#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw n ASP 3 N 1.54 0.17 -3.58 0.00 9.92 -1.26 -4.76 116.55 118.57 1ygw n ASP 3 Ca 0.16 -0.49 -0.29 0.00 -0.53 0.00 0.00 54.79 53.64 1ygw n ASP 3 Cb 0.03 0.43 -0.12 0.00 -0.64 0.00 0.00 41.12 40.82 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ygw s TYR 4 N -0.43 1.47 -0.51 1.24 2.02 -1.24 -4.75 117.35 115.15 1ygw s TYR 4 Ca 0.00 -2.18 -0.17 0.00 -0.37 0.00 0.00 57.07 54.35 1ygw s TYR 4 Cb 0.00 -1.42 0.08 0.00 -0.40 0.00 0.00 41.96 40.22 1ygw s TYR 4 CO 0.00 -0.79 0.53 0.99 -1.57 0.00 0.00 175.55 174.71 1ygw s THR 5 N 0.44 5.05 -1.51 -0.71 2.01 -1.23 -3.15 115.64 116.53 1ygw s THR 5 Ca 0.21 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 1ygw s THR 5 Cb -0.17 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 1ygw s THR 5 CO -0.04 -0.77 2.56 0.00 -0.69 0.00 0.00 174.62 175.67 1ygw n GLY 7 N 3.59 0.82 2.55 0.00 0.00 -1.26 -3.98 105.19 106.91 1ygw n GLY 7 Ca 0.64 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 1ygw n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 8 N 1.89 2.62 -2.19 1.61 3.41 -1.26 -5.07 113.62 114.63 1ygw n SER 8 Ca 0.00 -3.20 -0.10 0.00 -0.26 0.00 0.00 58.87 55.31 1ygw n SER 8 Cb 0.00 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 1ygw n SER 8 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 9 N -0.11 -0.48 -2.66 4.04 3.02 -1.26 -5.01 115.26 112.80 1ygw n ASN 9 Ca 0.24 -2.16 -0.03 0.00 -0.03 0.00 0.00 54.58 52.60 1ygw n ASN 9 Cb 0.67 1.04 0.11 0.00 -0.61 0.00 0.00 39.78 40.99 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.04 2.20 1.39 0.00 -0.85 -1.19 -4.50 117.35 114.45 1ygw s TYR 11 Ca 0.21 -2.21 -0.22 0.00 -0.52 0.00 0.00 57.07 54.33 1ygw s TYR 11 Cb 0.29 -2.02 0.36 0.00 0.38 0.00 0.00 41.96 40.97 1ygw s TYR 11 CO -0.20 -0.86 0.95 -1.54 -1.52 0.00 0.00 175.55 172.38 1ygw s SER 12 N 1.07 -0.80 0.49 -0.18 1.04 -1.26 -3.86 113.70 110.20 1ygw s SER 12 Ca 0.12 0.88 0.18 0.00 0.48 0.00 0.00 55.95 57.62 1ygw s SER 12 Cb -0.20 -1.26 0.99 0.00 0.10 0.00 0.00 66.02 65.65 1ygw s SER 12 CO -0.14 -5.21 1.50 0.77 0.98 0.00 0.00 173.24 171.14 1ygw h SER 13 N -3.31 0.00 0.91 7.02 4.64 -1.91 1.71 113.55 122.60 1ygw h SER 13 Ca -0.45 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.65 1ygw h SER 13 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ygw h SER 13 CO 0.30 0.00 -1.13 -1.28 -0.87 0.00 0.00 176.83 173.85 1ygw h SER 14 N 0.00 0.00 0.20 4.97 0.87 -1.95 -2.85 113.55 114.79 1ygw h SER 14 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1ygw h SER 14 Cb 0.79 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1ygw h SER 14 CO 0.00 1.00 -1.68 0.44 -0.53 0.00 0.00 176.83 176.05 1ygw h ASP 15 N 0.00 0.67 -0.43 6.23 5.19 0.22 -3.34 116.42 124.97 1ygw h ASP 15 Ca -0.06 -0.93 0.03 0.00 -0.62 0.00 0.00 57.03 55.44 1ygw h ASP 15 Cb 1.81 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 41.07 1ygw h ASP 15 CO 0.12 1.77 0.23 0.58 -3.12 0.00 0.00 179.24 178.82 1ygw h VAL 16 N 0.10 1.00 -0.81 -1.35 2.07 -0.97 -2.41 116.25 113.88 1ygw h VAL 16 Ca -0.32 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.19 1ygw h VAL 16 Cb 2.11 0.50 -0.15 0.00 -1.52 0.00 0.00 31.29 32.23 1ygw h VAL 16 CO 0.20 0.08 -0.23 -0.24 0.02 0.00 0.00 177.57 177.40 1ygw n SER 17 N -4.89 -0.35 -0.12 0.57 2.88 -1.07 0.17 113.62 110.81 1ygw n SER 17 Ca 0.02 1.40 -0.06 0.00 -1.33 0.00 0.00 58.87 58.90 1ygw n SER 17 Cb 0.09 -0.40 0.01 0.00 -0.75 0.00 0.00 64.21 63.16 1ygw n SER 17 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ygw h THR 18 N 0.00 0.40 -0.80 2.46 2.02 -1.60 0.68 112.91 116.08 1ygw h THR 18 Ca 0.36 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.56 1ygw h THR 18 Cb 0.57 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1ygw h THR 18 CO -0.83 0.00 0.52 0.00 0.37 0.00 0.00 175.52 175.59 1ygw h ALA 19 N 1.12 1.03 0.52 6.16 0.00 0.16 -2.65 119.26 125.60 1ygw h ALA 19 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ygw h ALA 19 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ygw h ALA 19 CO -0.48 0.39 -0.25 1.96 0.00 0.00 0.00 179.25 180.86 1ygw h GLN 20 N 1.05 -0.68 -0.99 0.00 4.20 0.16 -2.10 115.11 116.75 1ygw h GLN 20 Ca 0.30 0.05 0.37 0.00 0.06 0.00 0.00 58.65 59.43 1ygw h GLN 20 Cb -0.07 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 27.70 1ygw h GLN 20 CO -0.08 -0.45 0.50 0.00 -0.67 0.00 0.00 178.83 178.13 1ygw h ALA 21 N -0.21 1.98 0.70 3.87 0.00 0.56 2.09 119.26 128.25 1ygw h ALA 21 Ca -0.07 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ygw h ALA 21 Cb 0.54 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ygw h ALA 21 CO 0.11 -0.77 -0.33 0.00 0.00 0.00 0.00 179.25 178.26 1ygw h ALA 22 N 1.93 -1.18 -0.86 0.00 0.00 -1.06 0.46 119.26 118.55 1ygw h ALA 22 Ca 0.78 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.51 1ygw h ALA 22 Cb 1.92 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 20.02 1ygw h ALA 22 CO -0.72 -1.11 0.56 0.78 0.00 0.00 0.00 179.25 178.76 1ygw h GLY 23 N -0.99 1.25 0.45 0.00 0.00 -0.03 -2.72 103.07 101.03 1ygw h GLY 23 Ca -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ygw h GLY 23 CO 0.16 0.37 -0.48 -0.97 0.00 0.00 0.00 176.54 175.61 1ygw h TYR 24 N 1.08 -1.33 -0.84 5.60 0.05 0.33 0.76 116.97 122.62 1ygw h TYR 24 Ca 0.34 0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.30 1ygw h TYR 24 Cb -0.00 0.52 -0.16 0.00 1.01 0.00 0.00 36.73 38.10 1ygw h TYR 24 CO -0.02 -0.63 -0.22 -0.22 -1.05 0.00 0.00 178.16 176.02 1ygw h LYS 25 N -0.94 -0.00 -0.28 4.88 3.11 -0.73 2.04 116.57 124.64 1ygw h LYS 25 Ca -0.06 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1ygw h LYS 25 Cb 0.82 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.03 1ygw h LYS 25 CO -0.07 -0.00 -0.11 1.25 -2.81 0.00 0.00 179.45 177.70 1ygw h LEU 26 N -0.00 0.45 0.06 5.20 5.85 -1.12 -2.42 115.31 123.32 1ygw h LEU 26 Ca 0.40 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1ygw h LEU 26 Cb 0.62 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1ygw h LEU 26 CO -0.87 0.60 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.06 1ygw h HIS 27 N 0.44 -0.07 -0.24 1.25 2.76 0.94 0.48 115.15 120.70 1ygw h HIS 27 Ca 0.08 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1ygw h HIS 27 Cb 0.46 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1ygw h HIS 27 CO 0.01 0.23 0.29 0.93 -1.30 0.00 0.00 177.93 178.10 1ygw h GLU 28 N -0.37 0.00 0.00 5.26 5.08 0.16 0.64 114.58 125.35 1ygw h GLU 28 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1ygw h GLU 28 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ygw h GLU 28 CO 0.01 0.00 -1.39 -0.25 -1.00 0.00 0.00 179.01 176.38 1ygw n ASP 29 N -3.68 0.62 -0.47 1.42 8.00 -0.93 -4.97 116.55 116.54 1ygw n ASP 29 Ca 0.03 0.25 -0.04 0.00 0.71 0.00 0.00 54.79 55.74 1ygw n ASP 29 Cb 0.43 0.76 -0.00 0.00 -0.02 0.00 0.00 41.12 42.28 1ygw n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ygw n GLY 30 N 1.28 0.21 3.42 0.44 0.00 0.22 -5.04 105.19 105.71 1ygw n GLY 30 Ca -0.05 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1ygw n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ygw n GLU 31 N -1.38 0.75 -4.23 1.61 -0.58 0.22 -5.00 120.64 112.03 1ygw n GLU 31 Ca -0.05 -3.06 -0.27 0.00 -0.42 0.00 0.00 57.16 53.36 1ygw n GLU 31 Cb 0.54 0.29 -0.06 0.00 -0.57 0.00 0.00 31.44 31.64 1ygw n GLU 31 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ygw n THR 32 N -1.69 0.00 -4.04 2.62 -2.24 -1.26 -4.28 114.28 103.40 1ygw n THR 32 Ca -0.01 -2.01 -0.31 0.00 -2.27 0.00 0.00 64.05 59.45 1ygw n THR 32 Cb 0.56 0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 69.06 1ygw n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ygw s VAL 33 N -2.56 1.73 0.00 2.28 -7.23 -0.93 -4.91 120.40 108.78 1ygw s VAL 33 Ca 0.01 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1ygw s VAL 33 Cb 0.00 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1ygw s VAL 33 CO 0.01 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1ygw n GLY 34 N 4.70 0.00 0.00 2.32 0.00 0.90 -4.14 105.19 108.97 1ygw n GLY 34 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ygw n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 35 N 0.00 0.00 -3.13 1.61 3.41 -1.26 -0.65 113.62 113.60 1ygw n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ygw n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 36 N 0.00 -0.47 -1.86 4.04 3.02 -1.26 -4.75 115.26 113.99 1ygw n ASN 36 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1ygw n ASN 36 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ygw n SER 37 N -0.70 5.12 -4.78 6.41 3.41 -1.26 -4.12 113.62 117.70 1ygw n SER 37 Ca 0.00 -3.09 -0.38 0.00 -0.26 0.00 0.00 58.87 55.15 1ygw n SER 37 Cb 0.00 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.01 1ygw n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ygw s TYR 38 N -2.10 3.76 1.11 7.33 1.51 -1.26 -3.92 117.35 123.78 1ygw s TYR 38 Ca 0.36 1.77 -0.19 0.00 -1.01 0.00 0.00 57.07 58.00 1ygw s TYR 38 Cb 0.29 -2.90 0.27 0.00 -0.11 0.00 0.00 41.96 39.50 1ygw s TYR 38 CO 0.03 0.28 1.22 -0.35 -1.11 0.00 0.00 175.55 175.62 1ygw n PRO 39 N 0.80 -2.21 -3.69 -1.71 -0.04 -1.26 -2.20 135.00 124.70 1ygw n PRO 39 Ca 0.00 -1.91 -0.02 0.00 -0.04 0.00 0.00 63.50 61.53 1ygw n PRO 39 Cb 0.49 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1ygw n PRO 39 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ygw s HIS 40 N -3.47 -0.11 1.06 0.54 -3.43 -1.12 -4.95 115.29 103.82 1ygw s HIS 40 Ca 0.73 -0.10 -0.17 0.00 -0.80 0.00 0.00 55.06 54.72 1ygw s HIS 40 Cb -0.04 0.60 0.07 0.00 -1.43 0.00 0.00 32.58 31.77 1ygw s HIS 40 CO 0.54 -0.59 0.05 1.17 -2.00 0.00 0.00 174.74 173.91 1ygw n LYS 41 N -0.45 -1.08 0.00 -0.38 4.81 -1.26 0.20 118.16 120.00 1ygw n LYS 41 Ca -0.07 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1ygw n LYS 41 Cb 0.61 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ygw n TYR 42 N -4.08 0.00 0.00 5.64 4.19 1.00 -4.06 117.16 119.86 1ygw n TYR 42 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1ygw n TYR 42 Cb 0.60 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.43 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N -0.23 0.00 0.00 2.98 3.02 -1.03 -4.82 115.26 115.17 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ygw n ASN 44 N 6.46 0.00 0.00 6.41 6.94 -1.26 -4.72 115.26 129.09 1ygw n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ygw n ASN 44 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ygw n ASN 44 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ygw n TYR 45 N -1.39 0.00 0.29 -2.53 4.02 -1.26 -4.95 117.16 111.34 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1ygw n TYR 45 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 39.59 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 3.07 -1.98 -3.41 114.58 111.53 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1ygw n GLY 47 N -1.36 0.70 3.79 -3.84 0.00 -1.26 -5.11 105.19 98.11 1ygw n GLY 47 Ca -0.01 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1ygw n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ygw s PHE 48 N -0.68 3.54 -1.19 1.61 0.08 -1.26 -4.99 117.98 115.09 1ygw s PHE 48 Ca 0.00 0.60 -0.06 0.00 0.12 0.00 0.00 56.93 57.60 1ygw s PHE 48 Cb 0.00 -2.19 0.23 0.00 -0.57 0.00 0.00 43.02 40.48 1ygw s PHE 48 CO 0.00 0.45 1.83 -0.25 -0.10 0.00 0.00 175.22 177.15 1ygw n ASP 49 N 2.83 6.34 -4.58 1.36 9.92 -1.26 -4.93 116.55 126.23 1ygw n ASP 49 Ca -0.15 -3.30 -0.41 0.00 -0.53 0.00 0.00 54.79 50.40 1ygw n ASP 49 Cb 0.53 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ygw s PHE 50 N -1.58 1.89 -0.55 1.24 0.08 -1.25 -4.82 117.98 113.00 1ygw s PHE 50 Ca 0.39 0.67 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1ygw s PHE 50 Cb 0.11 -4.17 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 1ygw s PHE 50 CO 0.01 -2.45 0.50 -1.13 -0.10 0.00 0.00 175.22 172.04 1ygw n SER 51 N 10.93 1.31 -4.30 1.36 3.41 -1.26 -4.70 113.62 120.38 1ygw n SER 51 Ca 0.20 -1.37 -0.16 0.00 -0.26 0.00 0.00 58.87 57.27 1ygw n SER 51 Cb 0.49 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1ygw n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ygw s VAL 52 N -0.40 1.32 0.27 -3.33 -7.23 -1.26 -5.03 120.40 104.72 1ygw s VAL 52 Ca 0.00 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1ygw s VAL 52 Cb 0.00 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1ygw s VAL 52 CO 0.00 -0.61 0.51 -0.44 -0.31 0.00 0.00 175.10 174.25 1ygw s SER 53 N -3.24 6.44 1.05 4.85 0.01 -1.26 -5.02 113.70 116.52 1ygw s SER 53 Ca 0.21 0.64 -0.14 0.00 1.31 0.00 0.00 55.95 57.98 1ygw s SER 53 Cb 0.02 -2.11 0.21 0.00 0.21 0.00 0.00 66.02 64.35 1ygw s SER 53 CO 0.04 -0.15 1.10 -0.94 0.41 0.00 0.00 173.24 173.69 1ygw s SER 54 N -3.13 2.19 0.51 2.44 1.04 -1.26 -4.19 113.70 111.30 1ygw s SER 54 Ca 0.43 1.06 -0.19 0.00 0.48 0.00 0.00 55.95 57.73 1ygw s SER 54 Cb -0.11 -1.65 -0.07 0.00 0.10 0.00 0.00 66.02 64.29 1ygw s SER 54 CO 0.29 -3.38 1.04 -2.16 0.98 0.00 0.00 173.24 170.01 1ygw s PRO 55 N -5.04 3.69 -0.39 4.02 0.04 -1.26 -4.59 135.00 131.47 1ygw s PRO 55 Ca 0.67 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1ygw s PRO 55 Cb -0.17 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1ygw s PRO 55 CO 0.57 -0.51 0.67 0.71 0.04 0.00 0.00 177.00 178.48 1ygw s TYR 56 N -2.13 3.10 -0.08 0.56 2.02 -1.25 -3.64 117.35 115.93 1ygw s TYR 56 Ca 0.66 0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 57.45 1ygw s TYR 56 Cb -0.16 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.06 1ygw s TYR 56 CO 0.24 -0.75 0.33 0.71 -1.57 0.00 0.00 175.55 174.51 1ygw s TYR 57 N 2.85 3.60 0.04 2.71 2.02 2.59 0.33 117.35 131.50 1ygw s TYR 57 Ca 0.25 0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 57.69 1ygw s TYR 57 Cb -0.14 -2.26 -0.05 0.00 -0.40 0.00 0.00 41.96 39.11 1ygw s TYR 57 CO 0.17 0.49 0.25 -1.83 -1.57 0.00 0.00 175.55 173.07 1ygw s GLU 58 N -0.43 3.52 -0.17 -0.62 4.04 0.53 0.28 118.70 125.86 1ygw s GLU 58 Ca 0.20 -0.21 -0.29 0.00 0.04 0.00 0.00 54.97 54.71 1ygw s GLU 58 Cb -0.15 -3.03 0.10 0.00 0.02 0.00 0.00 34.13 31.07 1ygw s GLU 58 CO 0.08 0.61 0.85 -0.46 -1.84 0.00 0.00 175.26 174.51 1ygw s TRP 59 N -1.41 -0.55 0.55 4.83 -0.11 0.57 -2.78 118.94 120.03 1ygw s TRP 59 Ca 0.31 1.11 -0.17 0.00 1.22 0.00 0.00 56.10 58.57 1ygw s TRP 59 Cb -0.13 0.39 -0.06 0.00 -1.50 0.00 0.00 33.47 32.17 1ygw s TRP 59 CO 0.21 -0.41 1.04 -1.25 -4.62 0.00 0.00 176.95 171.92 1ygw s PRO 60 N -0.63 3.55 -0.20 5.86 0.04 -1.26 0.53 135.00 142.88 1ygw s PRO 60 Ca -0.04 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.25 1ygw s PRO 60 Cb -0.02 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ygw s PRO 60 CO 0.03 -0.63 -0.15 -1.50 0.04 0.00 0.00 177.00 174.79 1ygw s ILE 61 N -2.31 1.96 -0.27 0.56 2.07 -0.97 -4.40 121.20 117.85 1ygw s ILE 61 Ca 0.64 -1.13 -0.22 0.00 -1.41 0.00 0.00 60.65 58.53 1ygw s ILE 61 Cb -0.16 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.51 1ygw s ILE 61 CO 0.30 0.29 0.71 -0.76 -1.91 0.00 0.00 174.94 173.57 1ygw s LEU 62 N 1.27 4.08 0.00 8.50 1.43 -1.26 -4.55 118.68 128.15 1ygw s LEU 62 Ca -0.00 0.73 0.10 0.00 -1.03 0.00 0.00 54.13 53.93 1ygw s LEU 62 Cb -0.16 -2.97 0.54 0.00 0.03 0.00 0.00 46.19 43.64 1ygw s LEU 62 CO -0.09 -0.47 1.17 -0.24 0.23 0.00 0.00 176.35 176.94 1ygw n SER 63 N 5.90 0.00 0.03 2.29 2.88 -1.26 -0.65 113.62 122.81 1ygw n SER 63 Ca 0.02 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.67 1ygw n SER 63 Cb 0.48 -0.20 0.07 0.00 -0.75 0.00 0.00 64.21 63.81 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ygw n SER 64 N -1.20 0.63 -0.27 -3.46 7.64 -1.26 -4.96 113.62 110.74 1ygw n SER 64 Ca 0.06 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ygw n SER 64 Cb 0.07 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1ygw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ygw n GLY 65 N 1.37 0.89 0.00 0.23 0.00 0.18 -5.08 105.19 102.78 1ygw n GLY 65 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1ygw n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ygw n ASP 66 N 1.29 0.70 -3.89 1.61 9.92 -1.26 -5.06 116.55 119.87 1ygw n ASP 66 Ca 0.00 -0.90 -0.30 0.00 -0.53 0.00 0.00 54.79 53.05 1ygw n ASP 66 Cb 0.39 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.72 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ygw s VAL 67 N 0.43 1.50 -0.93 2.53 1.01 -1.26 -4.58 120.40 119.10 1ygw s VAL 67 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 1ygw s VAL 67 Cb 0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 36.38 34.12 1ygw s VAL 67 CO 0.00 -0.43 2.29 0.00 0.00 0.00 0.00 175.10 176.96 1ygw n TYR 68 N 4.62 0.39 0.02 5.22 9.36 -1.26 -4.65 117.16 130.85 1ygw n TYR 68 Ca -0.04 0.05 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1ygw n TYR 68 Cb 0.43 -1.30 -0.14 0.00 -0.63 0.00 0.00 39.34 37.70 1ygw n TYR 68 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ygw h SER 69 N 11.90 0.38 -0.04 2.98 4.64 -1.92 -3.45 113.55 128.04 1ygw h SER 69 Ca 0.01 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1ygw h SER 69 Cb 1.13 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1ygw h SER 69 CO 1.44 1.70 0.00 0.61 -0.87 0.00 0.00 176.83 179.71 1ygw n GLY 70 N 1.89 1.04 0.52 -0.77 0.00 -1.25 0.31 105.19 106.93 1ygw n GLY 70 Ca -0.28 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1ygw n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ygw n GLY 71 N 5.00 4.02 2.47 -0.02 0.00 0.18 -3.97 105.19 112.86 1ygw n GLY 71 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 72 N -0.90 2.96 0.00 1.61 3.41 -1.26 -4.95 113.62 114.49 1ygw n SER 72 Ca 0.14 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1ygw n SER 72 Cb 0.73 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ygw n PRO 73 N 0.65 0.00 0.00 4.33 -0.04 -1.26 -5.08 135.00 133.59 1ygw n PRO 73 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1ygw n PRO 73 Cb 0.45 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 1ygw n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ygw n GLY 74 N 2.39 2.28 0.31 0.55 0.00 -1.26 -4.96 105.19 104.51 1ygw n GLY 74 Ca 0.00 -1.14 0.12 0.00 0.00 0.00 0.00 46.02 45.00 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 75 N 0.00 1.14 -2.60 4.61 0.00 -1.95 -3.38 119.26 117.08 1ygw h ALA 75 Ca 0.00 0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.66 1ygw h ALA 75 Cb 0.00 0.45 0.05 0.00 0.00 0.00 0.00 17.79 18.29 1ygw h ALA 75 CO 0.00 -0.51 1.06 -0.51 0.00 0.00 0.00 179.25 179.29 1ygw s ASP 76 N -5.07 6.40 0.00 0.00 1.01 -1.26 -2.17 116.67 115.58 1ygw s ASP 76 Ca -0.13 2.83 -0.11 0.00 0.71 0.00 0.00 52.55 55.85 1ygw s ASP 76 Cb 0.26 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.62 1ygw s ASP 76 CO 0.77 -0.99 0.22 -0.13 0.21 0.00 0.00 175.17 175.26 1ygw s ARG 77 N 1.85 0.60 -0.01 8.23 1.81 0.24 -2.29 118.95 129.38 1ygw s ARG 77 Ca 0.78 -0.35 0.07 0.00 -1.72 0.00 0.00 55.73 54.51 1ygw s ARG 77 Cb -0.48 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.25 1ygw s ARG 77 CO 0.34 -0.16 -0.22 0.54 -0.68 0.00 0.00 175.30 175.12 1ygw s VAL 78 N -1.56 2.46 -0.08 3.52 0.11 2.07 -1.27 120.40 125.66 1ygw s VAL 78 Ca -0.13 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 57.90 1ygw s VAL 78 Cb -0.06 -1.93 0.01 0.00 -1.53 0.00 0.00 36.38 32.87 1ygw s VAL 78 CO 0.02 0.52 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.45 1ygw s VAL 79 N -0.72 1.48 0.00 2.04 1.01 -1.25 0.21 120.40 123.17 1ygw s VAL 79 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1ygw s VAL 79 Cb -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1ygw s VAL 79 CO 0.01 0.43 0.00 2.22 0.00 0.00 0.00 175.10 177.76 1ygw n PHE 80 N 3.72 0.00 0.00 5.22 -1.74 0.81 1.29 117.46 126.76 1ygw n PHE 80 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1ygw n PHE 80 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 1ygw n PHE 80 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1ygw n ASN 81 N -0.18 0.00 0.00 5.98 2.04 -1.19 0.61 115.26 122.51 1ygw n ASN 81 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ygw n ASN 81 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1ygw n GLU 82 N 0.00 0.00 -3.01 -3.83 2.13 -1.25 -4.67 120.64 110.00 1ygw n GLU 82 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1ygw n GLU 82 Cb 0.00 -0.14 -0.01 0.00 0.27 0.00 0.00 31.44 31.56 1ygw n GLU 82 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ygw s ASN 83 N -1.98 -1.26 0.00 4.31 6.03 -1.26 -4.88 114.94 115.90 1ygw s ASN 83 Ca 0.00 -1.34 0.00 0.00 -1.03 0.00 0.00 52.86 50.49 1ygw s ASN 83 Cb 0.00 1.78 0.00 0.00 -3.03 0.00 0.00 41.25 40.00 1ygw s ASN 83 CO 0.00 -0.12 0.00 -0.46 -2.03 0.00 0.00 177.10 174.49 1ygw n ASN 84 N 3.67 0.00 -2.60 3.54 0.23 -1.26 -5.02 115.26 113.82 1ygw n ASN 84 Ca 0.15 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.87 1ygw n ASN 84 Cb 0.56 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.28 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ygw n GLN 85 N -0.81 3.09 -1.37 -3.83 1.13 -1.26 -5.01 117.38 109.31 1ygw n GLN 85 Ca 0.00 -3.94 -0.51 0.00 -1.94 0.00 0.00 57.00 50.61 1ygw n GLN 85 Cb 0.00 -2.27 -0.05 0.00 0.11 0.00 0.00 30.24 28.03 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1ygw n LEU 86 N -0.58 -0.54 -0.03 1.08 0.00 -1.26 -3.17 117.00 112.51 1ygw n LEU 86 Ca 0.48 1.08 -0.15 0.00 0.00 0.00 0.00 56.01 57.42 1ygw n LEU 86 Cb 0.52 -0.88 -0.09 0.00 0.00 0.00 0.00 43.42 42.97 1ygw n LEU 86 CO 0.46 -2.26 0.41 0.00 0.00 0.00 0.00 177.39 176.00 1ygw h ALA 87 N 1.99 0.16 0.00 1.96 0.00 9.45 -3.40 119.26 129.41 1ygw h ALA 87 Ca -0.38 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1ygw h ALA 87 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ygw h ALA 87 CO 0.58 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1ygw n GLY 88 N 0.70 -0.66 2.85 0.00 0.00 -0.95 -3.90 105.19 103.24 1ygw n GLY 88 Ca -0.08 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ygw n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ygw s VAL 89 N -1.20 -0.47 0.64 1.61 1.01 -1.26 -3.94 120.40 116.79 1ygw s VAL 89 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1ygw s VAL 89 Cb 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1ygw s VAL 89 CO 0.00 -0.46 0.98 0.27 0.00 0.00 0.00 175.10 175.88 1ygw s ILE 90 N 1.44 3.57 -0.02 2.22 -4.36 -0.39 0.56 121.20 124.21 1ygw s ILE 90 Ca 0.18 0.18 -0.29 0.00 -0.26 0.00 0.00 60.65 60.46 1ygw s ILE 90 Cb -0.12 -3.46 0.08 0.00 1.25 0.00 0.00 42.46 40.22 1ygw s ILE 90 CO -0.04 -0.52 0.74 0.28 0.24 0.00 0.00 174.94 175.65 1ygw s THR 91 N -3.14 0.00 -0.90 8.37 -1.32 0.10 -0.59 115.64 118.16 1ygw s THR 91 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1ygw s THR 91 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1ygw s THR 91 CO 0.48 0.00 0.47 1.41 -2.21 0.00 0.00 174.62 174.77 1ygw n HIS 92 N 0.49 0.00 -2.37 9.09 8.25 -0.92 -2.49 115.22 127.27 1ygw n HIS 92 Ca -0.16 -0.04 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 1ygw n HIS 92 Cb 0.59 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 1ygw n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ygw s THR 93 N -0.89 4.17 -1.03 1.59 2.01 -1.26 -3.73 115.64 116.49 1ygw s THR 93 Ca 0.00 1.43 -0.10 0.00 0.31 0.00 0.00 61.69 63.33 1ygw s THR 93 Cb 0.00 -3.92 0.10 0.00 0.01 0.00 0.00 72.50 68.69 1ygw s THR 93 CO 0.00 -0.11 0.25 0.61 -0.69 0.00 0.00 174.62 174.69 1ygw n GLY 94 N 3.65 -0.19 0.24 4.40 0.00 -1.26 -4.68 105.19 107.35 1ygw n GLY 94 Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 95 N 1.34 0.98 -1.30 4.61 0.00 -1.82 -3.47 119.26 119.60 1ygw h ALA 95 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ygw h ALA 95 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ygw h ALA 95 CO 0.49 0.08 0.00 0.45 0.00 0.00 0.00 179.25 180.27 1ygw n SER 96 N -3.15 -1.64 0.00 0.00 2.88 -1.26 -4.58 113.62 105.87 1ygw n SER 96 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ygw n SER 96 Cb 0.43 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1ygw n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ygw n GLY 97 N -0.65 0.24 0.92 0.46 0.00 -1.26 -4.65 105.19 100.25 1ygw n GLY 97 Ca 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 2.75 -3.26 1.61 4.05 -1.26 -4.94 115.26 114.21 1ygw n ASN 98 Ca 0.00 -1.89 -0.24 0.00 0.45 0.00 0.00 54.58 52.90 1ygw n ASN 98 Cb 0.00 -0.18 0.22 0.00 1.23 0.00 0.00 39.78 41.04 1ygw n ASN 98 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1ygw n ASN 99 N 1.04 -2.78 -4.32 1.20 2.04 -1.26 -5.04 115.26 106.14 1ygw n ASN 99 Ca 0.18 -0.87 -0.17 0.00 -0.44 0.00 0.00 54.58 53.28 1ygw n ASN 99 Cb 0.50 -0.80 -0.10 0.00 -2.53 0.00 0.00 39.78 36.85 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1ygw s PHE 100 N -2.24 1.52 -0.28 -2.53 0.08 -1.26 -4.60 117.98 108.67 1ygw s PHE 100 Ca 0.55 -1.05 -0.20 0.00 0.12 0.00 0.00 56.93 56.35 1ygw s PHE 100 Cb -0.07 -0.90 0.09 0.00 -0.57 0.00 0.00 43.02 41.57 1ygw s PHE 100 CO 0.44 -0.19 0.78 0.14 -0.10 0.00 0.00 175.22 176.30 1ygw s VAL 101 N -3.59 0.00 0.11 -0.44 -7.23 -1.04 -4.88 120.40 103.33 1ygw s VAL 101 Ca 0.32 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.17 1ygw s VAL 101 Cb 0.07 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.90 1ygw s VAL 101 CO 0.10 0.00 1.81 -1.84 -0.31 0.00 0.00 175.10 174.86 1ygw n GLU 102 N 3.38 2.63 0.00 4.82 0.28 -1.25 0.01 120.64 130.50 1ygw n GLU 102 Ca -0.17 0.96 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 1ygw n GLU 102 Cb 0.57 -2.83 0.00 0.00 1.43 0.00 0.00 31.44 30.61 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97