 3.70 0.37 2.72 0.52 -0.31 -4.63 118.95 125.53 1yl3 s ARG 97 Ca 0.46 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1yl3 s ARG 97 Cb -0.08 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1yl3 s ARG 97 CO 0.28 0.05 0.61 0.08 0.02 0.00 0.00 175.30 176.34 1yl3 s VAL 98 N 0.92 5.04 0.00 3.52 1.01 -0.14 -0.60 120.40 130.15 1yl3 s VAL 98 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1yl3 s VAL 98 Cb -0.14 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1yl3 s VAL 98 CO 0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.10 174.96 1yl3 n THR 99 N -1.69 0.00 -1.55 3.92 -1.04 -0.13 -0.67 114.28 113.12 1yl3 n THR 99 Ca -0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 1yl3 n THR 99 Cb 0.55 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.02 1yl3 n THR 99 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1yl3 n ASP 100 N -0.88 2.18 -4.56 8.00 8.00 -1.26 -4.63 116.55 123.41 1yl3 n ASP 100 Ca 0.00 -0.67 -0.32 0.00 0.71 0.00 0.00 54.79 54.51 1yl3 n ASP 100 Cb 0.00 -1.59 -0.04 0.00 -0.02 0.00 0.00 41.12 39.47 1yl3 n ASP 100 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yl3 s LEU 101 N 12.63 3.24 -0.54 0.64 0.20 -1.26 -1.43 118.68 132.16 1yl3 s LEU 101 Ca 0.98 -0.53 -0.42 0.00 0.69 0.00 0.00 54.13 54.85 1yl3 s LEU 101 Cb -0.19 -2.55 -0.19 0.00 -0.43 0.00 0.00 46.19 42.83 1yl3 s LEU 101 CO 0.24 -2.46 2.20 0.47 -0.29 0.00 0.00 176.35 176.51 1yl3 n ASP 102 N 12.81 0.81 0.00 3.68 9.92 -1.26 -4.70 116.55 137.81 1yl3 n ASP 102 Ca 0.33 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 1yl3 n ASP 102 Cb 0.49 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1yl3 n ASP 102 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1yl3 n LEU 103 N 8.03 0.00 0.26 0.64 4.77 -1.26 -4.58 117.00 124.86 1yl3 n LEU 103 Ca 0.55 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 1yl3 n LEU 103 Cb -0.01 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.45 1yl3 n LEU 103 CO 0.88 0.00 1.08 -0.33 -1.33 0.00 0.00 177.39 177.69 1yl3 h GLU 104 N 0.00 0.00 -6.46 3.23 3.07 -1.98 -3.21 114.58 109.23 1yl3 h GLU 104 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 1yl3 h GLU 104 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1yl3 h GLU 104 CO 0.00 0.00 1.04 -0.51 -1.40 0.00 0.00 179.01 178.14 1yl3 s ASP 105 N -3.68 6.26 0.24 1.42 1.11 -1.26 -4.88 116.67 115.87 1yl3 s ASP 105 Ca -0.02 0.03 0.01 0.00 0.18 0.00 0.00 52.55 52.75 1yl3 s ASP 105 Cb 0.05 -2.55 0.56 0.00 1.07 0.00 0.00 42.92 42.05 1yl3 s ASP 105 CO 0.18 -1.66 1.20 -0.62 1.18 0.00 0.00 175.17 175.45 1yl3 n GLU 106 N 8.75 -0.06 -0.14 8.23 1.02 -1.21 0.22 120.64 137.45 1yl3 n GLU 106 Ca 0.09 1.15 -0.08 0.00 -0.02 0.00 0.00 57.16 58.30 1yl3 n GLU 106 Cb 0.49 -1.82 0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1yl3 n GLU 106 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1yl3 h LYS 107 N 0.00 0.91 -0.20 3.49 1.57 -1.90 0.08 116.57 120.52 1yl3 h LYS 107 Ca 0.45 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1yl3 h LYS 107 Cb 0.91 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1yl3 h LYS 107 CO -0.73 0.95 -0.06 0.00 -0.57 0.00 0.00 179.45 179.05 1yl3 h ARG 108 N 0.82 -0.01 0.26 3.15 3.08 0.25 -0.29 114.38 121.65 1yl3 h ARG 108 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1yl3 h ARG 108 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1yl3 h ARG 108 CO 0.04 -0.01 -0.34 1.49 -1.07 0.00 0.00 179.97 180.08 1yl3 h GLU 109 N -0.01 -0.60 -0.86 0.04 4.81 -0.75 -1.34 114.58 115.86 1yl3 h GLU 109 Ca 0.10 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.51 1yl3 h GLU 109 Cb 0.16 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 29.53 1yl3 h GLU 109 CO -0.21 -0.40 -0.33 0.00 -0.73 0.00 0.00 179.01 177.34 1yl3 n ALA 110 N -2.67 -0.08 0.03 2.92 0.00 -0.02 -0.73 120.51 119.96 1yl3 n ALA 110 Ca -0.07 0.87 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 1yl3 n ALA 110 Cb 0.30 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 1yl3 n ALA 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1yl3 h ARG 111 N 0.00 -0.11 0.00 0.00 2.43 -0.72 -3.41 114.38 112.58 1yl3 h ARG 111 Ca 0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1yl3 h ARG 111 Cb 0.52 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1yl3 h ARG 111 CO -0.86 0.31 -0.03 1.47 -1.51 0.00 0.00 179.97 179.36 1yl3 n LEU 112 N -4.93 1.43 0.00 3.80 -0.00 -0.54 -4.52 117.00 112.24 1yl3 n LEU 112 Ca -0.09 -1.57 0.00 0.00 -0.00 0.00 0.00 56.01 54.36 1yl3 n LEU 112 Cb 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1yl3 n LEU 112 CO 0.32 0.38 0.00 1.21 -0.00 0.00 0.00 177.39 179.30