#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw h ASP 3 N 4.09 0.00 -3.06 0.00 5.19 -1.91 -3.24 116.42 117.48 1ygw h ASP 3 Ca 0.38 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.33 1ygw h ASP 3 Cb 0.42 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.52 1ygw h ASP 3 CO 1.10 0.00 -0.75 -0.31 -3.12 0.00 0.00 179.24 176.16 1ygw s TYR 4 N -4.74 0.20 -0.33 4.55 2.02 -1.26 -4.87 117.35 112.92 1ygw s TYR 4 Ca -0.04 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1ygw s TYR 4 Cb 0.22 -0.69 0.09 0.00 -0.40 0.00 0.00 41.96 41.18 1ygw s TYR 4 CO 0.75 -0.50 0.03 0.99 -1.57 0.00 0.00 175.55 175.25 1ygw s THR 5 N 2.14 2.45 -1.40 -0.71 2.01 -1.20 -0.55 115.64 118.37 1ygw s THR 5 Ca 0.02 -2.04 -0.14 0.00 0.31 0.00 0.00 61.69 59.84 1ygw s THR 5 Cb -0.16 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1ygw s THR 5 CO -0.09 -0.42 2.33 0.00 -0.69 0.00 0.00 174.62 175.75 1ygw n GLY 7 N 4.04 1.88 2.69 0.00 0.00 -1.26 -4.22 105.19 108.32 1ygw n GLY 7 Ca 0.57 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 2.38 -1.81 -1.29 1.61 3.41 -1.26 -5.08 113.62 111.57 1ygw n SER 8 Ca 0.00 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1ygw n SER 8 Cb 0.00 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.69 1.82 -2.69 4.04 3.02 -1.26 -5.10 115.26 114.40 1ygw n ASN 9 Ca -0.06 -0.67 -0.04 0.00 -0.03 0.00 0.00 54.58 53.78 1ygw n ASN 9 Cb 0.84 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.05 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw n TYR 11 N 2.27 1.68 -0.32 0.00 4.01 0.28 -4.87 117.16 120.21 1ygw n TYR 11 Ca 0.10 -2.00 -0.10 0.00 -0.16 0.00 0.00 57.90 55.74 1ygw n TYR 11 Cb 0.65 -1.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.41 1ygw n TYR 11 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ygw n SER 12 N 0.63 -0.92 -0.13 7.72 2.88 -1.25 -2.43 113.62 120.12 1ygw n SER 12 Ca 0.45 0.17 0.22 0.00 -1.33 0.00 0.00 58.87 58.38 1ygw n SER 12 Cb 0.56 -0.22 0.34 0.00 -0.75 0.00 0.00 64.21 64.14 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ygw n SER 13 N 0.64 0.00 0.13 -3.46 3.41 -1.26 0.67 113.62 113.74 1ygw n SER 13 Ca 0.02 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.32 1ygw n SER 13 Cb 0.12 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1ygw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ygw h SER 14 N 0.00 0.00 0.98 4.04 0.87 -1.96 -2.36 113.55 115.12 1ygw h SER 14 Ca 0.39 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.74 1ygw h SER 14 Cb 2.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.50 1ygw h SER 14 CO -0.00 0.45 -1.06 0.44 -0.53 0.00 0.00 176.83 176.12 1ygw h ASP 15 N 0.00 0.00 0.06 6.23 5.19 2.10 -3.16 116.42 126.85 1ygw h ASP 15 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1ygw h ASP 15 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1ygw h ASP 15 CO 0.05 0.89 -0.03 0.58 -3.12 0.00 0.00 179.24 177.61 1ygw h VAL 16 N 0.00 0.00 -0.89 -1.35 2.07 -0.86 -3.00 116.25 112.22 1ygw h VAL 16 Ca -0.07 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.37 1ygw h VAL 16 Cb 1.74 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.34 1ygw h VAL 16 CO 0.11 0.00 -0.20 -0.24 0.02 0.00 0.00 177.57 177.26 1ygw n SER 17 N -2.99 -0.30 -0.04 0.57 2.88 -0.89 0.13 113.62 112.98 1ygw n SER 17 Ca -0.01 1.53 -0.08 0.00 -1.33 0.00 0.00 58.87 58.98 1ygw n SER 17 Cb 0.03 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.47 -0.63 2.46 2.02 -1.66 0.99 112.91 116.55 1ygw h THR 18 Ca 0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.62 1ygw h THR 18 Cb 0.70 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1ygw h THR 18 CO -0.91 0.00 0.38 0.00 0.37 0.00 0.00 175.52 175.36 1ygw h ALA 19 N 0.88 0.80 0.48 6.16 0.00 0.12 -2.89 119.26 124.81 1ygw h ALA 19 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ygw h ALA 19 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ygw h ALA 19 CO -0.35 0.28 -0.26 1.96 0.00 0.00 0.00 179.25 180.88 1ygw h GLN 20 N 0.86 -0.66 -0.82 0.00 4.20 0.11 -2.03 115.11 116.77 1ygw h GLN 20 Ca 0.23 0.05 0.31 0.00 0.06 0.00 0.00 58.65 59.30 1ygw h GLN 20 Cb -0.03 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 27.79 1ygw h GLN 20 CO -0.04 -0.44 0.49 0.00 -0.67 0.00 0.00 178.83 178.16 1ygw n ALA 21 N -2.42 0.83 0.01 3.87 0.00 0.33 0.28 120.51 123.41 1ygw n ALA 21 Ca -0.12 0.67 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 1ygw n ALA 21 Cb 0.30 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 1ygw n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ygw h ALA 22 N 1.28 -0.12 -1.00 0.00 0.00 -1.36 -0.79 119.26 117.26 1ygw h ALA 22 Ca 0.61 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.45 1ygw h ALA 22 Cb 1.77 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 1ygw h ALA 22 CO -0.45 -0.22 0.61 0.78 0.00 0.00 0.00 179.25 179.97 1ygw h GLY 23 N -0.83 1.80 0.00 0.00 0.00 0.45 0.20 103.07 104.69 1ygw h GLY 23 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ygw h GLY 23 CO 0.02 -0.11 0.00 2.98 0.00 0.00 0.00 176.54 179.43 1ygw n TYR 24 N -4.79 0.00 -0.28 5.60 9.36 0.14 -0.52 117.16 126.66 1ygw n TYR 24 Ca 0.24 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.50 1ygw n TYR 24 Cb 0.63 -0.33 0.09 0.00 -0.63 0.00 0.00 39.34 39.10 1ygw n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ygw n LYS 25 N -1.49 -0.09 -0.07 2.98 0.00 -0.30 0.42 118.16 119.61 1ygw n LYS 25 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 58.31 59.44 1ygw n LYS 25 Cb 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 35.03 33.36 1ygw n LYS 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1ygw h LEU 26 N 0.00 0.72 -0.35 3.14 5.85 -0.73 -1.06 115.31 122.88 1ygw h LEU 26 Ca 0.35 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ygw h LEU 26 Cb 0.54 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1ygw h LEU 26 CO -0.79 0.92 0.09 -0.74 -0.34 0.00 0.00 178.44 177.58 1ygw h HIS 27 N 0.63 0.58 0.00 1.25 2.76 1.12 -0.15 115.15 121.34 1ygw h HIS 27 Ca 0.09 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1ygw h HIS 27 Cb 0.69 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 1ygw h HIS 27 CO 0.03 0.59 -0.17 1.05 -1.30 0.00 0.00 177.93 178.14 1ygw h GLU 28 N 0.41 0.00 0.00 5.26 4.11 0.25 -1.00 114.58 123.61 1ygw h GLU 28 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 1ygw h GLU 28 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ygw h GLU 28 CO 0.00 0.17 -0.30 -0.44 0.07 0.00 0.00 179.01 178.51 1ygw h ASP 29 N 0.00 0.00 -0.23 3.06 3.32 -0.53 -3.47 116.42 118.57 1ygw h ASP 29 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1ygw h ASP 29 Cb 0.43 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1ygw h ASP 29 CO 0.02 0.22 -0.09 0.61 -1.72 0.00 0.00 179.24 178.28 1ygw n GLY 30 N 1.16 0.72 4.02 2.75 0.00 -0.13 -5.03 105.19 108.68 1ygw n GLY 30 Ca 0.03 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1ygw n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ygw s GLU 31 N -2.42 2.07 0.37 1.61 0.41 -0.89 -5.04 118.70 114.81 1ygw s GLU 31 Ca 0.00 -1.46 0.04 0.00 -0.41 0.00 0.00 54.97 53.14 1ygw s GLU 31 Cb 0.00 -2.54 -0.03 0.00 -1.78 0.00 0.00 34.13 29.78 1ygw s GLU 31 CO 0.00 -1.07 0.14 0.95 -0.49 0.00 0.00 175.26 174.79 1ygw s THR 32 N -2.84 0.54 0.07 3.63 -4.23 -1.26 -4.31 115.64 107.24 1ygw s THR 32 Ca 0.63 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1ygw s THR 32 Cb -0.06 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1ygw s THR 32 CO 0.41 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 175.08 1ygw s VAL 33 N -3.34 0.69 0.00 2.29 -7.23 -0.12 -4.95 120.40 107.75 1ygw s VAL 33 Ca 0.29 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1ygw s VAL 33 Cb 0.04 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1ygw s VAL 33 CO 0.16 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1ygw n GLY 34 N 0.98 0.93 2.57 2.32 0.00 -1.25 -2.95 105.19 107.79 1ygw n GLY 34 Ca -0.19 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.21 7.35 -0.67 1.61 3.41 -1.19 -4.83 113.62 116.08 1ygw n SER 35 Ca 0.00 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 1ygw n SER 35 Cb 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 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 -0.39 0.03 -1.84 4.04 4.13 -1.15 -5.04 115.26 115.03 1ygw n ASN 36 Ca 0.54 -0.66 -0.20 0.00 1.68 0.00 0.00 54.58 55.93 1ygw n ASN 36 Cb 0.45 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.74 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ygw n SER 37 N -1.97 4.63 -4.87 6.41 3.41 -1.26 -4.41 113.62 115.55 1ygw n SER 37 Ca 0.00 -3.77 -0.33 0.00 -0.26 0.00 0.00 58.87 54.50 1ygw n SER 37 Cb 0.00 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.56 3.53 0.06 7.33 1.51 -1.26 -4.07 117.35 120.89 1ygw s TYR 38 Ca 0.50 0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 57.34 1ygw s TYR 38 Cb 0.41 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1ygw s TYR 38 CO 0.02 0.44 0.07 -0.35 -1.11 0.00 0.00 175.55 174.62 1ygw n PRO 39 N 0.50 -0.60 0.00 -1.71 -0.04 -1.26 -0.94 135.00 130.95 1ygw n PRO 39 Ca -0.05 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ygw n PRO 39 Cb 0.52 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1ygw n PRO 39 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygw n HIS 40 N -2.37 0.00 -0.71 0.54 1.44 -1.15 -4.96 115.22 108.00 1ygw n HIS 40 Ca 0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.39 1ygw n HIS 40 Cb 0.03 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.30 1ygw n HIS 40 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1ygw n LYS 41 N -0.09 -1.42 -0.10 -1.40 4.81 -1.26 0.19 118.16 118.91 1ygw n LYS 41 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 1ygw n LYS 41 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 -4.32 0.00 0.00 5.64 4.19 0.63 -3.87 117.16 119.42 1ygw n TYR 42 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.64 0.11 0.00 0.00 0.49 0.00 0.00 39.34 40.58 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 0.00 0.00 -4.33 2.98 3.02 -1.26 -4.68 115.26 111.00 1ygw n ASN 43 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1ygw n ASN 43 Cb 0.51 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.00 -2.20 0.00 6.41 6.94 -1.26 -4.89 115.26 120.27 1ygw n ASN 44 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1ygw n ASN 44 Cb 0.00 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.37 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 -4.36 -0.12 0.30 -2.53 4.02 -1.26 -4.93 117.16 108.27 1ygw n TYR 45 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 1ygw n TYR 45 Cb 0.60 0.02 0.24 0.00 -0.02 0.00 0.00 39.34 40.18 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 4.39 -1.95 -3.41 114.58 112.89 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ygw n GLY 47 N -1.44 0.60 3.84 -3.84 0.00 -1.26 -5.13 105.19 97.95 1ygw n GLY 47 Ca 0.01 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.44 3.52 -1.06 1.61 0.08 -1.26 -5.02 117.98 115.40 1ygw s PHE 48 Ca 0.00 0.46 -0.06 0.00 0.12 0.00 0.00 56.93 57.45 1ygw s PHE 48 Cb 0.00 -1.93 0.28 0.00 -0.57 0.00 0.00 43.02 40.81 1ygw s PHE 48 CO 0.00 0.67 1.21 -0.25 -0.10 0.00 0.00 175.22 176.75 1ygw n ASP 49 N 2.10 5.67 -4.66 1.36 9.92 -1.26 -4.94 116.55 124.75 1ygw n ASP 49 Ca -0.20 -3.21 -0.43 0.00 -0.53 0.00 0.00 54.79 50.43 1ygw n ASP 49 Cb 0.55 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.72 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 -1.93 3.34 -0.74 1.24 0.08 -1.25 -4.89 117.98 113.83 1ygw s PHE 50 Ca 0.31 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.79 1ygw s PHE 50 Cb -0.03 -3.24 0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1ygw s PHE 50 CO -0.01 -0.46 0.68 -1.13 -0.10 0.00 0.00 175.22 174.20 1ygw n SER 51 N 6.23 1.66 -4.30 1.36 3.41 -1.26 -4.77 113.62 115.95 1ygw n SER 51 Ca 0.11 -2.06 -0.19 0.00 -0.26 0.00 0.00 58.87 56.48 1ygw n SER 51 Cb 0.46 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.88 1.57 0.03 -3.33 -7.23 -1.26 -5.04 120.40 104.26 1ygw s VAL 52 Ca 0.03 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1ygw s VAL 52 Cb 0.02 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1ygw s VAL 52 CO 0.01 -0.47 0.37 -0.44 -0.31 0.00 0.00 175.10 174.25 1ygw s SER 53 N -2.83 6.66 1.12 4.85 0.01 -1.26 -5.01 113.70 117.24 1ygw s SER 53 Ca 0.16 0.80 -0.18 0.00 1.31 0.00 0.00 55.95 58.03 1ygw s SER 53 Cb -0.03 -2.18 0.12 0.00 0.21 0.00 0.00 66.02 64.13 1ygw s SER 53 CO 0.05 0.25 0.06 -1.54 0.41 0.00 0.00 173.24 172.48 1ygw n SER 54 N 1.33 -2.34 -4.80 2.44 3.41 -1.26 -4.16 113.62 108.24 1ygw n SER 54 Ca -0.11 -0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.04 1ygw n SER 54 Cb 0.53 -0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1ygw n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ygw s PRO 55 N -3.50 3.59 -0.42 4.33 0.04 -1.26 -4.61 135.00 133.17 1ygw s PRO 55 Ca 0.57 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1ygw s PRO 55 Cb -0.13 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1ygw s PRO 55 CO 0.66 -0.60 0.61 0.71 0.04 0.00 0.00 177.00 178.42 1ygw s TYR 56 N -2.24 3.09 -0.16 0.56 2.02 -1.25 -3.28 117.35 116.10 1ygw s TYR 56 Ca 0.65 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 57.16 1ygw s TYR 56 Cb -0.16 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 1ygw s TYR 56 CO 0.28 -0.80 0.35 0.71 -1.57 0.00 0.00 175.55 174.52 1ygw s TYR 57 N 2.70 3.46 0.03 2.71 2.02 6.76 0.23 117.35 135.25 1ygw s TYR 57 Ca 0.21 0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 57.43 1ygw s TYR 57 Cb -0.15 -2.41 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1ygw s TYR 57 CO 0.18 0.19 0.43 -1.83 -1.57 0.00 0.00 175.55 172.94 1ygw s GLU 58 N 0.61 3.92 -0.27 -0.62 4.04 0.52 0.22 118.70 127.11 1ygw s GLU 58 Ca 0.19 0.41 -0.24 0.00 0.04 0.00 0.00 54.97 55.37 1ygw s GLU 58 Cb -0.14 -3.17 0.08 0.00 0.02 0.00 0.00 34.13 30.93 1ygw s GLU 58 CO 0.06 0.66 0.80 -0.46 -1.84 0.00 0.00 175.26 174.47 1ygw s TRP 59 N -1.15 -0.73 0.58 4.83 -0.11 0.31 -2.95 118.94 119.72 1ygw s TRP 59 Ca 0.26 1.75 -0.16 0.00 1.22 0.00 0.00 56.10 59.17 1ygw s TRP 59 Cb -0.16 0.32 -0.04 0.00 -1.50 0.00 0.00 33.47 32.09 1ygw s TRP 59 CO 0.15 -0.35 1.05 -1.25 -4.62 0.00 0.00 176.95 171.92 1ygw s PRO 60 N 0.47 3.41 -0.14 5.86 0.04 -1.26 0.83 135.00 144.20 1ygw s PRO 60 Ca -0.00 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1ygw s PRO 60 Cb -0.05 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1ygw s PRO 60 CO -0.03 -0.73 -0.17 -1.50 0.04 0.00 0.00 177.00 174.61 1ygw s ILE 61 N -2.46 2.60 -0.26 0.56 2.07 -1.09 -4.42 121.20 118.19 1ygw s ILE 61 Ca 0.63 -0.80 -0.16 0.00 -1.41 0.00 0.00 60.65 58.90 1ygw s ILE 61 Cb -0.15 -2.08 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 1ygw s ILE 61 CO 0.36 0.53 0.43 -0.76 -1.91 0.00 0.00 174.94 173.59 1ygw s LEU 62 N 0.67 4.05 0.17 8.50 1.43 -1.26 -4.67 118.68 127.57 1ygw s LEU 62 Ca -0.08 0.40 0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1ygw s LEU 62 Cb -0.16 -2.53 0.60 0.00 0.03 0.00 0.00 46.19 44.14 1ygw s LEU 62 CO 0.02 -0.22 1.33 -0.24 0.23 0.00 0.00 176.35 177.48 1ygw n SER 63 N 5.34 0.29 0.12 2.29 2.88 -1.26 0.64 113.62 123.91 1ygw n SER 63 Ca -0.07 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1ygw n SER 63 Cb 0.50 -0.66 0.21 0.00 -0.75 0.00 0.00 64.21 63.51 1ygw n SER 63 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ygw h SER 64 N 0.00 0.00 -0.44 -3.46 0.02 -2.01 -3.48 113.55 104.18 1ygw h SER 64 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1ygw h SER 64 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ygw h SER 64 CO 0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1ygw n GLY 65 N 1.25 0.87 0.71 -3.77 0.00 0.21 -5.08 105.19 99.37 1ygw n GLY 65 Ca 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 1.34 1.55 -4.26 1.61 9.92 -1.25 -4.99 116.55 120.47 1ygw n ASP 66 Ca 0.00 -1.37 -0.38 0.00 -0.53 0.00 0.00 54.79 52.50 1ygw n ASP 66 Cb 0.39 0.01 -0.12 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.71 3.87 -0.95 2.53 1.01 -1.26 -4.37 120.40 120.53 1ygw s VAL 67 Ca 0.04 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1ygw s VAL 67 Cb -0.00 -3.29 -0.27 0.00 0.00 0.00 0.00 36.38 32.81 1ygw s VAL 67 CO 0.03 -0.33 2.35 0.00 0.00 0.00 0.00 175.10 177.15 1ygw n TYR 68 N 4.82 0.38 -2.45 5.22 9.36 -1.26 -4.70 117.16 128.52 1ygw n TYR 68 Ca -0.11 0.11 -0.23 0.00 3.32 0.00 0.00 57.90 61.00 1ygw n TYR 68 Cb 0.44 -1.40 0.01 0.00 -0.63 0.00 0.00 39.34 37.75 1ygw n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ygw n SER 69 N 9.03 4.18 0.02 2.98 3.41 -1.26 -4.69 113.62 127.30 1ygw n SER 69 Ca 0.63 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1ygw n SER 69 Cb 0.16 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1ygw n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ygw n GLY 70 N -0.46 -0.04 0.00 5.00 0.00 -1.26 -4.39 105.19 104.05 1ygw n GLY 70 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 2.48 1.57 2.55 -0.02 0.00 -1.26 -3.20 105.19 107.31 1ygw n GLY 71 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ygw n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 72 N 0.00 1.05 0.04 1.61 7.64 -1.26 -4.53 113.62 118.17 1ygw n SER 72 Ca 0.00 -2.78 -0.08 0.00 1.01 0.00 0.00 58.87 57.01 1ygw n SER 72 Cb 0.00 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ygw h PRO 73 N 2.95 -0.20 -3.21 1.43 0.13 -1.95 -3.48 132.00 127.65 1ygw h PRO 73 Ca -0.06 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1ygw h PRO 73 Cb 1.14 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ygw h PRO 73 CO 0.46 0.16 -0.40 0.41 -0.23 0.00 0.00 178.00 178.40 1ygw n GLY 74 N 0.92 0.02 0.00 1.56 0.00 -1.26 -4.43 105.19 101.99 1ygw n GLY 74 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 75 N 0.63 0.00 -2.04 4.61 0.00 -1.26 -4.83 120.51 117.62 1ygw n ALA 75 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1ygw n ALA 75 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ygw s ASP 76 N -4.00 6.93 -0.21 0.00 1.01 -1.26 -0.69 116.67 118.44 1ygw s ASP 76 Ca 0.00 2.35 -0.13 0.00 0.71 0.00 0.00 52.55 55.49 1ygw s ASP 76 Cb 0.00 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1ygw s ASP 76 CO 0.00 -0.51 0.53 -0.13 0.21 0.00 0.00 175.17 175.27 1ygw s ARG 77 N -0.01 0.53 -0.18 8.23 1.81 0.43 -2.68 118.95 127.08 1ygw s ARG 77 Ca 0.57 0.95 -0.08 0.00 -1.72 0.00 0.00 55.73 55.44 1ygw s ARG 77 Cb -0.36 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 1ygw s ARG 77 CO 0.37 -0.15 0.09 0.54 -0.68 0.00 0.00 175.30 175.48 1ygw s VAL 78 N 1.38 5.06 -0.13 3.52 0.11 4.58 -0.29 120.40 134.63 1ygw s VAL 78 Ca -0.09 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1ygw s VAL 78 Cb -0.07 -3.29 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1ygw s VAL 78 CO -0.14 0.47 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.34 1ygw s VAL 79 N 0.24 3.61 0.21 2.04 1.01 -1.22 0.12 120.40 126.42 1ygw s VAL 79 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ygw s VAL 79 Cb -0.12 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1ygw s VAL 79 CO -0.00 0.52 0.21 2.22 0.00 0.00 0.00 175.10 178.05 1ygw n PHE 80 N 3.31 -0.66 0.00 5.22 -1.74 0.58 1.25 117.46 125.42 1ygw n PHE 80 Ca -0.18 -1.68 0.00 0.00 -0.56 0.00 0.00 57.45 55.03 1ygw n PHE 80 Cb 0.53 0.23 0.00 0.00 1.52 0.00 0.00 39.48 41.75 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 -2.08 0.00 -0.19 5.98 2.04 -1.10 1.00 115.26 120.91 1ygw n ASN 81 Ca 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 54.58 54.15 1ygw n ASN 81 Cb 0.38 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.62 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 -0.15 0.00 -3.83 2.13 -1.25 -4.64 120.64 112.89 1ygw n GLU 82 Ca 0.00 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1ygw n GLU 82 Cb 0.00 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ygw n ASN 83 N -4.67 0.00 -0.41 4.31 2.04 -1.26 -4.92 115.26 110.35 1ygw n ASN 83 Ca 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 1ygw n ASN 83 Cb 0.17 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ygw n ASN 84 N -0.07 0.80 -2.22 0.53 0.23 -1.26 -4.12 115.26 109.15 1ygw n ASN 84 Ca 0.00 -1.97 -0.22 0.00 -0.53 0.00 0.00 54.58 51.86 1ygw n ASN 84 Cb 0.00 -0.40 -0.02 0.00 -2.08 0.00 0.00 39.78 37.28 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 -0.08 2.14 -1.25 -3.83 1.13 -1.26 -4.98 117.38 109.25 1ygw n GLN 85 Ca 0.00 -1.99 -0.45 0.00 -1.94 0.00 0.00 57.00 52.62 1ygw n GLN 85 Cb 0.20 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.59 1ygw n GLN 85 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1ygw n LEU 86 N 0.67 -0.77 0.02 1.08 -0.00 -1.26 -2.71 117.00 114.04 1ygw n LEU 86 Ca 0.41 0.99 -0.13 0.00 -0.00 0.00 0.00 56.01 57.28 1ygw n LEU 86 Cb 0.58 -0.82 -0.14 0.00 -0.00 0.00 0.00 43.42 43.04 1ygw n LEU 86 CO 0.35 -2.33 -0.43 0.00 -0.00 0.00 0.00 177.39 174.98 1ygw h ALA 87 N 1.39 0.50 0.00 1.47 0.00 8.74 -3.40 119.26 127.97 1ygw h ALA 87 Ca -0.30 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.34 1ygw h ALA 87 Cb 1.25 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ygw h ALA 87 CO 0.52 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.53 1ygw n GLY 88 N 1.64 -0.68 2.56 0.00 0.00 -0.87 -3.89 105.19 103.96 1ygw n GLY 88 Ca -0.17 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.00 -0.03 0.62 1.61 1.01 -1.26 -3.37 120.40 114.97 1ygw s VAL 89 Ca 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 61.98 60.31 1ygw s VAL 89 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1ygw s VAL 89 CO 0.00 -0.86 0.99 0.27 0.00 0.00 0.00 175.10 175.50 1ygw s ILE 90 N 1.04 4.24 -0.02 2.22 -4.36 0.60 0.47 121.20 125.39 1ygw s ILE 90 Ca 0.20 0.52 -0.26 0.00 -0.26 0.00 0.00 60.65 60.85 1ygw s ILE 90 Cb -0.16 -3.70 0.06 0.00 1.25 0.00 0.00 42.46 39.91 1ygw s ILE 90 CO -0.03 -0.85 0.57 0.28 0.24 0.00 0.00 174.94 175.15 1ygw s THR 91 N -3.13 0.02 -1.41 8.37 -1.32 0.12 -0.43 115.64 117.87 1ygw s THR 91 Ca 0.54 -0.14 0.21 0.00 -1.21 0.00 0.00 61.69 61.10 1ygw s THR 91 Cb -0.11 -0.91 0.36 0.00 -1.51 0.00 0.00 72.50 70.33 1ygw s THR 91 CO 0.51 -0.08 1.69 1.41 -2.21 0.00 0.00 174.62 175.93 1ygw n HIS 92 N 0.89 0.00 -1.06 9.09 8.25 0.13 -2.46 115.22 130.06 1ygw n HIS 92 Ca -0.19 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.05 1ygw n HIS 92 Cb 0.57 -0.30 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 1ygw n HIS 92 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ygw n THR 93 N -1.30 0.00 -3.11 1.59 -1.04 -1.26 -0.41 114.28 108.75 1ygw n THR 93 Ca 0.10 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.73 1ygw n THR 93 Cb 0.17 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.48 1ygw n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ygw n GLY 94 N 4.23 -0.16 0.01 3.41 0.00 -1.26 -4.61 105.19 106.81 1ygw n GLY 94 Ca 0.47 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.57 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 95 N -2.39 1.20 -0.26 4.61 0.00 0.45 -4.76 120.51 119.36 1ygw n ALA 95 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ygw n ALA 95 Cb 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ygw n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ygw n SER 96 N -1.55 -0.24 0.00 0.00 2.88 -1.26 -4.69 113.62 108.76 1ygw n SER 96 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ygw n SER 96 Cb 0.05 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.10 0.08 0.95 0.46 0.00 -1.26 -4.54 105.19 100.79 1ygw n GLY 97 Ca 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 2.85 -4.61 1.61 4.05 -1.26 -4.94 115.26 112.95 1ygw n ASN 98 Ca 0.00 -1.91 -0.28 0.00 0.45 0.00 0.00 54.58 52.84 1ygw n ASN 98 Cb 0.00 -0.21 0.20 0.00 1.23 0.00 0.00 39.78 41.00 1ygw n ASN 98 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ygw s ASN 99 N -1.47 2.00 0.36 1.20 6.03 -1.26 -5.02 114.94 116.79 1ygw s ASN 99 Ca 0.36 1.25 0.07 0.00 -1.03 0.00 0.00 52.86 53.51 1ygw s ASN 99 Cb 0.21 -1.95 -0.07 0.00 -3.03 0.00 0.00 41.25 36.40 1ygw s ASN 99 CO 0.29 -3.53 -0.03 -0.36 -2.03 0.00 0.00 177.10 171.45 1ygw s PHE 100 N -2.82 2.34 -0.28 1.54 0.08 -1.26 -4.49 117.98 113.09 1ygw s PHE 100 Ca 0.66 -0.65 -0.18 0.00 0.12 0.00 0.00 56.93 56.88 1ygw s PHE 100 Cb -0.21 -1.50 0.10 0.00 -0.57 0.00 0.00 43.02 40.84 1ygw s PHE 100 CO 0.60 0.42 0.78 0.14 -0.10 0.00 0.00 175.22 177.06 1ygw s VAL 101 N -2.79 0.00 0.08 -0.44 -7.23 -1.03 -4.86 120.40 104.13 1ygw s VAL 101 Ca 0.34 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.20 1ygw s VAL 101 Cb 0.07 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 1ygw s VAL 101 CO 0.16 0.00 1.88 -1.84 -0.31 0.00 0.00 175.10 175.00 1ygw n GLU 102 N 3.79 2.77 0.00 4.82 0.28 -1.26 0.16 120.64 131.20 1ygw n GLU 102 Ca -0.18 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 1ygw n GLU 102 Cb 0.58 -2.92 0.00 0.00 1.43 0.00 0.00 31.44 30.53 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97