#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yl4 s ASN 9 N 0.00 -0.47 0.05 0.55 3.84 -1.26 -5.16 114.94 112.49 1yl4 s ASN 9 Ca 0.00 0.57 -0.04 0.00 0.21 0.00 0.00 52.86 53.61 1yl4 s ASN 9 Cb 0.00 1.51 -0.02 0.00 -0.55 0.00 0.00 41.25 42.18 1yl4 s ASN 9 CO 0.00 -0.09 0.05 -0.22 -2.79 0.00 0.00 177.10 174.05 1yl4 s LEU 10 N 2.47 2.08 -0.37 3.21 2.96 -1.26 -5.13 118.68 122.64 1yl4 s LEU 10 Ca -0.01 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1yl4 s LEU 10 Cb -0.06 0.46 0.11 0.00 0.50 0.00 0.00 46.19 47.20 1yl4 s LEU 10 CO -0.16 -0.58 0.12 -0.44 -1.32 0.00 0.00 176.35 173.97 1yl4 s SER 11 N -2.60 4.34 0.00 3.68 0.01 -1.26 -4.68 113.70 113.19 1yl4 s SER 11 Ca 0.02 -2.22 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1yl4 s SER 11 Cb 0.04 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.93 1yl4 s SER 11 CO -0.08 -0.35 0.00 0.00 0.41 0.00 0.00 173.24 173.22 1yl4 n ALA 12 N 4.13 0.00 -0.02 1.44 0.00 -1.26 -4.81 120.51 120.00 1yl4 n ALA 12 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.71 1yl4 n ALA 12 Cb 0.39 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.56 1yl4 n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yl4 h LEU 13 N 0.00 0.00 -0.40 0.00 4.07 -2.00 0.74 115.31 117.72 1yl4 h LEU 13 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1yl4 h LEU 13 Cb 0.06 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 1yl4 h LEU 13 CO 0.00 0.00 -0.25 0.50 -1.08 0.00 0.00 178.44 177.61 1yl4 h LYS 14 N 0.00 -0.01 -0.19 1.13 3.64 -1.97 3.51 116.57 122.68 1yl4 h LYS 14 Ca 0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1yl4 h LYS 14 Cb 1.38 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1yl4 h LYS 14 CO -0.00 -0.01 -0.08 0.54 -2.27 0.00 0.00 179.45 177.63 1yl4 n ARG 15 N -3.93 -0.05 0.00 1.90 5.12 0.26 -0.27 116.66 119.68 1yl4 n ARG 15 Ca 0.01 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1yl4 n ARG 15 Cb 0.11 -0.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.98 1yl4 n ARG 15 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1yl4 n HIS 16 N -4.28 0.00 -0.26 -1.55 -0.00 1.15 -0.67 115.22 109.62 1yl4 n HIS 16 Ca 0.02 0.00 0.24 0.00 0.46 0.00 0.00 57.72 58.43 1yl4 n HIS 16 Cb 0.07 0.00 0.44 0.00 -0.12 0.00 0.00 29.99 30.38 1yl4 n HIS 16 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1yl4 n ARG 17 N -0.52 -0.05 0.14 1.57 1.74 0.62 0.28 116.66 120.44 1yl4 n ARG 17 Ca 0.00 1.11 -0.07 0.00 -0.77 0.00 0.00 57.85 58.12 1yl4 n ARG 17 Cb 0.00 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.44 1yl4 n ARG 17 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yl4 h GLN 18 N 0.00 -0.41 -0.41 5.56 4.20 -0.86 -0.61 115.11 122.59 1yl4 h GLN 18 Ca 0.65 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.46 1yl4 h GLN 18 Cb 1.68 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 29.48 1yl4 h GLN 18 CO -0.63 -0.27 -0.14 0.45 -0.67 0.00 0.00 178.83 177.57 1yl4 n SER 19 N -3.42 -0.22 0.00 1.46 2.88 0.79 0.69 113.62 115.80 1yl4 n SER 19 Ca -0.05 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1yl4 n SER 19 Cb 0.18 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yl4 n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1yl4 n LEU 20 N -4.62 0.00 -0.35 2.46 4.77 -0.07 -0.77 117.00 118.42 1yl4 n LEU 20 Ca 0.05 0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 56.76 1yl4 n LEU 20 Cb 0.18 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 1yl4 n LEU 20 CO -0.05 -0.31 0.41 0.29 -1.33 0.00 0.00 177.39 176.39 1yl4 n LYS 21 N -1.59 -0.35 0.06 3.23 5.02 0.22 -0.61 118.16 124.13 1yl4 n LYS 21 Ca 0.00 1.26 -0.15 0.00 -2.02 0.00 0.00 58.31 57.40 1yl4 n LYS 21 Cb 0.00 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.07 1yl4 n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yl4 h ARG 22 N 0.00 -0.61 -0.93 1.97 3.08 -1.11 -1.03 114.38 115.75 1yl4 h ARG 22 Ca 0.15 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.34 1yl4 h ARG 22 Cb 0.36 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.42 1yl4 h ARG 22 CO -0.79 -0.41 -0.49 -2.13 -1.07 0.00 0.00 179.97 175.09 1yl4 n ARG 23 N -5.46 -0.35 -0.06 0.04 0.00 0.22 0.16 116.66 111.21 1yl4 n ARG 23 Ca -0.07 1.42 -0.06 0.00 -0.00 0.00 0.00 57.85 59.14 1yl4 n ARG 23 Cb 0.39 -2.09 -0.05 0.00 0.00 0.00 0.00 32.46 30.71 1yl4 n ARG 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1yl4 h LEU 24 N 0.00 -0.84 0.00 6.15 -0.00 0.07 -1.11 115.31 119.59 1yl4 h LEU 24 Ca 0.21 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1yl4 h LEU 24 Cb 0.44 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1yl4 h LEU 24 CO -0.89 -0.19 0.00 -1.14 -0.00 0.00 0.00 178.44 176.22 1yl4 n ARG 25 N -3.91 0.00 -0.35 1.13 0.63 0.41 -1.07 116.66 113.50 1yl4 n ARG 25 Ca -0.02 0.84 0.24 0.00 -0.92 0.00 0.00 57.85 57.99 1yl4 n ARG 25 Cb 0.16 -1.35 0.49 0.00 0.45 0.00 0.00 32.46 32.20 1yl4 n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 1yl4 h ASN 26 N 0.00 0.49 0.05 6.15 -0.00 -1.07 0.79 115.58 121.99 1yl4 h ASN 26 Ca 0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1yl4 h ASN 26 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 1yl4 h ASN 26 CO 0.00 0.01 -0.02 0.50 -0.00 0.00 0.00 177.43 177.91 1yl4 h LYS 27 N 0.38 -0.06 -0.24 4.14 3.11 0.19 -0.21 116.57 123.88 1yl4 h LYS 27 Ca 0.67 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.53 1yl4 h LYS 27 Cb 1.62 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.84 1yl4 h LYS 27 CO -0.42 -0.04 -0.14 0.00 -2.81 0.00 0.00 179.45 176.03 1yl4 n ALA 28 N -2.07 -0.15 0.22 5.00 0.00 0.26 0.24 120.51 124.01 1yl4 n ALA 28 Ca -0.01 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1yl4 n ALA 28 Cb 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 1yl4 n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1yl4 h LYS 29 N 0.00 -0.52 -0.94 0.00 1.57 -0.92 -0.90 116.57 114.85 1yl4 h LYS 29 Ca 0.04 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.12 1yl4 h LYS 29 Cb 0.10 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 1yl4 h LYS 29 CO -0.23 -0.25 0.41 -0.22 -0.57 0.00 0.00 179.45 178.59 1yl4 h LYS 30 N -0.72 0.29 -0.13 3.15 3.64 0.17 0.89 116.57 123.86 1yl4 h LYS 30 Ca -0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1yl4 h LYS 30 Cb 0.51 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1yl4 h LYS 30 CO 0.09 0.19 -0.21 0.66 -2.27 0.00 0.00 179.45 177.91 1yl4 h SER 31 N 0.30 -0.69 -0.32 4.20 4.64 -0.26 -0.40 113.55 121.02 1yl4 h SER 31 Ca 0.63 0.09 0.05 0.00 -0.47 0.00 0.00 61.79 62.09 1yl4 h SER 31 Cb 1.35 0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 63.64 1yl4 h SER 31 CO -0.61 -0.16 -0.53 0.00 -0.87 0.00 0.00 176.83 174.66 1yl4 h ALA 32 N -0.87 -0.75 -0.91 5.18 0.00 0.20 0.74 119.26 122.86 1yl4 h ALA 32 Ca 0.02 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1yl4 h ALA 32 Cb 0.23 1.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1yl4 h ALA 32 CO -0.21 -1.03 -0.20 -0.89 0.00 0.00 0.00 179.25 176.92 1yl4 n ILE 33 N -5.40 -0.38 0.00 0.00 5.41 0.00 -0.65 119.36 118.34 1yl4 n ILE 33 Ca -0.04 2.08 0.00 0.00 1.00 0.00 0.00 62.75 65.79 1yl4 n ILE 33 Cb 0.36 -2.89 0.00 0.00 -0.71 0.00 0.00 39.64 36.39 1yl4 n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1yl4 n LYS 34 N -5.47 0.00 -0.22 0.38 5.02 0.11 -0.80 118.16 117.18 1yl4 n LYS 34 Ca 0.15 0.33 0.15 0.00 -2.02 0.00 0.00 58.31 56.92 1yl4 n LYS 34 Cb 0.48 -1.32 0.28 0.00 -0.02 0.00 0.00 35.03 34.45 1yl4 n LYS 34 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1yl4 n THR 35 N -1.48 -0.28 0.00 -0.18 -1.04 0.03 0.14 114.28 111.47 1yl4 n THR 35 Ca 0.00 1.40 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 1yl4 n THR 35 Cb 0.00 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 1yl4 n THR 35 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1yl4 n LEU 36 N -4.71 0.07 -0.28 -4.42 0.00 0.18 -0.94 117.00 106.91 1yl4 n LEU 36 Ca 0.20 0.79 0.06 0.00 0.00 0.00 0.00 56.01 57.05 1yl4 n LEU 36 Cb 0.65 -0.32 0.13 0.00 0.00 0.00 0.00 43.42 43.89 1yl4 n LEU 36 CO -0.03 -0.32 0.54 -1.54 0.00 0.00 0.00 177.39 176.05 1yl4 n SER 37 N -1.46 -0.24 0.05 1.96 3.41 0.36 0.38 113.62 118.08 1yl4 n SER 37 Ca 0.00 1.35 -0.02 0.00 -0.26 0.00 0.00 58.87 59.94 1yl4 n SER 37 Cb 0.00 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1yl4 n SER 37 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yl4 h LYS 38 N 0.00 -0.12 -0.22 4.33 1.57 -1.00 -0.06 116.57 121.07 1yl4 h LYS 38 Ca 0.40 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1yl4 h LYS 38 Cb 0.66 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1yl4 h LYS 38 CO -0.80 -0.08 -0.13 1.17 -0.57 0.00 0.00 179.45 179.05 1yl4 n LYS 39 N -2.36 -0.10 0.02 3.15 4.81 0.16 0.90 118.16 124.75 1yl4 n LYS 39 Ca -0.02 0.60 -0.11 0.00 -0.87 0.00 0.00 58.31 57.91 1yl4 n LYS 39 Cb 0.05 -0.89 -0.07 0.00 0.02 0.00 0.00 35.03 34.14 1yl4 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yl4 h ALA 40 N -0.16 -0.80 -0.89 3.14 0.00 -0.96 0.28 119.26 119.87 1yl4 h ALA 40 Ca 0.04 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.23 1yl4 h ALA 40 Cb 0.09 0.85 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 1yl4 h ALA 40 CO -0.21 -0.93 0.37 0.28 0.00 0.00 0.00 179.25 178.76 1yl4 n VAL 41 N -4.61 -0.37 0.36 0.00 0.31 0.26 0.27 118.33 114.55 1yl4 n VAL 41 Ca -0.05 1.84 -0.17 0.00 -0.01 0.00 0.00 64.34 65.95 1yl4 n VAL 41 Cb 0.28 -2.92 -0.09 0.00 -0.91 0.00 0.00 33.84 30.21 1yl4 n VAL 41 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1yl4 h GLN 42 N 0.00 -0.86 -0.74 5.55 1.08 0.18 0.39 115.11 120.71 1yl4 h GLN 42 Ca 0.70 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 58.05 1yl4 h GLN 42 Cb 1.78 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 29.30 1yl4 h GLN 42 CO -0.72 -0.55 -0.52 -0.07 -0.95 0.00 0.00 178.83 176.02 1yl4 h LEU 43 N -0.99 -1.83 -0.31 1.46 3.38 0.51 0.20 115.31 117.73 1yl4 h LEU 43 Ca -0.09 0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1yl4 h LEU 43 Cb 0.71 0.81 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 1yl4 h LEU 43 CO 0.15 -0.31 -0.10 0.00 0.09 0.00 0.00 178.44 178.27 1yl4 h ALA 44 N 0.50 0.18 -0.81 1.53 0.00 -1.15 -1.36 119.26 118.15 1yl4 h ALA 44 Ca 0.17 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1yl4 h ALA 44 Cb 0.52 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1yl4 h ALA 44 CO -0.79 -0.48 -0.50 0.37 0.00 0.00 0.00 179.25 177.84 1yl4 h GLN 45 N -0.03 -0.03 -0.25 0.00 -0.00 0.16 -0.47 115.11 114.50 1yl4 h GLN 45 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.87 1yl4 h GLN 45 Cb 0.26 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.67 1yl4 h GLN 45 CO -0.34 -0.02 -0.28 0.93 0.00 0.00 0.00 178.83 179.13 1yl4 h GLU 46 N -0.03 -0.27 0.00 1.69 5.08 -0.12 -3.45 114.58 117.48 1yl4 h GLU 46 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1yl4 h GLU 46 Cb 0.36 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1yl4 h GLU 46 CO -0.78 -0.18 0.00 0.41 -1.00 0.00 0.00 179.01 177.46 1yl4 n GLY 47 N -1.39 0.00 2.84 -3.84 0.00 -0.18 -5.08 105.19 97.53 1yl4 n GLY 47 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1yl4 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yl4 n LYS 48 N 0.00 2.93 0.00 1.61 4.01 -0.98 -4.99 118.16 120.75 1yl4 n LYS 48 Ca 0.00 -3.72 0.00 0.00 -0.51 0.00 0.00 58.31 54.08 1yl4 n LYS 48 Cb 0.00 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 1yl4 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1yl4 n ALA 49 N -0.52 0.00 0.00 7.82 0.00 -1.26 -1.05 120.51 125.50 1yl4 n ALA 49 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1yl4 n ALA 49 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1yl4 n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yl4 n GLU 50 N 0.00 0.00 -0.16 0.00 2.13 -1.26 -0.83 120.64 120.52 1yl4 n GLU 50 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1yl4 n GLU 50 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1yl4 n GLU 50 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1yl4 h GLU 51 N 0.00 0.67 -0.33 5.31 4.11 -1.98 0.17 114.58 122.53 1yl4 h GLU 51 Ca 0.00 -0.08 0.06 0.00 0.07 0.00 0.00 59.36 59.41 1yl4 h GLU 51 Cb 0.00 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1yl4 h GLU 51 CO 0.00 0.54 -0.02 0.00 0.07 0.00 0.00 179.01 179.60 1yl4 h ALA 52 N 1.09 0.27 0.29 1.06 0.00 0.04 -0.43 119.26 121.59 1yl4 h ALA 52 Ca 0.17 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yl4 h ALA 52 Cb 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yl4 h ALA 52 CO -0.02 -0.42 -0.43 -0.07 0.00 0.00 0.00 179.25 178.31 1yl4 h LEU 53 N 0.07 -1.22 -0.50 0.00 3.38 -0.51 0.24 115.31 116.78 1yl4 h LEU 53 Ca 0.16 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1yl4 h LEU 53 Cb 0.22 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 1yl4 h LEU 53 CO -0.29 -0.54 -0.13 0.29 0.09 0.00 0.00 178.44 177.86 1yl4 n LYS 54 N -5.49 -0.05 0.37 1.13 5.02 0.01 0.49 118.16 119.63 1yl4 n LYS 54 Ca -0.09 0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 1yl4 n LYS 54 Cb 0.40 -1.15 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1yl4 n LYS 54 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1yl4 h ILE 55 N 0.00 0.10 -0.11 -0.18 2.04 0.77 -0.53 117.51 119.60 1yl4 h ILE 55 Ca 0.23 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.11 1yl4 h ILE 55 Cb 0.35 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1yl4 h ILE 55 CO -0.51 0.00 -0.03 0.23 0.00 0.00 0.00 178.15 177.84 1yl4 n MET 56 N -5.57 -0.01 0.00 2.37 2.81 1.84 -0.25 117.12 118.31 1yl4 n MET 56 Ca -0.13 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1yl4 n MET 56 Cb 0.46 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 1yl4 n MET 56 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1yl4 n ARG 57 N -4.19 0.00 -0.29 0.03 1.74 0.15 -0.69 116.66 113.42 1yl4 n ARG 57 Ca 0.02 0.11 0.27 0.00 -0.77 0.00 0.00 57.85 57.48 1yl4 n ARG 57 Cb 0.06 -1.01 0.47 0.00 -1.02 0.00 0.00 32.46 30.96 1yl4 n ARG 57 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1yl4 n LYS 58 N -0.84 -0.04 0.00 5.56 5.02 0.66 0.31 118.16 128.84 1yl4 n LYS 58 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1yl4 n LYS 58 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1yl4 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yl4 n ALA 59 N -2.50 -0.07 -0.11 7.82 0.00 0.07 -1.14 120.51 124.58 1yl4 n ALA 59 Ca 0.29 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1yl4 n ALA 59 Cb 1.06 0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.60 1yl4 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yl4 n GLU 60 N -0.90 -0.04 0.00 0.00 4.07 0.94 0.30 120.64 125.01 1yl4 n GLU 60 Ca 0.00 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1yl4 n GLU 60 Cb 0.00 -0.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 1yl4 n GLU 60 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1yl4 n SER 61 N -4.46 0.00 -0.35 4.31 7.64 -0.30 -1.46 113.62 119.00 1yl4 n SER 61 Ca 0.04 0.79 -0.06 0.00 1.01 0.00 0.00 58.87 60.65 1yl4 n SER 61 Cb 0.14 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1yl4 n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yl4 n LEU 62 N -1.63 -0.78 -0.08 -3.43 4.77 0.88 -0.65 117.00 116.08 1yl4 n LEU 62 Ca 0.00 1.50 -0.14 0.00 -0.03 0.00 0.00 56.01 57.34 1yl4 n LEU 62 Cb 0.00 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1yl4 n LEU 62 CO 0.00 -1.27 0.50 0.40 -1.33 0.00 0.00 177.39 175.69 1yl4 h ILE 63 N 0.00 0.00 -0.10 -0.08 2.04 -0.93 0.60 117.51 119.04 1yl4 h ILE 63 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1yl4 h ILE 63 Cb 0.41 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1yl4 h ILE 63 CO -0.82 0.00 -0.00 0.44 0.00 0.00 0.00 178.15 177.77 1yl4 h ASP 64 N -0.46 0.12 0.01 1.72 3.32 0.27 -0.24 116.42 121.16 1yl4 h ASP 64 Ca 0.05 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1yl4 h ASP 64 Cb 0.61 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1yl4 h ASP 64 CO -0.52 0.15 -0.34 0.11 -1.72 0.00 0.00 179.24 176.93 1yl4 h LYS 65 N 0.14 -0.41 -0.66 3.56 1.79 0.23 0.38 116.57 121.60 1yl4 h LYS 65 Ca 0.03 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 1yl4 h LYS 65 Cb 0.10 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 30.72 1yl4 h LYS 65 CO 0.00 -0.27 -0.18 0.00 -1.08 0.00 0.00 179.45 177.92 1yl4 h ALA 66 N -0.83 0.40 -0.60 3.86 0.00 -0.22 1.21 119.26 123.07 1yl4 h ALA 66 Ca 0.01 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1yl4 h ALA 66 Cb 0.46 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1yl4 h ALA 66 CO -0.22 -0.44 -0.25 0.00 0.00 0.00 0.00 179.25 178.34 1yl4 n ALA 67 N -3.12 -0.11 -0.47 0.00 0.00 0.11 -2.13 120.51 114.79 1yl4 n ALA 67 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1yl4 n ALA 67 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1yl4 n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yl4 n LYS 68 N -4.87 0.00 0.00 0.00 4.76 0.42 -4.54 118.16 113.93 1yl4 n LYS 68 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1yl4 n LYS 68 Cb 0.23 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1yl4 n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yl4 n GLY 69 N 0.00 -0.28 0.73 0.72 0.00 -0.90 -4.83 105.19 100.62 1yl4 n GLY 69 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1yl4 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yl4 n SER 70 N 0.00 0.75 0.00 1.61 3.41 -1.26 -4.91 113.62 113.21 1yl4 n SER 70 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1yl4 n SER 70 Cb 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1yl4 n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1yl4 n THR 71 N -0.15 0.00 -1.98 6.66 -1.04 -1.26 -4.92 114.28 111.60 1yl4 n THR 71 Ca 0.05 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 1yl4 n THR 71 Cb 0.82 -0.11 0.09 0.00 -1.82 0.00 0.00 70.33 69.31 1yl4 n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1yl4 s LEU 72 N -0.64 2.59 0.00 -4.42 0.20 -1.24 -4.98 118.68 110.18 1yl4 s LEU 72 Ca 0.00 0.67 0.00 0.00 0.69 0.00 0.00 54.13 55.49 1yl4 s LEU 72 Cb 0.00 -3.17 0.00 0.00 -0.43 0.00 0.00 46.19 42.59 1yl4 s LEU 72 CO 0.00 -1.89 0.00 1.57 -0.29 0.00 0.00 176.35 175.74 1yl4 n HIS 73 N -3.25 0.00 0.00 5.38 -0.00 -1.26 -4.24 115.22 111.85 1yl4 n HIS 73 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1yl4 n HIS 73 Cb 0.61 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 1yl4 n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1yl4 n LYS 74 N 0.00 0.00 -0.08 1.57 4.76 -1.26 0.20 118.16 123.35 1yl4 n LYS 74 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1yl4 n LYS 74 Cb 0.00 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.24 1yl4 n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1yl4 n ASN 75 N 0.00 0.99 0.00 4.39 3.02 -1.26 -4.22 115.26 118.19 1yl4 n ASN 75 Ca 0.00 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1yl4 n ASN 75 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1yl4 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yl4 n ALA 76 N -0.08 0.00 -0.59 5.41 0.00 0.53 -0.87 120.51 124.91 1yl4 n ALA 76 Ca 0.04 0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.96 1yl4 n ALA 76 Cb 0.20 0.02 0.80 0.00 0.00 0.00 0.00 19.45 20.48 1yl4 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl4 h ALA 77 N -2.17 3.64 -1.26 0.00 0.00 -1.59 -1.04 119.26 116.85 1yl4 h ALA 77 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yl4 h ALA 77 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yl4 h ALA 77 CO 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 179.25 177.11 1yl4 n ALA 78 N -2.88 -0.11 -0.05 0.00 0.00 -0.75 -0.61 120.51 116.12 1yl4 n ALA 78 Ca 0.39 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.87 1yl4 n ALA 78 Cb 1.78 0.25 0.40 0.00 0.00 0.00 0.00 19.45 21.89 1yl4 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl4 h ARG 79 N 0.00 0.61 -0.76 0.00 3.08 0.18 0.56 114.38 118.04 1yl4 h ARG 79 Ca 0.00 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1yl4 h ARG 79 Cb 0.00 -0.14 -0.11 0.00 0.08 0.00 0.00 29.97 29.80 1yl4 h ARG 79 CO 0.00 0.40 -0.51 0.00 -1.07 0.00 0.00 179.97 178.79 1yl4 h ARG 80 N 0.62 -0.14 0.15 0.04 2.47 0.08 0.11 114.38 117.71 1yl4 h ARG 80 Ca 0.19 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1yl4 h ARG 80 Cb 0.01 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1yl4 h ARG 80 CO -0.05 -0.10 -0.23 0.87 0.56 0.00 0.00 179.97 181.03 1yl4 h LYS 81 N -0.15 -0.38 0.00 0.04 1.57 0.60 -0.81 116.57 117.43 1yl4 h LYS 81 Ca 0.17 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1yl4 h LYS 81 Cb 0.52 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1yl4 h LYS 81 CO -0.80 -0.26 0.00 -1.13 -0.57 0.00 0.00 179.45 176.69 1yl4 n SER 82 N -3.72 0.00 0.42 0.86 3.41 0.22 0.19 113.62 115.00 1yl4 n SER 82 Ca -0.05 0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.47 1yl4 n SER 82 Cb 0.19 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1yl4 n SER 82 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1yl4 h ARG 83 N 0.00 -1.10 -0.52 4.33 3.08 -1.07 -1.24 114.38 117.87 1yl4 h ARG 83 Ca 0.00 0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1yl4 h ARG 83 Cb 0.00 0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1yl4 h ARG 83 CO 0.00 -0.74 -0.30 -0.11 -1.07 0.00 0.00 179.97 177.75 1yl4 n LEU 84 N -5.32 -0.55 0.07 3.04 -0.00 0.51 0.98 117.00 115.73 1yl4 n LEU 84 Ca -0.14 0.93 -0.13 0.00 -0.00 0.00 0.00 56.01 56.67 1yl4 n LEU 84 Cb 0.47 -0.12 -0.09 0.00 -0.00 0.00 0.00 43.42 43.68 1yl4 n LEU 84 CO 0.33 -0.75 0.59 0.00 -0.00 0.00 0.00 177.39 177.56 1yl4 h MET 85 N 0.00 -0.19 -0.66 1.96 -0.00 -1.09 -0.47 114.93 114.48 1yl4 h MET 85 Ca 0.08 0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.86 1yl4 h MET 85 Cb 0.21 0.04 -0.08 0.00 -0.00 0.00 0.00 31.60 31.77 1yl4 h MET 85 CO -0.49 0.18 -0.39 2.89 -0.00 0.00 0.00 176.91 179.11 1yl4 n ARG 86 N -4.99 -0.29 -0.08 -0.10 1.85 0.27 0.44 116.66 113.75 1yl4 n ARG 86 Ca -0.09 1.13 -0.10 0.00 -1.00 0.00 0.00 57.85 57.79 1yl4 n ARG 86 Cb 0.24 -1.66 -0.04 0.00 -1.05 0.00 0.00 32.46 29.95 1yl4 n ARG 86 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1yl4 h LYS 87 N 0.00 0.39 -0.07 2.89 1.57 -0.98 -0.85 116.57 119.52 1yl4 h LYS 87 Ca 0.11 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1yl4 h LYS 87 Cb 0.27 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1yl4 h LYS 87 CO -0.62 0.46 -0.50 0.28 -0.57 0.00 0.00 179.45 178.50 1yl4 h VAL 88 N 0.25 0.00 -0.24 0.50 2.07 0.17 0.19 116.25 119.19 1yl4 h VAL 88 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1yl4 h VAL 88 Cb 0.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1yl4 h VAL 88 CO -0.00 0.00 0.10 -0.09 0.02 0.00 0.00 177.57 177.59 1yl4 h ARG 89 N -0.58 0.21 -0.49 1.57 2.43 -0.95 -0.79 114.38 115.79 1yl4 h ARG 89 Ca 0.02 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1yl4 h ARG 89 Cb 0.65 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1yl4 h ARG 89 CO -0.37 0.14 -0.30 0.37 -1.51 0.00 0.00 179.97 178.30 1yl4 h GLN 90 N 0.22 -0.01 -0.69 0.20 5.75 -0.58 0.34 115.11 120.34 1yl4 h GLN 90 Ca 0.10 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1yl4 h GLN 90 Cb 0.06 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.52 1yl4 h GLN 90 CO -0.09 -0.00 -0.41 1.28 -2.65 0.00 0.00 178.83 176.95 1yl4 n LEU 91 N -4.13 -0.73 -0.22 -2.39 4.77 0.00 0.20 117.00 114.50 1yl4 n LEU 91 Ca 0.01 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 1yl4 n LEU 91 Cb 0.13 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1yl4 n LEU 91 CO -0.08 -1.10 0.00 0.18 -1.33 0.00 0.00 177.39 175.06 1yl4 n LEU 92 N -4.62 0.00 -3.54 2.23 4.77 0.12 -3.53 117.00 112.43 1yl4 n LEU 92 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1yl4 n LEU 92 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1yl4 n LEU 92 CO -0.11 0.00 0.14 -0.62 -1.33 0.00 0.00 177.39 175.46 1yl4 n GLU 93 N -0.05 2.56 -0.19 3.23 1.02 0.53 -4.12 120.64 123.62 1yl4 n GLU 93 Ca 0.00 -4.64 0.00 0.00 -0.02 0.00 0.00 57.16 52.50 1yl4 n GLU 93 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 1yl4 n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yl4 n ALA 94 N 1.06 1.39 0.00 0.62 0.00 -1.23 -5.00 120.51 117.35 1yl4 n ALA 94 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1yl4 n ALA 94 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1yl4 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yl4 n ALA 95 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.14 120.51 114.11 1yl4 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yl4 n ALA 95 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1yl4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yl4 n GLY 96 N 0.00 0.16 1.04 0.00 0.00 -1.26 -5.16 105.19 99.98 1yl4 n GLY 96 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1yl4 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yl4 n ALA 97 N -1.12 -2.57 -0.86 4.61 0.00 -1.26 -4.74 120.51 114.56 1yl4 n ALA 97 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1yl4 n ALA 97 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 1yl4 n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1yl4 n PRO 98 N 0.47 0.01 -0.29 0.00 -0.04 -1.26 -4.78 135.00 129.12 1yl4 n PRO 98 Ca 0.00 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1yl4 n PRO 98 Cb 0.00 -2.00 0.04 0.00 -0.04 0.00 0.00 33.50 31.51 1yl4 n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yl4 n LEU 99 N 7.98 -0.45 -2.53 1.53 4.77 -1.26 -0.19 117.00 126.84 1yl4 n LEU 99 Ca 0.25 1.31 -0.29 0.00 -0.03 0.00 0.00 56.01 57.25 1yl4 n LEU 99 Cb 0.37 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1yl4 n LEU 99 CO 0.72 -1.19 0.41 -0.38 -1.33 0.00 0.00 177.39 175.62 1yl4 n ILE 100 N -5.13 2.58 0.00 -0.08 5.41 -1.26 -4.87 119.36 116.00 1yl4 n ILE 100 Ca 0.08 -4.80 0.00 0.00 1.00 0.00 0.00 62.75 59.04 1yl4 n ILE 100 Cb 0.31 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1yl4 n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yl4 n GLY 101 N -0.50 0.00 0.00 7.39 0.00 0.73 -4.46 105.19 108.35 1yl4 n GLY 101 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1yl4 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yl4 n GLY 102 N 0.00 0.00 0.90 -0.02 0.00 -1.26 -2.23 105.19 102.58 1yl4 n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yl4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yl4 n GLY 103 N 0.00 0.00 2.79 -0.02 0.00 -1.26 -3.55 105.19 103.14 1yl4 n GLY 103 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1yl4 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yl4 s LEU 104 N 0.00 -0.14 -0.79 0.99 1.43 -0.95 -4.98 118.68 114.24 1yl4 s LEU 104 Ca 0.00 -1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 51.27 1yl4 s LEU 104 Cb 0.00 0.66 -0.18 0.00 0.03 0.00 0.00 46.19 46.70 1yl4 s LEU 104 CO 0.00 -0.24 2.42 -0.24 0.23 0.00 0.00 176.35 178.52 1yl4 n SER 105 N 4.16 0.97 0.00 2.29 2.88 -1.23 -4.80 113.62 117.90 1yl4 n SER 105 Ca 0.12 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1yl4 n SER 105 Cb 0.46 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1yl4 n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81