#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylx s PHE 3 N 0.00 3.76 -0.01 -1.84 0.08 -1.26 -4.35 117.98 114.36 1ylx s PHE 3 Ca 0.00 1.81 -0.12 0.00 0.12 0.00 0.00 56.93 58.73 1ylx s PHE 3 Cb 0.00 -2.93 0.02 0.00 -0.57 0.00 0.00 43.02 39.54 1ylx s PHE 3 CO 0.00 0.27 0.26 0.00 -0.10 0.00 0.00 175.22 175.65 1ylx s ALA 4 N -1.51 -0.64 0.58 5.36 0.00 -0.29 -4.90 121.76 120.35 1ylx s ALA 4 Ca 0.48 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 1ylx s ALA 4 Cb -0.20 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 1ylx s ALA 4 CO 0.26 -0.24 0.97 -2.30 0.00 0.00 0.00 175.76 174.45 1ylx n PRO 5 N 1.34 0.97 -0.25 0.00 -0.02 -1.26 -0.36 135.00 135.43 1ylx n PRO 5 Ca -0.22 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.67 1ylx n PRO 5 Cb 0.56 -2.16 0.16 0.00 -0.02 0.00 0.00 33.50 32.04 1ylx n PRO 5 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ylx h ARG 6 N 0.64 0.47 -0.91 -0.52 2.43 -1.93 -1.29 114.38 113.28 1ylx h ARG 6 Ca -0.48 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1ylx h ARG 6 Cb 1.36 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 1ylx h ARG 6 CO 0.52 0.31 0.58 0.66 -1.51 0.00 0.00 179.97 180.53 1ylx h SER 7 N 0.48 0.76 -0.30 -3.80 4.64 -1.95 0.19 113.55 113.58 1ylx h SER 7 Ca 0.38 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 1ylx h SER 7 Cb 0.51 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1ylx h SER 7 CO -0.35 0.41 -0.03 0.58 -0.87 0.00 0.00 176.83 176.57 1ylx h VAL 8 N 0.82 1.27 -0.27 0.95 2.07 -1.58 -1.67 116.25 117.83 1ylx h VAL 8 Ca 0.44 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1ylx h VAL 8 Cb 0.56 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ylx h VAL 8 CO -0.21 0.33 0.12 0.58 0.02 0.00 0.00 177.57 178.41 1ylx h VAL 9 N 0.32 1.16 -0.36 2.57 2.07 -0.98 -2.32 116.25 118.72 1ylx h VAL 9 Ca 0.08 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1ylx h VAL 9 Cb 0.49 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1ylx h VAL 9 CO 0.02 0.16 0.19 0.40 0.02 0.00 0.00 177.57 178.37 1ylx h ILE 10 N 0.30 1.01 -0.36 4.57 1.08 -0.96 -2.05 117.51 121.10 1ylx h ILE 10 Ca 0.09 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1ylx h ILE 10 Cb 0.15 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1ylx h ILE 10 CO -0.01 0.07 0.24 -0.33 -0.69 0.00 0.00 178.15 177.43 1ylx h GLU 11 N 0.39 0.46 -0.28 2.37 4.39 -1.16 0.42 114.58 121.18 1ylx h GLU 11 Ca 0.15 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1ylx h GLU 11 Cb 0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1ylx h GLU 11 CO -0.08 0.31 -0.30 0.93 -1.16 0.00 0.00 179.01 178.70 1ylx h GLU 12 N 0.48 0.57 -0.17 2.33 5.08 -0.82 -0.64 114.58 121.42 1ylx h GLU 12 Ca 0.13 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1ylx h GLU 12 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ylx h GLU 12 CO -0.03 0.81 -0.57 0.74 -1.00 0.00 0.00 179.01 178.95 1ylx h PHE 13 N 0.49 0.67 -0.31 4.33 0.04 -0.71 -2.95 116.94 118.50 1ylx h PHE 13 Ca 0.06 -0.24 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 1ylx h PHE 13 Cb 0.77 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 1ylx h PHE 13 CO 0.03 0.98 -0.09 0.82 -0.60 0.00 0.00 178.31 179.45 1ylx h ILE 14 N 0.40 1.22 -0.19 -0.55 2.04 -0.54 -2.58 117.51 117.30 1ylx h ILE 14 Ca 0.00 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1ylx h ILE 14 Cb 1.12 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1ylx h ILE 14 CO 0.11 0.31 0.03 0.44 0.00 0.00 0.00 178.15 179.04 1ylx h ASP 15 N 0.47 0.24 0.67 1.72 3.32 -0.95 -2.16 116.42 119.74 1ylx h ASP 15 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ylx h ASP 15 Cb 0.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ylx h ASP 15 CO 0.02 0.26 -0.46 0.41 -1.72 0.00 0.00 179.24 177.76 1ylx n THR 16 N -4.41 0.10 0.25 0.35 -1.04 -1.00 -4.44 114.28 104.09 1ylx n THR 16 Ca -0.00 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 1ylx n THR 16 Cb 0.15 0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.62 1ylx n THR 16 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ylx h LEU 17 N 0.00 -1.25 -0.50 -4.42 5.85 -1.08 -3.10 115.31 110.81 1ylx h LEU 17 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ylx h LEU 17 Cb 0.57 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1ylx h LEU 17 CO 0.00 -0.59 0.32 -0.08 -0.34 0.00 0.00 178.44 177.75 1ylx h GLU 18 N -0.88 0.66 -5.02 1.25 4.57 -1.78 -3.42 114.58 109.97 1ylx h GLU 18 Ca -0.05 -0.05 -0.46 0.00 -1.18 0.00 0.00 59.36 57.62 1ylx h GLU 18 Cb 0.77 -0.15 0.12 0.00 -0.16 0.00 0.00 28.75 29.33 1ylx h GLU 18 CO -0.07 0.46 1.07 -2.30 -1.18 0.00 0.00 179.01 176.99 1ylx n PRO 19 N -4.72 0.02 0.00 0.92 -0.02 -1.18 -4.58 135.00 125.45 1ylx n PRO 19 Ca 0.02 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1ylx n PRO 19 Cb 0.03 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 1ylx n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ylx n GLU 22 N 8.03 0.00 -0.07 -0.52 2.13 -1.26 -4.64 120.64 124.30 1ylx n GLU 22 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1ylx n GLU 22 Cb 0.43 -0.10 0.28 0.00 0.27 0.00 0.00 31.44 32.32 1ylx n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ylx h ALA 23 N 0.00 1.41 -0.37 4.31 0.00 -1.96 -3.04 119.26 119.60 1ylx h ALA 23 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ylx h ALA 23 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ylx h ALA 23 CO 0.00 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.35 1ylx n TYR 24 N -4.34 0.49 -3.61 0.00 4.01 -1.26 -4.98 117.16 107.46 1ylx n TYR 24 Ca 0.04 -0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.13 1ylx n TYR 24 Cb 0.17 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 1ylx n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ylx n GLY 25 N 0.81 -0.53 3.77 2.72 0.00 -1.15 -4.97 105.19 105.84 1ylx n GLY 25 Ca 0.14 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 1ylx n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ylx s LEU 26 N -7.24 4.43 -0.10 0.99 1.43 -1.26 -5.00 118.68 111.93 1ylx s LEU 26 Ca 0.55 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1ylx s LEU 26 Cb -0.24 -2.87 -0.25 0.00 0.03 0.00 0.00 46.19 42.86 1ylx s LEU 26 CO 0.74 0.14 0.44 -0.67 0.23 0.00 0.00 176.35 177.23 1ylx n ASP 27 N 2.55 1.69 -3.67 2.29 2.03 -1.26 -4.73 116.55 115.46 1ylx n ASP 27 Ca -0.08 0.26 -0.26 0.00 0.52 0.00 0.00 54.79 55.23 1ylx n ASP 27 Cb 0.51 -0.57 -0.17 0.00 -0.72 0.00 0.00 41.12 40.17 1ylx n ASP 27 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1ylx s GLN 28 N -2.57 0.29 0.00 -0.67 0.74 -1.26 -5.10 119.66 111.09 1ylx s GLN 28 Ca -0.17 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 1ylx s GLN 28 Cb 0.07 -1.81 -0.00 0.00 1.10 0.00 0.00 33.01 32.37 1ylx s GLN 28 CO 0.78 -0.62 0.01 0.08 -0.55 0.00 0.00 175.29 175.00 1ylx s VAL 29 N 2.03 0.04 0.26 1.34 1.01 -1.26 -1.29 120.40 122.54 1ylx s VAL 29 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1ylx s VAL 29 Cb -0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1ylx s VAL 29 CO -0.08 -0.19 0.20 -0.83 0.00 0.00 0.00 175.10 174.20 1ylx s GLY 30 N -0.55 1.86 0.15 4.51 0.00 -0.60 -4.98 107.32 107.71 1ylx s GLY 30 Ca -0.06 -1.87 -0.25 0.00 0.00 0.00 0.00 44.72 42.54 1ylx s GLY 30 CO -0.00 -1.44 0.78 -0.42 0.00 0.00 0.00 173.10 172.01 1ylx s ILE 31 N -3.82 4.41 -0.05 0.90 -1.09 -1.26 -1.33 121.20 118.95 1ylx s ILE 31 Ca 0.40 1.70 0.05 0.00 -2.23 0.00 0.00 60.65 60.57 1ylx s ILE 31 Cb 0.05 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1ylx s ILE 31 CO 0.19 0.50 -0.22 0.12 -1.23 0.00 0.00 174.94 174.31 1ylx s PHE 32 N -0.99 2.51 -0.00 3.97 5.36 0.10 -4.77 117.98 124.15 1ylx s PHE 32 Ca 0.36 -0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 55.83 1ylx s PHE 32 Cb -0.23 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 1ylx s PHE 32 CO 0.26 -0.07 0.02 -1.21 -1.46 0.00 0.00 175.22 172.76 1ylx s GLU 33 N -0.38 0.05 -0.03 10.12 2.02 -1.26 -0.90 118.70 128.33 1ylx s GLU 33 Ca 0.03 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 1ylx s GLU 33 Cb -0.12 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.15 1ylx s GLU 33 CO 0.02 -0.01 0.07 -1.21 0.02 0.00 0.00 175.26 174.15 1ylx s GLU 34 N -0.13 0.04 -0.40 1.61 2.02 -0.16 -4.98 118.70 116.69 1ylx s GLU 34 Ca -0.02 0.18 -0.18 0.00 0.02 0.00 0.00 54.97 54.97 1ylx s GLU 34 Cb -0.01 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.13 1ylx s GLU 34 CO -0.00 -0.09 0.50 -1.01 0.02 0.00 0.00 175.26 174.68 1ylx s HIS 35 N 0.59 3.15 0.32 1.61 3.76 -1.26 -0.56 115.29 122.90 1ylx s HIS 35 Ca -0.05 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1ylx s HIS 35 Cb -0.07 -3.00 0.07 0.00 1.11 0.00 0.00 32.58 30.69 1ylx s HIS 35 CO -0.02 -0.69 0.44 0.41 -0.85 0.00 0.00 174.74 174.03 1ylx n GLY 36 N 5.00 -0.28 3.83 -2.22 0.00 0.38 -4.98 105.19 106.91 1ylx n GLY 36 Ca -0.05 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1ylx n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylx s GLU 37 N -3.76 4.09 7.57 1.61 2.02 -1.26 -4.50 118.70 124.47 1ylx s GLU 37 Ca 0.27 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.34 1ylx s GLU 37 Cb -0.01 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1ylx s GLU 37 CO 0.18 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1ylx n GLY 38 N -0.95 2.92 1.41 -1.39 0.00 -1.26 -2.03 105.19 103.89 1ylx n GLY 38 Ca 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1ylx n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ylx n ASN 39 N 5.56 4.13 -4.75 1.61 0.23 -1.26 -4.97 115.26 115.82 1ylx n ASN 39 Ca 0.00 -2.31 -0.40 0.00 -0.53 0.00 0.00 54.58 51.34 1ylx n ASN 39 Cb 0.00 -0.52 -0.05 0.00 -2.08 0.00 0.00 39.78 37.12 1ylx n ASN 39 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1ylx s ARG 40 N -1.66 4.78 -0.06 -3.83 0.52 -0.86 -0.76 118.95 117.08 1ylx s ARG 40 Ca 0.45 1.54 -0.09 0.00 -0.52 0.00 0.00 55.73 57.12 1ylx s ARG 40 Cb 0.28 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.48 1ylx s ARG 40 CO 0.24 0.39 0.23 -0.47 0.02 0.00 0.00 175.30 175.71 1ylx s TYR 41 N -0.89 -0.19 -0.04 -0.53 5.04 -0.58 -0.47 117.35 119.69 1ylx s TYR 41 Ca 0.43 0.43 0.04 0.00 -2.44 0.00 0.00 57.07 55.53 1ylx s TYR 41 Cb -0.27 0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.11 1ylx s TYR 41 CO 0.33 -0.19 -0.16 0.71 -1.34 0.00 0.00 175.55 174.90 1ylx s TYR 42 N -0.38 1.61 -0.01 4.97 2.02 0.27 -0.04 117.35 125.79 1ylx s TYR 42 Ca -0.05 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1ylx s TYR 42 Cb -0.03 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1ylx s TYR 42 CO 0.01 -0.17 -0.08 0.08 -1.57 0.00 0.00 175.55 173.82 1ylx s VAL 43 N 0.11 0.67 0.00 0.71 1.01 -1.26 -0.99 120.40 120.65 1ylx s VAL 43 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ylx s VAL 43 Cb -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1ylx s VAL 43 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1ylx n GLY 44 N 3.03 1.63 3.16 4.51 0.00 -0.07 -4.50 105.19 112.94 1ylx n GLY 44 Ca -0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 1ylx n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ylx s TYR 45 N -0.10 1.10 -0.13 1.61 2.02 -0.05 -0.72 117.35 121.08 1ylx s TYR 45 Ca 0.00 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1ylx s TYR 45 Cb 0.00 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1ylx s TYR 45 CO 0.00 0.03 -0.19 0.99 -1.57 0.00 0.00 175.55 174.81 1ylx s THR 46 N -1.59 1.80 -0.13 -0.71 2.01 -0.45 -0.91 115.64 115.65 1ylx s THR 46 Ca -0.01 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1ylx s THR 46 Cb -0.08 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1ylx s THR 46 CO 0.02 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 1ylx s ILE 47 N 0.96 4.48 -0.54 1.82 1.01 0.14 -1.56 121.20 127.51 1ylx s ILE 47 Ca -0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 1ylx s ILE 47 Cb -0.15 -2.95 0.14 0.00 0.01 0.00 0.00 42.46 39.51 1ylx s ILE 47 CO -0.03 0.54 0.46 0.21 0.00 0.00 0.00 174.94 176.13 1ylx s ASN 48 N -0.31 6.01 -0.59 3.58 3.84 -0.41 -0.88 114.94 126.19 1ylx s ASN 48 Ca 0.07 -1.97 -0.13 0.00 0.21 0.00 0.00 52.86 51.04 1ylx s ASN 48 Cb -0.12 -2.11 0.15 0.00 -0.55 0.00 0.00 41.25 38.61 1ylx s ASN 48 CO 0.02 -0.74 0.51 -0.75 -2.79 0.00 0.00 177.10 173.34 1ylx s LYS 49 N 1.29 2.94 -1.17 0.43 2.20 0.38 -4.43 119.74 121.38 1ylx s LYS 49 Ca 0.06 -1.95 -0.14 0.00 -0.36 0.00 0.00 55.97 53.58 1ylx s LYS 49 Cb -0.26 -4.18 -0.02 0.00 -1.51 0.00 0.00 37.83 31.86 1ylx s LYS 49 CO -0.00 -1.27 0.76 -3.47 -0.36 0.00 0.00 175.35 171.01 1ylx n ASP 50 N 4.75 -4.47 0.00 1.43 2.03 -1.26 -1.49 116.55 117.54 1ylx n ASP 50 Ca -0.05 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.32 1ylx n ASP 50 Cb 0.42 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 1ylx n ASP 50 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ylx n ASP 51 N -2.83 0.00 -1.93 1.67 8.00 -1.26 -5.21 116.55 114.98 1ylx n ASP 51 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1ylx n ASP 51 Cb 0.62 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1ylx n ASP 51 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ylx n GLU 52 N -1.89 1.91 0.00 -1.24 2.13 -0.55 -5.06 120.64 115.93 1ylx n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ylx n GLU 52 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ylx n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ylx n ILE 54 N 0.00 0.00 -5.09 6.31 5.41 -0.06 -0.47 119.36 125.46 1ylx n ILE 54 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1ylx n ILE 54 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1ylx n ILE 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ylx s THR 55 N 0.00 2.57 -0.03 1.39 2.01 -0.82 0.26 115.64 121.02 1ylx s THR 55 Ca 0.00 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1ylx s THR 55 Cb 0.00 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1ylx s THR 55 CO 0.00 0.58 -0.16 0.27 -0.69 0.00 0.00 174.62 174.62 1ylx s ILE 56 N -0.61 1.30 0.00 1.82 -4.36 -0.09 0.36 121.20 119.62 1ylx s ILE 56 Ca 0.09 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1ylx s ILE 56 Cb -0.11 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.49 1ylx s ILE 56 CO 0.00 0.38 0.00 0.00 0.24 0.00 0.00 174.94 175.56 1ylx n HIS 57 N 2.99 0.00 -4.63 1.37 1.44 -0.47 -0.87 115.22 115.04 1ylx n HIS 57 Ca -0.17 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.30 1ylx n HIS 57 Cb 0.54 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.48 1ylx n HIS 57 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1ylx s PRO 59 N 1.54 1.67 0.23 -1.40 0.04 -1.26 -0.94 135.00 134.88 1ylx s PRO 59 Ca 0.00 -0.45 0.08 0.00 0.04 0.00 0.00 61.00 60.67 1ylx s PRO 59 Cb 0.00 -1.40 -0.05 0.00 0.04 0.00 0.00 34.50 33.09 1ylx s PRO 59 CO 0.00 0.08 -0.14 -0.06 0.04 0.00 0.00 177.00 176.92 1ylx s PHE 60 N 0.49 1.81 -0.09 0.56 0.08 0.94 -0.65 117.98 121.12 1ylx s PHE 60 Ca -0.12 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.39 1ylx s PHE 60 Cb -0.14 -0.87 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1ylx s PHE 60 CO 0.03 0.39 -0.18 0.08 -0.10 0.00 0.00 175.22 175.44 1ylx s VAL 61 N -2.93 2.65 -0.21 -0.44 1.01 0.38 -1.53 120.40 119.32 1ylx s VAL 61 Ca 0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1ylx s VAL 61 Cb -0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1ylx s VAL 61 CO 0.09 0.55 0.01 -0.75 0.00 0.00 0.00 175.10 175.00 1ylx s LYS 62 N 0.03 3.61 0.83 2.72 2.20 0.06 -1.41 119.74 127.77 1ylx s LYS 62 Ca -0.07 -0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1ylx s LYS 62 Cb -0.15 -3.12 0.16 0.00 -1.51 0.00 0.00 37.83 33.21 1ylx s LYS 62 CO 0.05 -0.04 1.14 0.54 -0.36 0.00 0.00 175.35 176.68 1ylx s ASN 63 N 1.15 3.81 0.27 1.43 2.20 -0.86 -4.75 114.94 118.19 1ylx s ASN 63 Ca 0.03 -0.09 0.20 0.00 -0.94 0.00 0.00 52.86 52.06 1ylx s ASN 63 Cb -0.14 -0.14 1.00 0.00 -2.00 0.00 0.00 41.25 39.96 1ylx s ASN 63 CO 0.02 -2.24 1.60 -0.62 -2.94 0.00 0.00 177.10 172.91 1ylx n GLU 64 N -3.24 0.13 -0.03 3.55 1.02 -1.26 -1.32 120.64 119.49 1ylx n GLU 64 Ca 0.15 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.98 1ylx n GLU 64 Cb 0.60 -1.88 0.41 0.00 -0.02 0.00 0.00 31.44 30.55 1ylx n GLU 64 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ylx n ARG 65 N -2.16 1.82 -0.90 3.49 1.74 -1.26 -4.92 116.66 114.48 1ylx n ARG 65 Ca -0.00 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 1ylx n ARG 65 Cb 0.08 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1ylx n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ylx n GLY 66 N 1.21 0.86 3.87 -0.13 0.00 -0.43 -5.03 105.19 105.54 1ylx n GLY 66 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1ylx n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylx s GLU 67 N -0.10 3.53 0.04 1.61 2.02 -1.26 -4.23 118.70 120.31 1ylx s GLU 67 Ca 0.00 0.71 0.09 0.00 0.02 0.00 0.00 54.97 55.79 1ylx s GLU 67 Cb 0.00 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 1ylx s GLU 67 CO 0.00 -0.60 -0.25 -0.51 0.02 0.00 0.00 175.26 173.92 1ylx s LEU 68 N -5.19 2.16 -0.02 1.80 1.43 0.51 -2.03 118.68 117.35 1ylx s LEU 68 Ca 0.55 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1ylx s LEU 68 Cb -0.11 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1ylx s LEU 68 CO 0.54 0.24 -0.04 0.00 0.23 0.00 0.00 176.35 177.32 1ylx s ALA 69 N -0.79 0.52 0.09 4.21 0.00 -0.50 -1.14 121.76 124.16 1ylx s ALA 69 Ca 0.11 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1ylx s ALA 69 Cb -0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 1ylx s ALA 69 CO 0.02 0.04 1.52 -1.17 0.00 0.00 0.00 175.76 176.18 1ylx s LEU 70 N 0.44 4.36 -0.01 0.00 2.96 -1.26 -0.47 118.68 124.69 1ylx s LEU 70 Ca -0.05 2.42 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1ylx s LEU 70 Cb -0.09 -3.58 -0.25 0.00 0.50 0.00 0.00 46.19 42.77 1ylx s LEU 70 CO -0.00 -0.78 0.79 -0.08 -1.32 0.00 0.00 176.35 174.95 1ylx h GLU 71 N 7.47 0.15 -2.01 1.98 4.81 -1.20 -3.46 114.58 122.32 1ylx h GLU 71 Ca -0.42 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.51 1ylx h GLU 71 Cb 1.20 0.09 -0.20 0.00 0.63 0.00 0.00 28.75 30.47 1ylx h GLU 71 CO 0.91 0.93 0.16 0.21 -0.73 0.00 0.00 179.01 180.48 1ylx s LYS 72 N -2.61 0.95 -1.36 1.92 2.20 -1.25 -5.07 119.74 114.52 1ylx s LYS 72 Ca -0.08 0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1ylx s LYS 72 Cb 0.07 0.45 0.06 0.00 -1.51 0.00 0.00 37.83 36.91 1ylx s LYS 72 CO 0.83 -0.22 1.92 0.94 -0.36 0.00 0.00 175.35 178.47 1ylx n GLN 73 N 1.78 3.08 -3.70 4.03 -0.06 -1.26 -4.58 117.38 116.67 1ylx n GLN 73 Ca -0.17 -3.04 -0.13 0.00 -2.00 0.00 0.00 57.00 51.66 1ylx n GLN 73 Cb 0.56 -3.39 -0.09 0.00 -4.06 0.00 0.00 30.24 23.26 1ylx n GLN 73 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1ylx s GLU 74 N 3.66 0.58 0.02 3.69 2.12 -1.26 -4.63 118.70 122.88 1ylx s GLU 74 Ca 0.51 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.59 1ylx s GLU 74 Cb 0.08 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 1ylx s GLU 74 CO 0.01 -0.08 -0.02 -1.58 -0.54 0.00 0.00 175.26 173.06 1ylx s TRP 75 N 0.40 3.01 -0.04 5.30 0.52 0.12 -4.30 118.94 123.96 1ylx s TRP 75 Ca -0.01 0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.19 1ylx s TRP 75 Cb -0.04 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1ylx s TRP 75 CO -0.01 0.45 -0.19 0.99 0.02 0.00 0.00 176.95 178.20 1ylx s THR 76 N -1.11 2.62 -0.20 2.01 2.01 -0.12 -3.41 115.64 117.44 1ylx s THR 76 Ca 0.20 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 1ylx s THR 76 Cb -0.11 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1ylx s THR 76 CO 0.11 0.58 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 1ylx s VAL 77 N -0.61 3.23 -0.39 3.82 1.01 0.74 -1.37 120.40 126.83 1ylx s VAL 77 Ca 0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1ylx s VAL 77 Cb -0.11 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1ylx s VAL 77 CO 0.00 0.45 0.21 -0.60 0.00 0.00 0.00 175.10 175.17 1ylx s ARG 78 N 1.21 2.74 0.01 2.72 3.52 0.16 -1.22 118.95 128.08 1ylx s ARG 78 Ca 0.02 -1.21 0.03 0.00 -0.13 0.00 0.00 55.73 54.45 1ylx s ARG 78 Cb -0.14 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 1ylx s ARG 78 CO -0.02 -0.78 -0.10 0.21 -0.81 0.00 0.00 175.30 173.79 1ylx s LYS 79 N 1.50 0.79 -1.28 5.12 2.20 -0.17 -1.94 119.74 125.96 1ylx s LYS 79 Ca 0.02 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1ylx s LYS 79 Cb -0.20 -0.76 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 1ylx s LYS 79 CO 0.05 0.20 0.08 -0.25 -0.36 0.00 0.00 175.35 175.07 1ylx n ASP 80 N 2.53 -4.53 0.00 1.43 8.00 -1.26 -1.43 116.55 121.28 1ylx n ASP 80 Ca -0.15 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1ylx n ASP 80 Cb 0.56 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1ylx n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ylx n GLY 81 N -0.93 0.75 3.26 0.44 0.00 -1.26 -5.03 105.19 102.42 1ylx n GLY 81 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1ylx n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ylx s ARG 82 N -0.02 1.08 0.12 1.61 0.52 -0.52 -5.13 118.95 116.62 1ylx s ARG 82 Ca 0.00 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1ylx s ARG 82 Cb 0.00 -1.06 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 1ylx s ARG 82 CO 0.00 0.21 -0.05 -1.21 0.02 0.00 0.00 175.30 174.28 1ylx s GLU 83 N -2.56 2.31 -0.02 3.54 2.02 -1.26 -1.00 118.70 121.73 1ylx s GLU 83 Ca 0.10 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1ylx s GLU 83 Cb -0.06 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.81 1ylx s GLU 83 CO 0.04 0.50 -0.00 0.15 0.02 0.00 0.00 175.26 175.97 1ylx s LYS 84 N -2.47 0.18 0.00 1.61 1.02 -0.36 -4.97 119.74 114.75 1ylx s LYS 84 Ca 0.24 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1ylx s LYS 84 Cb -0.11 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1ylx s LYS 84 CO 0.16 -0.08 0.00 0.36 -0.92 0.00 0.00 175.35 174.88 1ylx n LYS 85 N 3.75 2.64 0.00 1.68 2.85 -1.26 -0.18 118.16 127.63 1ylx n LYS 85 Ca -0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 1ylx n LYS 85 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1ylx n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ylx n GLY 86 N 4.92 0.34 3.71 2.58 0.00 -1.25 -4.98 105.19 110.51 1ylx n GLY 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ylx n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ylx s PHE 87 N -2.00 3.63 -1.94 1.61 0.08 -1.22 -4.95 117.98 113.18 1ylx s PHE 87 Ca 0.00 1.60 0.19 0.00 0.12 0.00 0.00 56.93 58.84 1ylx s PHE 87 Cb 0.00 -3.07 0.37 0.00 -0.57 0.00 0.00 43.02 39.76 1ylx s PHE 87 CO 0.00 -0.02 1.30 0.72 -0.10 0.00 0.00 175.22 177.13 1ylx n HIS 88 N 4.01 0.47 -3.71 0.36 8.25 -1.26 0.15 115.22 123.49 1ylx n HIS 88 Ca 0.05 -0.29 -0.10 0.00 -0.26 0.00 0.00 57.72 57.12 1ylx n HIS 88 Cb 0.51 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 1ylx n HIS 88 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ylx s SER 89 N -1.25 -0.26 0.26 0.41 1.04 -1.26 -4.69 113.70 107.94 1ylx s SER 89 Ca 0.33 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 1ylx s SER 89 Cb 0.19 0.56 0.33 0.00 0.10 0.00 0.00 66.02 67.19 1ylx s SER 89 CO 0.26 -1.01 1.79 0.25 0.98 0.00 0.00 173.24 175.51 1ylx h LEU 90 N 2.23 0.84 -0.70 2.42 5.85 -1.99 -1.66 115.31 122.30 1ylx h LEU 90 Ca -0.30 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ylx h LEU 90 Cb 1.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1ylx h LEU 90 CO 0.39 0.83 0.44 1.56 -0.34 0.00 0.00 178.44 181.33 1ylx h GLN 91 N 0.86 0.94 -0.46 1.25 7.50 -2.02 -2.51 115.11 120.66 1ylx h GLN 91 Ca 0.18 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.21 1ylx h GLN 91 Cb 0.33 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 1ylx h GLN 91 CO 0.00 0.65 0.10 0.93 -1.50 0.00 0.00 178.83 179.00 1ylx h GLU 92 N 0.95 0.76 -1.35 1.46 5.08 -1.85 -2.01 114.58 117.62 1ylx h GLU 92 Ca 0.25 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ylx h GLU 92 Cb -0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1ylx h GLU 92 CO -0.05 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1ylx n ALA 93 N -2.38 1.49 0.00 3.43 0.00 -0.66 -2.70 120.51 119.69 1ylx n ALA 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ylx n ALA 93 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ylx n ALA 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ylx n GLU 95 N 0.79 0.00 0.04 0.00 -0.58 -0.76 -1.16 120.64 118.97 1ylx n GLU 95 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1ylx n GLU 95 Cb 0.05 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.88 1ylx n GLU 95 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ylx h GLU 96 N 0.00 0.55 -0.07 3.49 4.57 -1.80 0.11 114.58 121.43 1ylx h GLU 96 Ca 0.00 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1ylx h GLU 96 Cb 0.00 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ylx h GLU 96 CO 0.00 1.13 -0.05 0.28 -1.18 0.00 0.00 179.01 179.19 1ylx h VAL 97 N 0.34 1.35 0.08 0.32 2.07 -1.44 -3.35 116.25 115.63 1ylx h VAL 97 Ca -0.07 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ylx h VAL 97 Cb 1.47 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1ylx h VAL 97 CO 0.16 0.32 -0.04 0.40 0.02 0.00 0.00 177.57 178.43 1ylx h ILE 98 N -0.25 0.00 0.00 4.57 1.08 -1.84 -3.36 117.51 117.71 1ylx h ILE 98 Ca 0.01 -0.92 -0.43 0.00 -0.39 0.00 0.00 64.86 63.13 1ylx h ILE 98 Cb 0.53 0.00 0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1ylx h ILE 98 CO 0.01 0.00 2.79 1.41 -0.69 0.00 0.00 178.15 181.67 1ylx n HIS 99 N -4.83 1.55 -0.31 1.37 8.25 0.39 -5.07 115.22 116.56 1ylx n HIS 99 Ca -0.01 -2.19 0.00 0.00 -0.26 0.00 0.00 57.72 55.26 1ylx n HIS 99 Cb 0.04 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 29.31 1ylx n HIS 99 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43