#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 -0.06 0.04 -3.83 0.00 9.92 -1.26 -3.72 116.55 117.64 1ygw n ASP 3 Ca 0.28 0.93 -0.21 0.00 -0.53 0.00 0.00 54.79 55.26 1ygw n ASP 3 Cb 0.55 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 40.40 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 -4.68 0.67 -0.26 1.24 2.02 -1.26 -4.74 117.35 110.34 1ygw s TYR 4 Ca -0.05 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1ygw s TYR 4 Cb 0.24 -0.70 0.08 0.00 -0.40 0.00 0.00 41.96 41.18 1ygw s TYR 4 CO 0.75 -0.25 0.07 0.99 -1.57 0.00 0.00 175.55 175.54 1ygw s THR 5 N 1.39 0.66 -1.55 -0.71 2.01 -1.22 0.06 115.64 116.29 1ygw s THR 5 Ca -0.04 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.86 1ygw s THR 5 Cb -0.13 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1ygw s THR 5 CO -0.03 -0.47 2.62 0.00 -0.69 0.00 0.00 174.62 176.06 1ygw n GLY 7 N 3.79 1.82 2.69 0.00 0.00 -1.26 -4.18 105.19 108.05 1ygw n GLY 7 Ca 0.66 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 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 2.97 -0.19 -1.53 1.61 3.41 -1.26 -5.08 113.62 113.54 1ygw n SER 8 Ca 0.00 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1ygw n SER 8 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.45 1.64 -2.69 4.04 3.02 -1.26 -5.11 115.26 114.44 1ygw n ASN 9 Ca 0.02 -0.84 -0.04 0.00 -0.03 0.00 0.00 54.58 53.68 1ygw n ASN 9 Cb 0.84 0.00 0.05 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 2.14 1.20 -0.29 0.00 4.01 0.11 -4.84 117.16 119.48 1ygw n TYR 11 Ca 0.09 -1.79 -0.09 0.00 -0.16 0.00 0.00 57.90 55.95 1ygw n TYR 11 Cb 0.65 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 1ygw n TYR 11 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ygw n SER 12 N 0.85 -0.84 0.06 7.72 3.41 -1.26 -2.15 113.62 121.41 1ygw n SER 12 Ca 0.32 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1ygw n SER 12 Cb 0.59 -0.20 0.20 0.00 -0.26 0.00 0.00 64.21 64.54 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ygw n SER 13 N 0.58 0.00 0.14 4.04 3.41 -1.26 0.69 113.62 121.21 1ygw n SER 13 Ca 0.02 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 1ygw n SER 13 Cb 0.11 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.62 4.04 0.87 -1.96 -3.12 113.55 114.00 1ygw h SER 14 Ca 0.22 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.51 1ygw h SER 14 Cb 2.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.20 1ygw h SER 14 CO -0.00 0.30 -1.43 0.44 -0.53 0.00 0.00 176.83 175.62 1ygw h ASP 15 N 0.00 0.16 0.29 6.23 5.19 2.24 -3.21 116.42 127.33 1ygw h ASP 15 Ca -0.03 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1ygw h ASP 15 Cb 1.26 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1ygw h ASP 15 CO 0.03 1.20 -0.14 0.58 -3.12 0.00 0.00 179.24 177.79 1ygw h VAL 16 N 0.03 0.00 -0.85 -1.35 2.07 -0.72 -2.27 116.25 113.17 1ygw h VAL 16 Ca -0.19 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.44 1ygw h VAL 16 Cb 1.94 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.56 1ygw h VAL 16 CO 0.13 0.00 -0.32 -1.28 0.02 0.00 0.00 177.57 176.12 1ygw h SER 17 N -0.43 -1.16 -0.70 0.57 0.87 -1.72 0.44 113.55 111.42 1ygw h SER 17 Ca -0.04 0.27 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 1ygw h SER 17 Cb 0.30 0.64 -0.13 0.00 -0.44 0.00 0.00 62.40 62.76 1ygw h SER 17 CO 0.06 -0.29 -0.25 0.74 -0.53 0.00 0.00 176.83 176.57 1ygw h THR 18 N -0.05 0.21 -0.62 2.23 2.02 -1.54 0.70 112.91 115.87 1ygw h THR 18 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1ygw h THR 18 Cb 0.60 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ygw h THR 18 CO -0.88 0.00 0.39 0.00 0.37 0.00 0.00 175.52 175.40 1ygw h ALA 19 N 1.47 0.79 0.62 6.16 0.00 0.38 -2.97 119.26 125.71 1ygw h ALA 19 Ca 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ygw h ALA 19 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ygw h ALA 19 CO -0.75 0.25 -0.44 1.96 0.00 0.00 0.00 179.25 180.27 1ygw h GLN 20 N 0.84 -0.98 -0.76 0.00 4.20 0.21 -1.63 115.11 116.98 1ygw h GLN 20 Ca 0.22 0.07 0.28 0.00 0.06 0.00 0.00 58.65 59.28 1ygw h GLN 20 Cb -0.05 0.22 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 1ygw h GLN 20 CO -0.04 -0.66 0.46 0.00 -0.67 0.00 0.00 178.83 177.92 1ygw n ALA 21 N -2.70 0.76 0.02 3.87 0.00 0.20 0.31 120.51 122.97 1ygw n ALA 21 Ca -0.13 0.58 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1ygw n ALA 21 Cb 0.45 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 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 1.10 -0.16 -0.62 0.00 0.00 -1.32 0.17 119.26 118.44 1ygw h ALA 22 Ca 0.54 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1ygw h ALA 22 Cb 1.61 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1ygw h ALA 22 CO -0.37 -0.20 0.31 0.78 0.00 0.00 0.00 179.25 179.78 1ygw h GLY 23 N -0.94 0.94 0.63 0.00 0.00 0.47 -2.08 103.07 102.09 1ygw h GLY 23 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1ygw h GLY 23 CO 0.03 0.43 -0.30 -1.82 0.00 0.00 0.00 176.54 174.87 1ygw h TYR 24 N 0.84 -0.79 -0.72 5.60 3.20 0.47 0.25 116.97 125.82 1ygw h TYR 24 Ca 0.21 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.13 1ygw h TYR 24 Cb 0.09 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 1ygw h TYR 24 CO -0.00 -0.49 -0.45 -0.22 -1.64 0.00 0.00 178.16 175.36 1ygw h LYS 25 N -1.20 -0.03 -0.52 1.82 1.63 -0.96 2.89 116.57 120.20 1ygw h LYS 25 Ca -0.09 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.79 1ygw h LYS 25 Cb 0.65 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1ygw h LYS 25 CO 0.14 -0.02 0.35 1.25 -3.45 0.00 0.00 179.45 177.72 1ygw h LEU 26 N -0.03 0.33 0.15 5.20 5.85 -1.45 -0.76 115.31 124.61 1ygw h LEU 26 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ygw h LEU 26 Cb 0.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1ygw h LEU 26 CO -0.69 0.21 -0.07 -0.74 -0.34 0.00 0.00 178.44 176.81 1ygw h HIS 27 N 0.38 -0.19 -0.34 1.25 2.76 0.46 0.36 115.15 119.82 1ygw h HIS 27 Ca 0.23 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.50 1ygw h HIS 27 Cb 0.43 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1ygw h HIS 27 CO -0.00 0.18 0.32 0.93 -1.30 0.00 0.00 177.93 178.05 1ygw h GLU 28 N -0.60 0.00 0.00 5.26 5.08 0.52 0.92 114.58 125.76 1ygw h GLU 28 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ygw h GLU 28 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ygw h GLU 28 CO 0.03 0.00 -0.74 -0.44 -1.00 0.00 0.00 179.01 176.87 1ygw h ASP 29 N 0.00 0.00 -0.53 1.42 5.19 -0.89 -3.48 116.42 118.13 1ygw h ASP 29 Ca 0.16 -0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 1ygw h ASP 29 Cb 0.79 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 1ygw h ASP 29 CO -0.00 0.07 -0.14 0.61 -3.12 0.00 0.00 179.24 176.66 1ygw n GLY 30 N 1.27 0.58 4.01 2.75 0.00 0.32 -5.03 105.19 109.10 1ygw n GLY 30 Ca 0.02 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.21 2.23 0.34 1.61 0.41 0.10 -5.00 118.70 115.19 1ygw s GLU 31 Ca 0.00 -1.78 0.04 0.00 -0.41 0.00 0.00 54.97 52.82 1ygw s GLU 31 Cb 0.00 -2.52 -0.07 0.00 -1.78 0.00 0.00 34.13 29.76 1ygw s GLU 31 CO 0.00 -0.90 0.05 0.95 -0.49 0.00 0.00 175.26 174.87 1ygw s THR 32 N -2.73 1.33 -0.19 3.63 -4.23 -1.26 -4.46 115.64 107.73 1ygw s THR 32 Ca 0.57 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1ygw s THR 32 Cb -0.05 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1ygw s THR 32 CO 0.36 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 174.99 1ygw s VAL 33 N -3.18 2.71 0.00 2.29 -7.23 0.63 -4.96 120.40 110.67 1ygw s VAL 33 Ca 0.36 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1ygw s VAL 33 Cb 0.09 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1ygw s VAL 33 CO 0.16 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 1ygw n GLY 34 N 4.51 0.14 0.04 2.32 0.00 -1.01 -0.83 105.19 110.36 1ygw n GLY 34 Ca -0.19 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 44.94 1ygw n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 35 N 3.19 0.20 -2.99 1.61 7.64 -1.26 -4.87 113.62 117.13 1ygw n SER 35 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1ygw n SER 35 Cb 0.00 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ygw n ASN 36 N -2.37 -0.51 -2.44 6.43 4.13 -1.25 -4.99 115.26 114.26 1ygw n ASN 36 Ca -0.04 -0.25 -0.21 0.00 1.68 0.00 0.00 54.58 55.76 1ygw n ASN 36 Cb 0.58 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.84 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 -1.53 3.88 -4.82 6.41 3.41 -1.26 -4.57 113.62 115.13 1ygw n SER 37 Ca 0.00 -3.39 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 1ygw n SER 37 Cb 0.00 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 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 -3.50 3.37 0.00 7.33 1.51 -1.26 -4.07 117.35 120.73 1ygw s TYR 38 Ca 0.43 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.75 1ygw s TYR 38 Cb 0.41 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1ygw s TYR 38 CO -0.08 0.58 0.00 -0.35 -1.11 0.00 0.00 175.55 174.59 1ygw n PRO 39 N 1.08 0.77 0.00 -1.71 -0.04 -1.26 -0.27 135.00 133.58 1ygw n PRO 39 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ygw n PRO 39 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.56 0.00 -0.96 0.54 1.44 -1.07 -4.97 115.22 109.65 1ygw n HIS 40 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 1ygw n HIS 40 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 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 -0.22 -0.12 -0.04 -1.40 4.81 -1.26 0.72 118.16 120.64 1ygw n LYS 41 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1ygw n LYS 41 Cb 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 -3.00 0.00 0.00 5.64 4.19 -0.17 -4.04 117.16 119.77 1ygw n TYR 42 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1ygw n TYR 42 Cb 0.62 0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.50 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 -4.40 2.98 3.02 -1.26 -4.65 115.26 110.95 1ygw n ASN 43 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1ygw n ASN 43 Cb 0.51 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.02 0.00 6.41 6.94 -1.26 -4.89 115.26 120.44 1ygw n ASN 44 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1ygw n ASN 44 Cb 0.00 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 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 -3.87 0.00 0.26 -2.53 4.01 -1.26 -4.91 117.16 108.85 1ygw n TYR 45 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.83 1ygw n TYR 45 Cb 0.56 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.77 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 3.07 -1.97 -3.41 114.58 111.55 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 -1.35 0.69 3.83 -3.84 0.00 -1.26 -5.12 105.19 98.15 1ygw n GLY 47 Ca -0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.72 3.60 -0.85 1.61 0.08 -1.26 -5.01 117.98 115.43 1ygw s PHE 48 Ca 0.00 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.73 1ygw s PHE 48 Cb 0.00 -2.14 0.34 0.00 -0.57 0.00 0.00 43.02 40.65 1ygw s PHE 48 CO 0.00 0.59 1.61 -0.25 -0.10 0.00 0.00 175.22 177.07 1ygw n ASP 49 N 2.32 6.55 -4.69 1.36 9.92 -1.26 -4.94 116.55 125.81 1ygw n ASP 49 Ca -0.16 -3.72 -0.50 0.00 -0.53 0.00 0.00 54.79 49.88 1ygw n ASP 49 Cb 0.53 -0.96 -0.05 0.00 -0.64 0.00 0.00 41.12 40.00 1ygw n ASP 49 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ygw n PHE 50 N -0.23 2.28 0.14 1.24 3.72 -1.26 -4.76 117.46 118.59 1ygw n PHE 50 Ca 0.44 0.10 0.01 0.00 -0.05 0.00 0.00 57.45 57.95 1ygw n PHE 50 Cb 0.32 -2.63 0.07 0.00 -0.94 0.00 0.00 39.48 36.30 1ygw n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ygw n SER 51 N 6.34 0.00 -4.69 4.37 3.41 -1.26 -4.53 113.62 117.26 1ygw n SER 51 Ca 0.23 0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.56 1ygw n SER 51 Cb 0.26 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.15 3.98 0.89 -3.33 -7.23 -1.26 -5.10 120.40 106.20 1ygw s VAL 52 Ca 0.03 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.06 1ygw s VAL 52 Cb 0.02 -2.91 0.19 0.00 0.56 0.00 0.00 36.38 34.23 1ygw s VAL 52 CO 0.03 0.09 1.21 -0.44 -0.31 0.00 0.00 175.10 175.68 1ygw s SER 53 N -2.39 3.44 0.56 4.85 0.01 -1.26 -5.03 113.70 113.87 1ygw s SER 53 Ca 0.26 -0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.38 1ygw s SER 53 Cb -0.11 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1ygw s SER 53 CO 0.18 -2.50 0.87 -0.94 0.41 0.00 0.00 173.24 171.26 1ygw s SER 54 N -4.88 5.69 1.02 2.44 1.04 -1.26 -4.52 113.70 113.22 1ygw s SER 54 Ca 0.73 0.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.69 1ygw s SER 54 Cb -0.03 -1.74 0.21 0.00 0.10 0.00 0.00 66.02 64.55 1ygw s SER 54 CO 0.50 -0.98 1.19 -2.16 0.98 0.00 0.00 173.24 172.78 1ygw s PRO 55 N -4.92 0.22 -0.15 4.02 0.04 -1.26 -4.88 135.00 128.06 1ygw s PRO 55 Ca 0.53 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1ygw s PRO 55 Cb -0.10 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ygw s PRO 55 CO 0.44 -2.75 -0.16 0.71 0.04 0.00 0.00 177.00 175.28 1ygw s TYR 56 N -3.40 2.77 -0.23 0.56 2.02 -1.21 -3.50 117.35 114.37 1ygw s TYR 56 Ca 0.69 -1.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1ygw s TYR 56 Cb -0.09 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1ygw s TYR 56 CO 0.54 -0.49 -0.02 0.71 -1.57 0.00 0.00 175.55 174.72 1ygw s TYR 57 N 0.82 3.00 0.24 2.71 2.02 5.20 -1.00 117.35 130.34 1ygw s TYR 57 Ca -0.05 -0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 55.44 1ygw s TYR 57 Cb -0.15 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.19 1ygw s TYR 57 CO -0.00 -0.54 1.03 -1.83 -1.57 0.00 0.00 175.55 172.63 1ygw s GLU 58 N 1.49 4.73 -0.26 -0.62 4.04 0.22 0.14 118.70 128.44 1ygw s GLU 58 Ca 0.05 1.64 -0.24 0.00 0.04 0.00 0.00 54.97 56.46 1ygw s GLU 58 Cb -0.15 -3.25 0.07 0.00 0.02 0.00 0.00 34.13 30.82 1ygw s GLU 58 CO -0.02 0.32 0.70 -0.46 -1.84 0.00 0.00 175.26 173.96 1ygw s TRP 59 N -0.96 -0.78 0.23 4.83 -0.11 1.20 -2.58 118.94 120.77 1ygw s TRP 59 Ca 0.44 1.90 -0.30 0.00 1.22 0.00 0.00 56.10 59.36 1ygw s TRP 59 Cb -0.29 0.28 -0.09 0.00 -1.50 0.00 0.00 33.47 31.88 1ygw s TRP 59 CO 0.36 -0.38 1.10 -1.25 -4.62 0.00 0.00 176.95 172.16 1ygw s PRO 60 N 0.42 4.63 -0.34 5.86 0.04 -1.26 0.68 135.00 145.03 1ygw s PRO 60 Ca -0.00 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1ygw s PRO 60 Cb -0.05 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1ygw s PRO 60 CO 0.00 0.16 0.13 -1.50 0.04 0.00 0.00 177.00 175.83 1ygw s ILE 61 N -0.75 4.07 -0.32 0.56 2.07 -0.67 -4.62 121.20 121.54 1ygw s ILE 61 Ca 0.47 -0.94 -0.22 0.00 -1.41 0.00 0.00 60.65 58.55 1ygw s ILE 61 Cb -0.31 -3.24 -0.00 0.00 0.13 0.00 0.00 42.46 39.04 1ygw s ILE 61 CO 0.38 -0.13 0.71 -0.76 -1.91 0.00 0.00 174.94 173.23 1ygw s LEU 62 N 1.47 4.13 0.32 8.50 1.43 -1.26 -4.64 118.68 128.62 1ygw s LEU 62 Ca 0.00 0.50 0.20 0.00 -1.03 0.00 0.00 54.13 53.80 1ygw s LEU 62 Cb -0.19 -2.94 1.09 0.00 0.03 0.00 0.00 46.19 44.18 1ygw s LEU 62 CO 0.04 -0.57 1.60 -0.24 0.23 0.00 0.00 176.35 177.41 1ygw n SER 63 N 6.08 0.52 0.19 2.29 2.88 -1.26 0.48 113.62 124.81 1ygw n SER 63 Ca 0.01 0.73 0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1ygw n SER 63 Cb 0.48 -0.78 0.34 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.69 -3.46 0.02 -2.04 -3.47 113.55 103.92 1ygw h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ygw h SER 64 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ygw h SER 64 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1ygw n GLY 65 N 0.90 0.91 2.22 -3.77 0.00 0.18 -5.08 105.19 100.55 1ygw n GLY 65 Ca 0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 1.32 2.03 -4.09 1.61 8.00 -1.25 -5.06 116.55 119.10 1ygw n ASP 66 Ca 0.00 -2.11 -0.35 0.00 0.71 0.00 0.00 54.79 53.05 1ygw n ASP 66 Cb 0.42 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ygw s VAL 67 N -1.60 2.97 -0.08 2.53 1.01 -1.26 -4.55 120.40 119.42 1ygw s VAL 67 Ca 0.18 -2.09 -0.33 0.00 0.00 0.00 0.00 61.98 59.73 1ygw s VAL 67 Cb -0.01 -3.05 -0.16 0.00 0.00 0.00 0.00 36.38 33.15 1ygw s VAL 67 CO 0.11 -0.62 0.95 0.00 0.00 0.00 0.00 175.10 175.54 1ygw n TYR 68 N 4.50 0.70 -1.99 5.22 9.36 -1.26 -4.83 117.16 128.86 1ygw n TYR 68 Ca -0.01 0.87 -0.32 0.00 3.32 0.00 0.00 57.90 61.76 1ygw n TYR 68 Cb 0.42 -1.71 0.03 0.00 -0.63 0.00 0.00 39.34 37.45 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 1.62 6.21 -0.28 2.98 3.41 -1.26 -4.73 113.62 121.57 1ygw n SER 69 Ca 0.18 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1ygw n SER 69 Cb 0.04 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.63 -3.24 0.00 5.00 0.00 -0.01 -2.40 105.19 103.90 1ygw n GLY 70 Ca 0.49 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.07 -0.17 2.57 -0.02 0.00 -1.26 -4.77 105.19 100.46 1ygw n GLY 71 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 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 2.91 -1.92 1.61 7.64 -1.26 -4.93 113.62 117.67 1ygw n SER 72 Ca 0.00 -3.24 -0.05 0.00 1.01 0.00 0.00 58.87 56.58 1ygw n SER 72 Cb 0.00 -0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ygw n PRO 73 N -0.18 1.18 0.40 1.43 -0.04 -1.26 -4.47 135.00 132.06 1ygw n PRO 73 Ca 0.25 -0.44 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 1ygw n PRO 73 Cb 0.68 -1.57 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1ygw n PRO 73 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ygw h GLY 74 N 4.43 -1.25 0.00 0.55 0.00 -1.99 -3.01 103.07 101.79 1ygw h GLY 74 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1ygw h GLY 74 CO 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 176.54 176.29 1ygw n ALA 75 N -2.67 0.00 -4.03 3.60 0.00 -1.26 -2.73 120.51 113.42 1ygw n ALA 75 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1ygw n ALA 75 Cb 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.75 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 -4.87 3.54 0.01 0.00 1.01 -1.14 -0.36 116.67 114.87 1ygw s ASP 76 Ca 0.00 -0.94 0.01 0.00 0.71 0.00 0.00 52.55 52.32 1ygw s ASP 76 Cb 0.00 -1.33 -0.01 0.00 1.01 0.00 0.00 42.92 42.59 1ygw s ASP 76 CO 0.00 -0.13 -0.03 -0.13 0.21 0.00 0.00 175.17 175.09 1ygw s ARG 77 N 1.33 0.25 0.13 8.23 1.81 -0.22 -1.68 118.95 128.81 1ygw s ARG 77 Ca -0.02 -0.34 0.10 0.00 -1.72 0.00 0.00 55.73 53.75 1ygw s ARG 77 Cb -0.16 -0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 1ygw s ARG 77 CO -0.08 0.01 -0.22 0.14 -0.68 0.00 0.00 175.30 174.47 1ygw s VAL 78 N -0.70 2.58 -0.13 3.52 -7.23 3.17 -0.28 120.40 121.33 1ygw s VAL 78 Ca -0.06 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1ygw s VAL 78 Cb -0.05 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.74 1ygw s VAL 78 CO -0.00 0.07 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.10 1ygw s VAL 79 N -1.18 1.03 0.00 1.32 1.01 0.17 0.38 120.40 123.13 1ygw s VAL 79 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ygw s VAL 79 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1ygw s VAL 79 CO 0.09 0.30 0.00 2.22 0.00 0.00 0.00 175.10 177.71 1ygw n PHE 80 N 4.93 0.00 -3.90 5.22 -1.74 0.38 0.48 117.46 122.83 1ygw n PHE 80 Ca -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.77 1ygw n PHE 80 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 1ygw n PHE 80 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1ygw n ASN 81 N 0.00 0.04 -1.23 5.98 3.02 -0.67 0.88 115.26 123.28 1ygw n ASN 81 Ca 0.00 -0.90 0.01 0.00 -0.03 0.00 0.00 54.58 53.66 1ygw n ASN 81 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ygw n GLU 82 N 0.00 2.67 -0.00 3.52 4.07 -1.26 -3.36 120.64 126.27 1ygw n GLU 82 Ca 0.00 -1.49 0.04 0.00 -0.06 0.00 0.00 57.16 55.65 1ygw n GLU 82 Cb 0.00 -1.82 -0.06 0.00 -0.06 0.00 0.00 31.44 29.50 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1ygw n ASN 83 N 0.21 3.14 0.00 4.31 6.94 -1.26 -4.99 115.26 123.61 1ygw n ASN 83 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1ygw n ASN 83 Cb 0.76 1.36 0.00 0.00 -2.36 0.00 0.00 39.78 39.53 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1ygw n ASN 84 N -1.79 0.00 -4.25 0.53 2.04 -1.21 -5.07 115.26 105.49 1ygw n ASN 84 Ca -0.02 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.73 1ygw n ASN 84 Cb 0.22 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.37 1ygw n ASN 84 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1ygw s GLN 85 N -0.11 2.55 -0.08 -3.83 -0.21 -1.26 -4.91 119.66 111.80 1ygw s GLN 85 Ca 0.00 -1.44 -0.06 0.00 0.02 0.00 0.00 55.36 53.87 1ygw s GLN 85 Cb 0.00 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 1ygw s GLN 85 CO 0.00 -0.91 0.17 -1.17 -2.12 0.00 0.00 175.29 171.26 1ygw s LEU 86 N 1.39 4.39 0.00 2.90 2.96 -1.26 -1.66 118.68 127.40 1ygw s LEU 86 Ca 0.03 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1ygw s LEU 86 Cb -0.22 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1ygw s LEU 86 CO 0.02 0.36 0.00 0.00 -1.32 0.00 0.00 176.35 175.40 1ygw n ALA 87 N 1.67 1.63 -0.18 5.97 0.00 1.73 -4.83 120.51 126.50 1ygw n ALA 87 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ygw n ALA 87 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1ygw n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ygw n GLY 88 N 0.45 0.28 1.74 0.00 0.00 0.60 -4.32 105.19 103.95 1ygw n GLY 88 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ygw n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ygw n VAL 89 N 2.39 2.44 -1.18 1.61 0.31 -1.19 0.45 118.33 123.16 1ygw n VAL 89 Ca 0.00 -1.15 -0.29 0.00 -0.01 0.00 0.00 64.34 62.89 1ygw n VAL 89 Cb 0.00 -1.46 0.20 0.00 -0.91 0.00 0.00 33.84 31.67 1ygw n VAL 89 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ygw s ILE 90 N -1.04 1.87 0.18 2.52 -0.00 0.61 0.36 121.20 125.70 1ygw s ILE 90 Ca 0.19 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.61 1ygw s ILE 90 Cb 0.14 -2.52 0.06 0.00 -0.00 0.00 0.00 42.46 40.14 1ygw s ILE 90 CO -0.01 0.00 0.67 0.28 -0.00 0.00 0.00 174.94 175.88 1ygw s THR 91 N -3.02 0.00 -0.96 8.37 -1.32 -0.18 -1.05 115.64 117.48 1ygw s THR 91 Ca 0.67 -0.32 0.27 0.00 -1.21 0.00 0.00 61.69 61.10 1ygw s THR 91 Cb -0.15 -1.34 0.15 0.00 -1.51 0.00 0.00 72.50 69.65 1ygw s THR 91 CO 0.57 0.00 1.69 1.41 -2.21 0.00 0.00 174.62 176.08 1ygw n HIS 92 N -0.40 0.11 -1.17 9.09 8.25 0.52 -2.81 115.22 128.82 1ygw n HIS 92 Ca -0.12 0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 1ygw n HIS 92 Cb 0.63 -0.45 -0.13 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.60 0.00 -3.72 1.59 -1.04 -1.26 0.87 114.28 109.12 1ygw n THR 93 Ca 0.06 -0.11 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1ygw n THR 93 Cb 0.35 -0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 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 4.85 -0.39 2.82 3.41 0.00 -1.26 -4.65 105.19 109.96 1ygw n GLY 94 Ca 0.52 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.34 3.34 -2.07 4.61 0.00 0.25 -4.36 120.51 118.94 1ygw n ALA 95 Ca 0.08 -1.65 -0.02 0.00 0.00 0.00 0.00 53.44 51.85 1ygw n ALA 95 Cb 0.43 -2.98 -0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 5.06 -0.77 0.00 0.00 2.88 -1.26 -2.28 113.62 117.25 1ygw n SER 96 Ca 0.33 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1ygw n SER 96 Cb 0.14 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.40 0.38 1.01 0.46 0.00 -1.26 -4.66 105.19 100.72 1ygw n GLY 97 Ca 0.01 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 3.09 -4.19 1.61 4.05 -1.24 -4.80 115.26 113.78 1ygw n ASN 98 Ca 0.00 -1.96 -0.29 0.00 0.45 0.00 0.00 54.58 52.79 1ygw n ASN 98 Cb 0.00 -0.14 0.26 0.00 1.23 0.00 0.00 39.78 41.13 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 -1.71 0.47 0.26 1.20 2.20 -0.96 -4.94 114.94 111.45 1ygw s ASN 99 Ca 0.34 1.24 0.12 0.00 -0.94 0.00 0.00 52.86 53.62 1ygw s ASN 99 Cb 0.21 -1.89 -0.05 0.00 -2.00 0.00 0.00 41.25 37.53 1ygw s ASN 99 CO 0.31 -4.48 -0.19 -0.36 -2.94 0.00 0.00 177.10 169.44 1ygw s PHE 100 N -2.48 2.33 -0.29 1.54 0.08 -1.26 -4.42 117.98 113.48 1ygw s PHE 100 Ca 0.68 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.29 1ygw s PHE 100 Cb -0.21 -1.04 0.11 0.00 -0.57 0.00 0.00 43.02 41.32 1ygw s PHE 100 CO 0.62 0.67 0.67 0.14 -0.10 0.00 0.00 175.22 177.21 1ygw s VAL 101 N -2.32 -0.64 -0.10 -0.44 -7.23 -1.12 -4.84 120.40 103.70 1ygw s VAL 101 Ca 0.28 0.00 -0.38 0.00 -1.81 0.00 0.00 61.98 60.08 1ygw s VAL 101 Cb -0.06 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.73 1ygw s VAL 101 CO 0.14 0.00 1.64 -1.84 -0.31 0.00 0.00 175.10 174.74 1ygw n GLU 102 N 5.04 1.43 -0.61 4.82 0.28 -1.26 -1.01 120.64 129.34 1ygw n GLU 102 Ca -0.15 0.52 -0.27 0.00 -0.16 0.00 0.00 57.16 57.10 1ygw n GLU 102 Cb 0.53 -2.23 0.16 0.00 1.43 0.00 0.00 31.44 31.33 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97