#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 1.49 0.18 -3.57 0.00 9.92 -1.26 -4.77 116.55 118.54 1ygw n ASP 3 Ca 0.17 -0.51 -0.28 0.00 -0.53 0.00 0.00 54.79 53.64 1ygw n ASP 3 Cb 0.04 0.45 -0.11 0.00 -0.64 0.00 0.00 41.12 40.85 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 -0.45 1.67 -0.55 1.24 2.02 -1.23 -4.74 117.35 115.31 1ygw s TYR 4 Ca 0.00 -2.41 -0.20 0.00 -0.37 0.00 0.00 57.07 54.10 1ygw s TYR 4 Cb 0.00 -1.45 0.07 0.00 -0.40 0.00 0.00 41.96 40.18 1ygw s TYR 4 CO 0.00 -0.77 0.70 0.99 -1.57 0.00 0.00 175.55 174.90 1ygw s THR 5 N 0.03 4.79 -1.54 -0.71 2.01 -1.20 -3.33 115.64 115.69 1ygw s THR 5 Ca 0.25 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1ygw s THR 5 Cb -0.09 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 1ygw s THR 5 CO -0.11 -0.98 2.67 0.00 -0.69 0.00 0.00 174.62 175.51 1ygw n GLY 7 N 3.51 0.84 2.56 0.00 0.00 -1.26 -3.97 105.19 106.87 1ygw n GLY 7 Ca 0.69 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 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 1.93 2.72 -2.14 1.61 3.41 -1.26 -5.07 113.62 114.82 1ygw n SER 8 Ca 0.00 -3.19 -0.10 0.00 -0.26 0.00 0.00 58.87 55.33 1ygw n SER 8 Cb 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 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 -0.16 -0.42 -2.66 4.04 3.02 -1.25 -5.01 115.26 112.82 1ygw n ASN 9 Ca 0.23 -2.11 -0.03 0.00 -0.03 0.00 0.00 54.58 52.64 1ygw n ASN 9 Cb 0.69 0.94 0.11 0.00 -0.61 0.00 0.00 39.78 40.92 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 2.34 1.12 0.00 -0.85 -1.21 -4.50 117.35 114.28 1ygw s TYR 11 Ca 0.20 -2.29 -0.19 0.00 -0.52 0.00 0.00 57.07 54.27 1ygw s TYR 11 Cb 0.30 -2.10 0.28 0.00 0.38 0.00 0.00 41.96 40.81 1ygw s TYR 11 CO -0.20 -0.86 0.82 -1.13 -1.52 0.00 0.00 175.55 172.65 1ygw n SER 12 N 4.27 -2.81 0.25 -0.18 3.41 -1.26 -3.85 113.62 113.44 1ygw n SER 12 Ca 0.03 -0.90 0.10 0.00 -0.26 0.00 0.00 58.87 57.84 1ygw n SER 12 Cb 0.39 -0.83 0.56 0.00 -0.26 0.00 0.00 64.21 64.07 1ygw n SER 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ygw h SER 13 N -2.88 0.00 0.93 4.04 4.64 -1.92 1.37 113.55 119.74 1ygw h SER 13 Ca -0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.77 1ygw h SER 13 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1ygw h SER 13 CO 0.21 0.00 -1.08 -1.28 -0.87 0.00 0.00 176.83 173.81 1ygw h SER 14 N 0.00 0.01 0.14 4.97 0.87 -1.95 -2.91 113.55 114.68 1ygw h SER 14 Ca 0.00 -0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 1ygw h SER 14 Cb 0.69 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1ygw h SER 14 CO 0.00 1.01 -1.19 0.44 -0.53 0.00 0.00 176.83 176.56 1ygw h ASP 15 N 0.00 0.47 -0.41 6.23 5.19 0.15 -3.34 116.42 124.71 1ygw h ASP 15 Ca -0.04 -0.90 0.07 0.00 -0.62 0.00 0.00 57.03 55.54 1ygw h ASP 15 Cb 1.80 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 41.10 1ygw h ASP 15 CO 0.13 1.54 0.03 0.58 -3.12 0.00 0.00 179.24 178.40 1ygw h VAL 16 N -0.28 0.72 -0.86 -1.35 2.07 -1.09 -2.01 116.25 113.46 1ygw h VAL 16 Ca -0.24 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1ygw h VAL 16 Cb 1.76 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 31.97 1ygw h VAL 16 CO 0.12 0.03 -0.38 -0.24 0.02 0.00 0.00 177.57 177.12 1ygw n SER 17 N -5.16 -0.64 -0.21 0.57 2.88 -1.10 0.15 113.62 110.11 1ygw n SER 17 Ca 0.03 1.50 -0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1ygw n SER 17 Cb 0.21 -0.31 0.07 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.39 -0.74 2.46 2.02 -1.51 0.65 112.91 116.18 1ygw h THR 18 Ca 0.26 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1ygw h THR 18 Cb 0.48 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1ygw h THR 18 CO -0.84 0.00 0.39 0.00 0.37 0.00 0.00 175.52 175.44 1ygw h ALA 19 N 1.61 0.95 0.53 6.16 0.00 0.14 -2.94 119.26 125.71 1ygw h ALA 19 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ygw h ALA 19 Cb 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ygw h ALA 19 CO -0.63 0.49 -0.28 1.96 0.00 0.00 0.00 179.25 180.79 1ygw h GLN 20 N 1.03 -0.73 -1.04 0.00 4.20 0.34 -1.82 115.11 117.09 1ygw h GLN 20 Ca 0.26 0.05 0.37 0.00 0.06 0.00 0.00 58.65 59.39 1ygw h GLN 20 Cb 0.07 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 27.90 1ygw h GLN 20 CO -0.04 -0.48 0.65 0.00 -0.67 0.00 0.00 178.83 178.29 1ygw n ALA 21 N -2.46 1.04 -0.01 3.87 0.00 0.19 0.24 120.51 123.38 1ygw n ALA 21 Ca -0.12 0.71 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 1ygw n ALA 21 Cb 0.32 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 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 1.32 -0.09 -0.99 0.00 0.00 -1.34 -0.87 119.26 117.31 1ygw h ALA 22 Ca 0.70 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.49 1ygw h ALA 22 Cb 2.17 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 1ygw h ALA 22 CO -0.41 -0.17 0.59 0.78 0.00 0.00 0.00 179.25 180.04 1ygw h GLY 23 N -0.86 1.73 0.00 0.00 0.00 0.38 0.90 103.07 105.22 1ygw h GLY 23 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ygw h GLY 23 CO 0.01 -0.04 0.00 2.98 0.00 0.00 0.00 176.54 179.49 1ygw n TYR 24 N -4.77 0.00 -0.28 5.60 9.36 0.18 -0.46 117.16 126.78 1ygw n TYR 24 Ca 0.22 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.48 1ygw n TYR 24 Cb 0.54 -0.43 0.09 0.00 -0.63 0.00 0.00 39.34 38.91 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 -1.80 -0.09 -0.02 2.98 3.00 -0.33 0.43 118.16 122.33 1ygw n LYS 25 Ca 0.00 1.19 -0.06 0.00 -0.00 0.00 0.00 58.31 59.44 1ygw n LYS 25 Cb 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 35.03 33.38 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 0.62 -0.34 3.14 5.85 -0.93 -1.22 115.31 122.42 1ygw h LEU 26 Ca 0.35 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1ygw h LEU 26 Cb 0.54 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1ygw h LEU 26 CO -0.78 0.88 0.02 -0.74 -0.34 0.00 0.00 178.44 177.48 1ygw h HIS 27 N 0.51 0.63 0.00 1.25 2.76 1.16 0.54 115.15 122.01 1ygw h HIS 27 Ca 0.06 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 1ygw h HIS 27 Cb 0.78 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1ygw h HIS 27 CO 0.03 0.68 -0.22 1.05 -1.30 0.00 0.00 177.93 178.18 1ygw h GLU 28 N 0.40 0.00 0.00 5.26 4.11 0.32 -0.80 114.58 123.87 1ygw h GLU 28 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1ygw h GLU 28 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ygw h GLU 28 CO 0.01 0.22 -0.14 -0.44 0.07 0.00 0.00 179.01 178.73 1ygw h ASP 29 N 0.00 0.00 -0.44 3.06 5.19 -0.75 -3.47 116.42 120.01 1ygw h ASP 29 Ca -0.00 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1ygw h ASP 29 Cb 0.43 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 1ygw h ASP 29 CO 0.03 0.00 -0.12 0.61 -3.12 0.00 0.00 179.24 176.64 1ygw n GLY 30 N 1.13 0.62 4.02 2.75 0.00 0.06 -5.03 105.19 108.76 1ygw n GLY 30 Ca 0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.02 1.97 0.33 1.61 0.41 -0.50 -5.03 118.70 114.47 1ygw s GLU 31 Ca 0.00 -1.52 0.04 0.00 -0.41 0.00 0.00 54.97 53.08 1ygw s GLU 31 Cb 0.00 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 1ygw s GLU 31 CO 0.00 -1.18 0.16 0.95 -0.49 0.00 0.00 175.26 174.71 1ygw s THR 32 N -2.89 0.38 0.18 3.63 -4.23 -1.26 -4.37 115.64 107.08 1ygw s THR 32 Ca 0.65 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 1ygw s THR 32 Cb -0.05 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1ygw s THR 32 CO 0.42 0.00 -0.06 0.68 -0.54 0.00 0.00 174.62 175.12 1ygw s VAL 33 N -3.50 1.06 0.00 2.29 -7.23 -0.22 -4.96 120.40 107.84 1ygw s VAL 33 Ca 0.34 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1ygw s VAL 33 Cb 0.04 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1ygw s VAL 33 CO 0.18 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1ygw n GLY 34 N -0.27 0.91 1.94 2.32 0.00 -1.23 -2.71 105.19 106.15 1ygw n GLY 34 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.43 5.16 -1.02 1.61 3.41 -1.17 -4.92 113.62 113.26 1ygw n SER 35 Ca 0.00 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1ygw n SER 35 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 0.19 1.43 -2.06 4.04 4.13 -1.10 -5.06 115.26 116.83 1ygw n ASN 36 Ca 0.35 -0.51 -0.23 0.00 1.68 0.00 0.00 54.58 55.86 1ygw n ASN 36 Cb 1.29 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 39.55 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 -0.80 4.83 -4.89 6.41 3.41 -1.26 -4.43 113.62 116.88 1ygw n SER 37 Ca 0.00 -3.70 -0.32 0.00 -0.26 0.00 0.00 58.87 54.59 1ygw n SER 37 Cb 0.00 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.55 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 -3.60 3.46 0.02 7.33 1.51 -1.26 -4.19 117.35 120.62 1ygw s TYR 38 Ca 0.50 0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1ygw s TYR 38 Cb 0.41 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1ygw s TYR 38 CO 0.03 0.39 0.02 -0.35 -1.11 0.00 0.00 175.55 174.53 1ygw n PRO 39 N 0.01 -0.52 0.00 -1.71 -0.04 -1.26 -1.05 135.00 130.43 1ygw n PRO 39 Ca -0.02 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ygw n PRO 39 Cb 0.52 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.28 0.00 -0.80 0.54 1.44 -1.09 -4.95 115.22 108.07 1ygw n HIS 40 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.37 1ygw n HIS 40 Cb 0.01 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.24 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 -0.04 -0.91 -0.12 -1.40 3.00 -1.26 0.25 118.16 117.68 1ygw n LYS 41 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1ygw n LYS 41 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ygw n TYR 42 N -3.96 0.00 0.00 5.64 4.19 0.62 -3.73 117.16 119.92 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 0.65 0.09 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 -4.34 2.98 5.03 -1.26 -4.71 115.26 112.96 1ygw n ASN 43 Ca 0.00 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 1ygw n ASN 43 Cb 0.52 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.54 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ygw n ASN 44 N 0.00 -2.17 0.00 6.41 6.94 -1.26 -4.90 115.26 120.29 1ygw n ASN 44 Ca 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 1ygw n ASN 44 Cb 0.00 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.24 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 -5.03 -0.03 0.20 -2.53 4.02 -1.26 -4.94 117.16 107.60 1ygw n TYR 45 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 1ygw n TYR 45 Cb 0.56 0.01 0.24 0.00 -0.02 0.00 0.00 39.34 40.12 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 -1.94 -3.40 114.58 112.91 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 -1.51 0.62 3.67 -3.84 0.00 -1.26 -5.13 105.19 97.74 1ygw n GLY 47 Ca 0.05 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.17 3.28 -1.09 1.61 0.08 -1.26 -5.03 117.98 115.40 1ygw s PHE 48 Ca 0.00 0.14 -0.05 0.00 0.12 0.00 0.00 56.93 57.13 1ygw s PHE 48 Cb 0.00 -2.03 0.30 0.00 -0.57 0.00 0.00 43.02 40.72 1ygw s PHE 48 CO 0.00 0.25 1.41 -0.25 -0.10 0.00 0.00 175.22 176.53 1ygw n ASP 49 N 3.21 6.19 -4.64 1.36 8.00 -1.26 -4.91 116.55 124.51 1ygw n ASP 49 Ca -0.17 -3.32 -0.43 0.00 0.71 0.00 0.00 54.79 51.58 1ygw n ASP 49 Cb 0.53 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 40.30 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ygw s PHE 50 N -2.37 2.66 -0.29 1.24 0.08 -1.26 -4.86 117.98 113.19 1ygw s PHE 50 Ca 0.31 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.23 1ygw s PHE 50 Cb 0.01 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1ygw s PHE 50 CO 0.06 -1.88 0.60 -1.13 -0.10 0.00 0.00 175.22 172.78 1ygw n SER 51 N 7.40 1.70 -4.08 1.36 3.41 -1.26 -4.67 113.62 117.48 1ygw n SER 51 Ca 0.15 -1.40 -0.16 0.00 -0.26 0.00 0.00 58.87 57.20 1ygw n SER 51 Cb 0.46 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.07 0.73 -0.00 -3.33 -7.23 -1.26 -5.05 120.40 104.19 1ygw s VAL 52 Ca 0.00 -0.97 -0.21 0.00 -1.81 0.00 0.00 61.98 59.00 1ygw s VAL 52 Cb 0.00 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1ygw s VAL 52 CO 0.00 -0.20 0.60 -0.44 -0.31 0.00 0.00 175.10 174.75 1ygw s SER 53 N -1.29 6.98 0.95 4.85 0.01 -1.26 -4.99 113.70 118.95 1ygw s SER 53 Ca -0.04 1.17 -0.20 0.00 1.31 0.00 0.00 55.95 58.18 1ygw s SER 53 Cb -0.08 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1ygw s SER 53 CO 0.01 0.10 -0.81 -1.54 0.41 0.00 0.00 173.24 171.41 1ygw n SER 54 N 2.73 -2.72 -4.80 2.44 3.41 -1.26 -4.38 113.62 109.04 1ygw n SER 54 Ca -0.07 -0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.14 1ygw n SER 54 Cb 0.51 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.45 3.72 -0.38 4.33 0.04 -1.26 -4.65 135.00 134.34 1ygw s PRO 55 Ca 0.35 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1ygw s PRO 55 Cb 0.03 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ygw s PRO 55 CO 0.53 -0.49 0.64 0.71 0.04 0.00 0.00 177.00 178.43 1ygw s TYR 56 N -2.10 3.12 -0.22 0.56 2.02 -1.26 -3.04 117.35 116.43 1ygw s TYR 56 Ca 0.66 0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.48 1ygw s TYR 56 Cb -0.16 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1ygw s TYR 56 CO 0.23 -0.70 0.29 0.71 -1.57 0.00 0.00 175.55 174.51 1ygw s TYR 57 N 2.76 3.34 -0.03 2.71 2.02 7.43 0.23 117.35 135.81 1ygw s TYR 57 Ca 0.24 0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 57.17 1ygw s TYR 57 Cb -0.14 -2.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.96 1ygw s TYR 57 CO 0.16 0.01 0.55 -1.83 -1.57 0.00 0.00 175.55 172.88 1ygw s GLU 58 N 1.24 4.29 -0.18 -0.62 4.04 0.69 0.21 118.70 128.35 1ygw s GLU 58 Ca 0.13 0.65 -0.15 0.00 0.04 0.00 0.00 54.97 55.64 1ygw s GLU 58 Cb -0.14 -3.35 0.05 0.00 0.02 0.00 0.00 34.13 30.71 1ygw s GLU 58 CO 0.06 0.35 0.48 -0.46 -1.84 0.00 0.00 175.26 173.85 1ygw s TRP 59 N -0.07 -0.58 0.46 4.83 -0.11 0.58 -2.67 118.94 121.39 1ygw s TRP 59 Ca 0.29 1.34 -0.21 0.00 1.22 0.00 0.00 56.10 58.75 1ygw s TRP 59 Cb -0.17 0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 31.94 1ygw s TRP 59 CO 0.15 -0.29 1.04 -1.25 -4.62 0.00 0.00 176.95 171.99 1ygw s PRO 60 N 0.58 3.89 -0.19 5.86 0.04 -1.26 0.54 135.00 144.46 1ygw s PRO 60 Ca -0.03 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1ygw s PRO 60 Cb -0.05 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1ygw s PRO 60 CO -0.03 -0.36 -0.09 -1.50 0.04 0.00 0.00 177.00 175.06 1ygw s ILE 61 N -1.90 3.10 -0.32 0.56 2.07 -1.19 -4.52 121.20 119.00 1ygw s ILE 61 Ca 0.65 -0.60 -0.20 0.00 -1.41 0.00 0.00 60.65 59.08 1ygw s ILE 61 Cb -0.18 -2.36 -0.01 0.00 0.13 0.00 0.00 42.46 40.04 1ygw s ILE 61 CO 0.22 0.47 0.62 -0.76 -1.91 0.00 0.00 174.94 173.58 1ygw s LEU 62 N 1.09 4.17 0.57 8.50 1.43 -1.26 -4.62 118.68 128.55 1ygw s LEU 62 Ca 0.01 0.35 0.25 0.00 -1.03 0.00 0.00 54.13 53.71 1ygw s LEU 62 Cb -0.15 -2.80 1.36 0.00 0.03 0.00 0.00 46.19 44.64 1ygw s LEU 62 CO -0.02 -0.50 1.74 0.77 0.23 0.00 0.00 176.35 178.57 1ygw h SER 63 N 8.25 0.00 1.52 2.29 4.64 -1.94 1.63 113.55 129.94 1ygw h SER 63 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ygw h SER 63 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ygw h SER 63 CO 0.81 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 177.05 1ygw h SER 64 N 0.00 0.00 -0.28 4.97 0.02 -2.00 -3.47 113.55 112.78 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 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 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 1.01 0.78 1.60 -3.77 0.00 0.56 -5.07 105.19 100.28 1ygw n GLY 65 Ca 0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 1.49 1.71 -4.33 1.61 8.00 -1.24 -4.97 116.55 118.82 1ygw n ASP 66 Ca 0.00 -1.79 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 1ygw n ASP 66 Cb 0.41 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.13 4.44 -0.99 2.53 1.01 -1.26 -4.29 120.40 120.71 1ygw s VAL 67 Ca 0.13 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1ygw s VAL 67 Cb -0.01 -3.58 -0.28 0.00 0.00 0.00 0.00 36.38 32.51 1ygw s VAL 67 CO 0.08 -0.36 2.42 0.00 0.00 0.00 0.00 175.10 177.25 1ygw n TYR 68 N 4.97 0.30 -1.17 5.22 9.36 -1.26 -4.64 117.16 129.94 1ygw n TYR 68 Ca -0.11 0.18 0.09 0.00 3.32 0.00 0.00 57.90 61.38 1ygw n TYR 68 Cb 0.45 -1.45 0.15 0.00 -0.63 0.00 0.00 39.34 37.86 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 8.19 2.24 0.00 2.98 3.41 -1.26 -4.54 113.62 124.64 1ygw n SER 69 Ca 0.66 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1ygw n SER 69 Cb 0.10 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.37 -0.39 0.00 5.00 0.00 -1.26 -3.77 105.19 103.40 1ygw n GLY 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 2.22 1.44 2.79 -0.02 0.00 -1.26 -3.05 105.19 107.30 1ygw n GLY 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 72 N 0.00 1.34 0.00 1.61 2.88 -1.26 -4.73 113.62 113.46 1ygw n SER 72 Ca 0.00 -2.18 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 1ygw n SER 72 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ygw n PRO 73 N -0.53 0.00 0.00 -1.46 -0.04 -1.26 -4.88 135.00 126.83 1ygw n PRO 73 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ygw n PRO 73 Cb 0.81 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.27 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 3.11 2.23 0.00 0.55 0.00 -1.26 -4.69 105.19 105.14 1ygw n GLY 74 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.58 0.00 -1.69 4.61 0.00 -1.26 -4.19 120.51 118.56 1ygw n ALA 75 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1ygw n ALA 75 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ygw n ASP 76 N 0.00 3.79 -3.68 0.00 8.00 -1.26 -2.78 116.55 120.62 1ygw n ASP 76 Ca 0.00 1.02 -0.14 0.00 0.71 0.00 0.00 54.79 56.39 1ygw n ASP 76 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.50 1ygw n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ygw s ARG 77 N 2.06 0.66 0.02 -1.24 1.81 -0.69 -3.18 118.95 118.39 1ygw s ARG 77 Ca 0.80 0.78 0.03 0.00 -1.72 0.00 0.00 55.73 55.63 1ygw s ARG 77 Cb -0.55 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1ygw s ARG 77 CO 0.37 -0.08 -0.03 0.14 -0.68 0.00 0.00 175.30 175.02 1ygw s VAL 78 N 0.29 3.90 -0.02 3.52 -7.23 2.13 -1.28 120.40 121.70 1ygw s VAL 78 Ca -0.00 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1ygw s VAL 78 Cb -0.04 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1ygw s VAL 78 CO 0.01 0.32 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.21 1ygw s VAL 79 N -1.10 1.72 0.16 1.32 1.01 -1.26 0.22 120.40 122.47 1ygw s VAL 79 Ca 0.20 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1ygw s VAL 79 Cb -0.11 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1ygw s VAL 79 CO 0.11 0.49 0.44 0.72 0.00 0.00 0.00 175.10 176.86 1ygw s PHE 80 N -0.47 -0.09 0.00 5.22 -0.71 0.56 0.86 117.98 123.35 1ygw s PHE 80 Ca 0.07 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 1ygw s PHE 80 Cb -0.09 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 1ygw s PHE 80 CO -0.00 -0.81 0.00 0.27 -1.34 0.00 0.00 175.22 173.34 1ygw n ASN 81 N -0.28 0.00 -0.24 1.98 0.23 -1.17 1.05 115.26 116.83 1ygw n ASN 81 Ca -0.12 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.87 1ygw n ASN 81 Cb 0.63 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.27 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ygw n GLU 82 N 0.00 -0.25 0.00 -3.83 2.13 -1.25 -4.57 120.64 112.87 1ygw n GLU 82 Ca 0.00 1.08 0.00 0.00 0.66 0.00 0.00 57.16 58.90 1ygw n GLU 82 Cb 0.00 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.12 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 -4.38 0.00 -0.97 4.31 2.04 -1.26 -4.91 115.26 110.08 1ygw n ASN 83 Ca 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 1ygw n ASN 83 Cb 0.15 0.07 0.10 0.00 -2.53 0.00 0.00 39.78 37.58 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 -1.16 2.49 -0.97 0.53 0.23 -1.26 -4.19 115.26 110.94 1ygw n ASN 84 Ca 0.00 -2.30 -0.01 0.00 -0.53 0.00 0.00 54.58 51.74 1ygw n ASN 84 Cb 0.00 -0.56 0.01 0.00 -2.08 0.00 0.00 39.78 37.15 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 0.15 1.12 -0.35 -3.83 -0.00 -1.26 -4.93 117.38 108.28 1ygw n GLN 85 Ca 0.09 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.00 56.76 1ygw n GLN 85 Cb 0.57 -1.18 -0.02 0.00 -0.00 0.00 0.00 30.24 29.61 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ygw n LEU 86 N 0.32 0.24 -0.03 2.61 0.00 -1.26 -3.66 117.00 115.21 1ygw n LEU 86 Ca 0.03 0.23 -0.16 0.00 0.00 0.00 0.00 56.01 56.11 1ygw n LEU 86 Cb 0.52 -0.19 -0.08 0.00 0.00 0.00 0.00 43.42 43.67 1ygw n LEU 86 CO 0.04 -0.18 0.35 0.00 0.00 0.00 0.00 177.39 177.60 1ygw h ALA 87 N 1.25 0.24 0.00 1.96 0.00 3.62 -3.43 119.26 122.90 1ygw h ALA 87 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ygw h ALA 87 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ygw h ALA 87 CO 0.21 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1ygw n GLY 88 N 0.68 -0.78 2.73 0.00 0.00 -1.19 -4.25 105.19 102.38 1ygw n GLY 88 Ca -0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.63 -0.29 0.62 1.61 1.01 -1.26 -4.00 120.40 114.45 1ygw s VAL 89 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 1ygw s VAL 89 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1ygw s VAL 89 CO 0.00 -0.61 0.93 0.27 0.00 0.00 0.00 175.10 175.69 1ygw s ILE 90 N 1.49 3.37 0.07 2.22 -4.36 -0.41 0.57 121.20 124.16 1ygw s ILE 90 Ca 0.16 -0.02 -0.26 0.00 -0.26 0.00 0.00 60.65 60.27 1ygw s ILE 90 Cb -0.16 -3.36 0.08 0.00 1.25 0.00 0.00 42.46 40.27 1ygw s ILE 90 CO -0.06 -0.38 0.70 0.28 0.24 0.00 0.00 174.94 175.71 1ygw s THR 91 N -3.06 0.00 -2.13 8.37 -1.32 0.59 -1.71 115.64 116.38 1ygw s THR 91 Ca 0.55 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.30 1ygw s THR 91 Cb -0.11 -1.00 0.69 0.00 -1.51 0.00 0.00 72.50 70.57 1ygw s THR 91 CO 0.45 0.00 1.92 1.41 -2.21 0.00 0.00 174.62 176.19 1ygw n HIS 92 N -0.10 0.02 -1.41 9.09 8.25 -1.12 -2.29 115.22 127.67 1ygw n HIS 92 Ca -0.15 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.07 1ygw n HIS 92 Cb 0.63 0.00 -0.21 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.56 0.00 -3.39 1.59 -1.04 -1.26 -1.27 114.28 108.34 1ygw n THR 93 Ca 0.19 -0.41 -0.25 0.00 -2.04 0.00 0.00 64.05 61.55 1ygw n THR 93 Cb 0.17 -0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 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 5.31 -0.22 0.00 3.41 0.00 -1.26 -4.63 105.19 107.80 1ygw n GLY 94 Ca 0.64 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.75 1.25 -0.31 4.61 0.00 -0.40 -4.76 120.51 118.16 1ygw n ALA 95 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ygw n ALA 95 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.47 -0.29 0.00 0.00 2.88 -1.26 -4.69 113.62 108.78 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 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.13 0.11 0.84 0.46 0.00 -1.26 -4.52 105.19 100.69 1ygw n GLY 97 Ca 0.00 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 2.54 -4.72 1.61 4.05 -1.26 -4.94 115.26 112.55 1ygw n ASN 98 Ca 0.00 -1.84 -0.31 0.00 0.45 0.00 0.00 54.58 52.88 1ygw n ASN 98 Cb 0.00 -0.13 0.13 0.00 1.23 0.00 0.00 39.78 41.01 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 -1.66 3.63 0.30 1.20 6.03 -1.26 -5.00 114.94 118.18 1ygw s ASN 99 Ca 0.35 2.05 0.10 0.00 -1.03 0.00 0.00 52.86 54.32 1ygw s ASN 99 Cb 0.20 -2.55 -0.05 0.00 -3.03 0.00 0.00 41.25 35.83 1ygw s ASN 99 CO 0.30 -2.63 -0.02 -0.36 -2.03 0.00 0.00 177.10 172.36 1ygw s PHE 100 N -2.72 2.59 -0.28 1.54 0.08 -1.26 -4.49 117.98 113.44 1ygw s PHE 100 Ca 0.65 -0.31 -0.20 0.00 0.12 0.00 0.00 56.93 57.18 1ygw s PHE 100 Cb -0.21 -1.28 0.08 0.00 -0.57 0.00 0.00 43.02 41.05 1ygw s PHE 100 CO 0.56 0.57 0.75 0.14 -0.10 0.00 0.00 175.22 177.15 1ygw s VAL 101 N -2.42 0.00 -0.01 -0.44 -7.23 -0.97 -4.87 120.40 104.47 1ygw s VAL 101 Ca 0.33 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.14 1ygw s VAL 101 Cb -0.04 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.76 1ygw s VAL 101 CO 0.19 0.00 1.67 -0.62 -0.31 0.00 0.00 175.10 176.03 1ygw n GLU 102 N 3.44 1.83 0.00 4.82 1.02 -1.25 -0.30 120.64 130.21 1ygw n GLU 102 Ca -0.17 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1ygw n GLU 102 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31