#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 4.95 0.05 -3.64 0.00 8.00 -1.26 -4.69 116.55 119.96 1ygw n ASP 3 Ca -0.13 -0.44 -0.29 0.00 0.71 0.00 0.00 54.79 54.64 1ygw n ASP 3 Cb 0.52 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ygw s TYR 4 N -0.08 1.42 -0.47 1.24 2.02 -1.22 -4.83 117.35 115.43 1ygw s TYR 4 Ca 0.00 -1.84 -0.15 0.00 -0.37 0.00 0.00 57.07 54.71 1ygw s TYR 4 Cb 0.00 -1.50 0.08 0.00 -0.40 0.00 0.00 41.96 40.14 1ygw s TYR 4 CO 0.00 -0.83 0.38 0.99 -1.57 0.00 0.00 175.55 174.52 1ygw s THR 5 N 1.13 5.10 -1.51 -0.71 2.01 0.16 -2.73 115.64 119.09 1ygw s THR 5 Ca 0.14 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.89 1ygw s THR 5 Cb -0.21 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1ygw s THR 5 CO -0.12 -0.59 2.56 0.00 -0.69 0.00 0.00 174.62 175.78 1ygw n GLY 7 N 3.58 0.92 2.57 0.00 0.00 -1.26 -3.98 105.19 107.00 1ygw n GLY 7 Ca 0.64 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.49 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 2.07 2.47 -2.21 1.61 3.41 -1.26 -5.07 113.62 114.63 1ygw n SER 8 Ca 0.00 -3.10 -0.11 0.00 -0.26 0.00 0.00 58.87 55.41 1ygw n SER 8 Cb 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.14 -0.39 -2.66 4.04 3.02 -1.26 -4.98 115.26 112.89 1ygw n ASN 9 Ca 0.21 -2.19 -0.03 0.00 -0.03 0.00 0.00 54.58 52.54 1ygw n ASN 9 Cb 0.72 0.91 0.11 0.00 -0.61 0.00 0.00 39.78 40.91 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 2.80 1.38 0.00 -0.85 -1.10 -4.39 117.35 115.23 1ygw s TYR 11 Ca 0.19 -2.45 -0.22 0.00 -0.52 0.00 0.00 57.07 54.07 1ygw s TYR 11 Cb 0.29 -2.37 0.35 0.00 0.38 0.00 0.00 41.96 40.61 1ygw s TYR 11 CO -0.19 -0.91 0.97 -1.54 -1.52 0.00 0.00 175.55 172.37 1ygw s SER 12 N 1.14 -0.66 0.45 -0.18 1.04 -1.25 -3.70 113.70 110.55 1ygw s SER 12 Ca 0.11 0.78 0.18 0.00 0.48 0.00 0.00 55.95 57.50 1ygw s SER 12 Cb -0.19 -1.09 0.97 0.00 0.10 0.00 0.00 66.02 65.81 1ygw s SER 12 CO -0.15 -5.11 1.48 0.77 0.98 0.00 0.00 173.24 171.22 1ygw h SER 13 N -3.25 0.00 0.91 7.02 4.64 -1.96 1.57 113.55 122.48 1ygw h SER 13 Ca -0.43 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1ygw h SER 13 CO 0.29 0.00 -1.14 -1.28 -0.87 0.00 0.00 176.83 173.83 1ygw h SER 14 N 0.00 0.00 0.24 4.97 0.87 -1.96 -3.03 113.55 114.64 1ygw h SER 14 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1ygw h SER 14 Cb 0.70 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1ygw h SER 14 CO 0.00 0.94 -1.66 0.44 -0.53 0.00 0.00 176.83 176.02 1ygw h ASP 15 N 0.00 0.65 -0.40 6.23 5.19 0.19 -3.34 116.42 124.94 1ygw h ASP 15 Ca -0.08 -0.88 0.05 0.00 -0.62 0.00 0.00 57.03 55.50 1ygw h ASP 15 Cb 1.79 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 41.04 1ygw h ASP 15 CO 0.11 1.73 0.15 0.58 -3.12 0.00 0.00 179.24 178.68 1ygw h VAL 16 N 0.11 0.88 -0.88 -1.35 2.07 -1.04 -2.07 116.25 113.98 1ygw h VAL 16 Ca -0.31 -0.11 0.17 0.00 0.82 0.00 0.00 66.70 67.27 1ygw h VAL 16 Cb 2.11 0.55 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 1ygw h VAL 16 CO 0.20 0.06 -0.23 -0.24 0.02 0.00 0.00 177.57 177.37 1ygw n SER 17 N -5.01 -0.35 -0.03 0.57 2.88 -1.15 0.82 113.62 111.36 1ygw n SER 17 Ca 0.02 1.51 -0.11 0.00 -1.33 0.00 0.00 58.87 58.97 1ygw n SER 17 Cb 0.14 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.19 -0.76 2.46 2.02 -1.54 0.59 112.91 115.87 1ygw h THR 18 Ca 0.41 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.65 1ygw h THR 18 Cb 0.63 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1ygw h THR 18 CO -0.90 0.00 0.45 0.00 0.37 0.00 0.00 175.52 175.44 1ygw h ALA 19 N 0.33 1.04 0.29 6.16 0.00 0.39 -2.39 119.26 125.08 1ygw h ALA 19 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ygw h ALA 19 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ygw h ALA 19 CO -0.43 0.15 -0.27 1.96 0.00 0.00 0.00 179.25 180.66 1ygw h GLN 20 N 0.81 -0.56 -1.02 0.00 4.20 0.13 -1.35 115.11 117.32 1ygw h GLN 20 Ca 0.34 0.04 0.37 0.00 0.06 0.00 0.00 58.65 59.46 1ygw h GLN 20 Cb 0.20 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 27.98 1ygw h GLN 20 CO -0.18 -0.37 0.63 0.00 -0.67 0.00 0.00 178.83 178.23 1ygw n ALA 21 N -2.53 1.02 0.02 3.87 0.00 0.19 0.22 120.51 123.30 1ygw n ALA 21 Ca -0.09 0.74 -0.11 0.00 0.00 0.00 0.00 53.44 53.98 1ygw n ALA 21 Cb 0.30 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 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 1.39 -0.14 -1.00 0.00 0.00 -1.21 -1.25 119.26 117.04 1ygw h ALA 22 Ca 0.71 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.56 1ygw h ALA 22 Cb 2.15 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.89 1ygw h ALA 22 CO -0.46 -0.23 0.60 0.78 0.00 0.00 0.00 179.25 179.94 1ygw h GLY 23 N -0.85 1.80 0.00 0.00 0.00 0.33 0.12 103.07 104.48 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 -0.10 0.00 2.98 0.00 0.00 0.00 176.54 179.44 1ygw n TYR 24 N -4.80 0.00 -0.29 5.60 9.36 0.15 -0.09 117.16 127.09 1ygw n TYR 24 Ca 0.24 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.49 1ygw n TYR 24 Cb 0.60 -0.38 0.09 0.00 -0.63 0.00 0.00 39.34 39.02 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 -1.65 -0.10 -0.01 2.98 3.00 -0.48 0.43 118.16 122.33 1ygw n LYS 25 Ca 0.00 1.23 -0.05 0.00 -0.00 0.00 0.00 58.31 59.49 1ygw n LYS 25 Cb 0.00 -1.83 0.17 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 0.56 -0.25 3.14 5.85 -0.86 -0.25 115.31 123.50 1ygw h LEU 26 Ca 0.35 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1ygw h LEU 26 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ygw h LEU 26 CO -0.81 0.81 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.33 1ygw h HIS 27 N 0.48 0.51 0.00 1.25 2.76 1.23 0.68 115.15 122.07 1ygw h HIS 27 Ca 0.07 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1ygw h HIS 27 Cb 0.71 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 1ygw h HIS 27 CO 0.03 0.66 -0.12 1.05 -1.30 0.00 0.00 177.93 178.24 1ygw h GLU 28 N 0.21 0.00 0.00 5.26 4.11 0.34 -1.55 114.58 122.95 1ygw h GLU 28 Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.45 1ygw h GLU 28 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ygw h GLU 28 CO 0.02 0.12 -0.60 -0.44 0.07 0.00 0.00 179.01 178.18 1ygw h ASP 29 N 0.00 0.00 -0.33 3.06 3.32 -0.60 -3.48 116.42 118.40 1ygw h ASP 29 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1ygw h ASP 29 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1ygw h ASP 29 CO 0.02 0.20 -0.09 0.61 -1.72 0.00 0.00 179.24 178.26 1ygw n GLY 30 N 1.20 0.53 4.02 2.75 0.00 0.13 -5.03 105.19 108.79 1ygw n GLY 30 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.97 2.10 0.25 1.61 0.41 -0.58 -5.04 118.70 114.49 1ygw s GLU 31 Ca 0.00 -1.51 0.01 0.00 -0.41 0.00 0.00 54.97 53.06 1ygw s GLU 31 Cb 0.00 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 1ygw s GLU 31 CO 0.00 -1.05 0.11 0.95 -0.49 0.00 0.00 175.26 174.78 1ygw s THR 32 N -2.81 0.38 -0.02 3.63 -4.23 -1.26 -4.30 115.64 107.03 1ygw s THR 32 Ca 0.63 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1ygw s THR 32 Cb -0.05 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1ygw s THR 32 CO 0.41 0.00 -0.07 0.68 -0.54 0.00 0.00 174.62 175.09 1ygw s VAL 33 N -3.85 0.63 0.00 2.29 -7.23 -0.31 -4.96 120.40 106.97 1ygw s VAL 33 Ca 0.38 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1ygw s VAL 33 Cb 0.07 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1ygw s VAL 33 CO 0.14 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1ygw n GLY 34 N 3.30 -0.43 0.91 2.32 0.00 0.28 -3.78 105.19 107.79 1ygw n GLY 34 Ca -0.18 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 0.88 2.84 -1.47 1.61 7.64 -1.26 -4.71 113.62 119.15 1ygw n SER 35 Ca 0.00 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1ygw n SER 35 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.22 0.00 -2.18 6.43 4.13 -1.25 -5.04 115.26 118.58 1ygw n ASN 36 Ca 0.15 -0.53 -0.23 0.00 1.68 0.00 0.00 54.58 55.65 1ygw n ASN 36 Cb 0.57 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.83 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 -1.60 4.59 -4.88 6.41 3.41 -1.26 -4.52 113.62 115.76 1ygw n SER 37 Ca 0.00 -3.60 -0.33 0.00 -0.26 0.00 0.00 58.87 54.68 1ygw n SER 37 Cb 0.00 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 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 -3.59 3.49 0.31 7.33 1.51 -1.26 -4.10 117.35 121.04 1ygw s TYR 38 Ca 0.48 0.78 -0.05 0.00 -1.01 0.00 0.00 57.07 57.27 1ygw s TYR 38 Cb 0.40 -2.18 0.08 0.00 -0.11 0.00 0.00 41.96 40.15 1ygw s TYR 38 CO -0.01 0.39 0.35 -0.35 -1.11 0.00 0.00 175.55 174.81 1ygw n PRO 39 N 0.25 -0.99 -3.66 -1.71 -0.04 -1.26 -1.16 135.00 126.43 1ygw n PRO 39 Ca -0.03 -0.54 0.03 0.00 -0.04 0.00 0.00 63.50 62.92 1ygw n PRO 39 Cb 0.52 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 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 -1.70 -0.02 1.11 0.54 -3.43 -1.16 -4.97 115.29 105.66 1ygw s HIS 40 Ca 0.21 -0.04 -0.17 0.00 -0.80 0.00 0.00 55.06 54.26 1ygw s HIS 40 Cb -0.01 0.53 0.13 0.00 -1.43 0.00 0.00 32.58 31.79 1ygw s HIS 40 CO 0.15 -0.15 0.25 1.17 -2.00 0.00 0.00 174.74 174.17 1ygw n LYS 41 N -0.57 -1.58 0.00 -0.38 3.00 -1.26 0.11 118.16 117.48 1ygw n LYS 41 Ca -0.07 -0.44 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 1ygw n LYS 41 Cb 0.63 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.84 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 -4.42 0.00 0.00 5.64 4.19 0.62 -4.08 117.16 119.12 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 -0.27 0.00 0.00 2.98 3.02 -0.91 -4.83 115.26 115.25 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 7.99 0.00 0.00 6.41 6.94 -1.26 -4.70 115.26 130.64 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 -1.32 0.00 0.27 -2.53 4.02 -1.26 -4.95 117.16 111.40 1ygw n TYR 45 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 1ygw n TYR 45 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.60 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 -1.99 -3.41 114.58 112.85 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 -1.45 0.65 3.82 -3.84 0.00 -1.26 -5.12 105.19 97.99 1ygw n GLY 47 Ca 0.02 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.02 3.51 -1.24 1.61 0.08 -1.26 -5.01 117.98 114.64 1ygw s PHE 48 Ca 0.00 0.43 -0.07 0.00 0.12 0.00 0.00 56.93 57.42 1ygw s PHE 48 Cb 0.00 -2.00 0.19 0.00 -0.57 0.00 0.00 43.02 40.64 1ygw s PHE 48 CO 0.00 0.57 1.97 -0.25 -0.10 0.00 0.00 175.22 177.41 1ygw n ASP 49 N 2.48 6.38 -4.56 1.36 8.00 -1.26 -4.95 116.55 124.01 1ygw n ASP 49 Ca -0.19 -3.21 -0.39 0.00 0.71 0.00 0.00 54.79 51.70 1ygw n ASP 49 Cb 0.54 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 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 -0.96 1.77 -0.51 1.24 0.08 -1.25 -4.81 117.98 113.54 1ygw s PHE 50 Ca 0.43 0.70 0.00 0.00 0.12 0.00 0.00 56.93 58.17 1ygw s PHE 50 Cb 0.12 -4.15 0.00 0.00 -0.57 0.00 0.00 43.02 38.42 1ygw s PHE 50 CO -0.02 -2.33 0.49 -1.13 -0.10 0.00 0.00 175.22 172.13 1ygw n SER 51 N 12.01 1.30 -4.21 1.36 3.41 -1.26 -4.67 113.62 121.57 1ygw n SER 51 Ca 0.19 -1.31 -0.21 0.00 -0.26 0.00 0.00 58.87 57.27 1ygw n SER 51 Cb 0.51 -0.33 -0.13 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 -0.34 1.35 0.08 -3.33 -7.23 -1.26 -5.05 120.40 104.61 1ygw s VAL 52 Ca 0.00 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 58.66 1ygw s VAL 52 Cb 0.00 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.64 1ygw s VAL 52 CO 0.00 -0.06 0.74 -0.55 -0.31 0.00 0.00 175.10 174.92 1ygw s SER 53 N -1.54 7.23 1.01 4.85 0.15 -1.26 -5.01 113.70 119.12 1ygw s SER 53 Ca 0.03 1.46 -0.22 0.00 0.70 0.00 0.00 55.95 57.91 1ygw s SER 53 Cb -0.09 -2.46 -0.14 0.00 -1.71 0.00 0.00 66.02 61.62 1ygw s SER 53 CO 0.02 0.10 -1.05 -1.54 1.20 0.00 0.00 173.24 171.98 1ygw n SER 54 N 2.37 -4.02 -4.18 5.45 3.41 -1.26 -4.48 113.62 110.91 1ygw n SER 54 Ca -0.04 0.07 -0.30 0.00 -0.26 0.00 0.00 58.87 58.34 1ygw n SER 54 Cb 0.50 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.21 0.09 -0.32 4.33 0.04 -1.26 -4.69 135.00 130.98 1ygw s PRO 55 Ca 0.40 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1ygw s PRO 55 Cb -0.03 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1ygw s PRO 55 CO 0.72 -2.83 0.03 0.71 0.04 0.00 0.00 177.00 175.68 1ygw s TYR 56 N -3.42 3.43 0.11 0.56 2.02 -1.26 -2.81 117.35 115.99 1ygw s TYR 56 Ca 0.70 -2.29 -0.12 0.00 -0.37 0.00 0.00 57.07 54.99 1ygw s TYR 56 Cb -0.09 -2.47 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1ygw s TYR 56 CO 0.54 -0.88 0.47 0.71 -1.57 0.00 0.00 175.55 174.82 1ygw s TYR 57 N 1.13 3.60 -0.12 2.71 2.02 4.68 0.23 117.35 131.60 1ygw s TYR 57 Ca 0.00 0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 57.61 1ygw s TYR 57 Cb -0.20 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.06 1ygw s TYR 57 CO -0.04 0.48 -0.04 -1.83 -1.57 0.00 0.00 175.55 172.55 1ygw s GLU 58 N -1.92 3.30 -0.20 -0.62 4.04 0.29 0.22 118.70 123.82 1ygw s GLU 58 Ca 0.35 -0.51 -0.21 0.00 0.04 0.00 0.00 54.97 54.64 1ygw s GLU 58 Cb -0.14 -2.80 0.06 0.00 0.02 0.00 0.00 34.13 31.26 1ygw s GLU 58 CO 0.18 0.43 0.59 -0.46 -1.84 0.00 0.00 175.26 174.17 1ygw s TRP 59 N -0.16 -0.63 0.46 4.83 -0.11 0.13 -3.01 118.94 120.44 1ygw s TRP 59 Ca 0.03 1.49 -0.22 0.00 1.22 0.00 0.00 56.10 58.63 1ygw s TRP 59 Cb -0.13 0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 31.99 1ygw s TRP 59 CO 0.02 -0.34 1.04 -1.25 -4.62 0.00 0.00 176.95 171.81 1ygw s PRO 60 N 0.12 3.93 -0.24 5.86 0.04 -1.26 0.73 135.00 144.18 1ygw s PRO 60 Ca -0.01 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1ygw s PRO 60 Cb -0.04 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1ygw s PRO 60 CO 0.02 -0.33 -0.05 -1.50 0.04 0.00 0.00 177.00 175.18 1ygw s ILE 61 N -1.87 3.03 -0.22 0.56 2.07 -1.00 -4.56 121.20 119.21 1ygw s ILE 61 Ca 0.64 -0.86 -0.27 0.00 -1.41 0.00 0.00 60.65 58.75 1ygw s ILE 61 Cb -0.18 -2.49 -0.00 0.00 0.13 0.00 0.00 42.46 39.92 1ygw s ILE 61 CO 0.22 0.27 0.92 -0.76 -1.91 0.00 0.00 174.94 173.68 1ygw s LEU 62 N 1.37 4.11 0.26 8.50 1.43 -1.26 -4.65 118.68 128.44 1ygw s LEU 62 Ca 0.02 1.21 0.16 0.00 -1.03 0.00 0.00 54.13 54.49 1ygw s LEU 62 Cb -0.16 -3.35 0.85 0.00 0.03 0.00 0.00 46.19 43.56 1ygw s LEU 62 CO -0.04 -0.56 1.44 -1.54 0.23 0.00 0.00 176.35 175.88 1ygw n SER 63 N 5.97 0.41 0.15 2.29 3.41 -1.26 0.10 113.62 124.69 1ygw n SER 63 Ca 0.08 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1ygw n SER 63 Cb 0.47 -0.68 0.18 0.00 -0.26 0.00 0.00 64.21 63.92 1ygw n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ygw h SER 64 N 0.00 0.00 -0.32 4.04 0.02 -2.00 -3.48 113.55 111.82 1ygw h SER 64 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ygw h SER 64 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ygw h SER 64 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1ygw n GLY 65 N 1.20 0.89 1.58 -3.77 0.00 0.29 -5.08 105.19 100.30 1ygw n GLY 65 Ca 0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 1.28 1.82 -4.32 1.61 9.92 -1.25 -4.94 116.55 120.67 1ygw n ASP 66 Ca 0.00 -1.81 -0.41 0.00 -0.53 0.00 0.00 54.79 52.05 1ygw n ASP 66 Cb 0.36 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.20 4.46 -0.45 2.53 1.01 -1.26 -4.31 120.40 121.18 1ygw s VAL 67 Ca 0.12 -1.20 -0.43 0.00 0.00 0.00 0.00 61.98 60.47 1ygw s VAL 67 Cb -0.01 -3.65 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 1ygw s VAL 67 CO 0.07 -0.44 2.02 0.00 0.00 0.00 0.00 175.10 176.76 1ygw n TYR 68 N 4.98 1.42 0.00 5.22 9.36 -1.26 -4.83 117.16 132.05 1ygw n TYR 68 Ca -0.11 0.73 0.00 0.00 3.32 0.00 0.00 57.90 61.84 1ygw n TYR 68 Cb 0.44 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 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 7.14 0.00 -4.68 2.98 3.41 -1.26 -4.78 113.62 116.44 1ygw n SER 69 Ca 0.46 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.60 1ygw n SER 69 Cb 0.02 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 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 2.03 1.40 3.06 5.00 0.00 -1.26 0.10 105.19 115.52 1ygw n GLY 70 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 46.02 46.51 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 4.08 1.97 2.70 -0.02 0.00 -1.26 -4.05 105.19 108.60 1ygw n GLY 71 Ca 0.20 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 6.54 -0.06 0.09 1.61 2.88 -1.26 -4.67 113.62 118.76 1ygw n SER 72 Ca 0.36 -2.49 -0.05 0.00 -1.33 0.00 0.00 58.87 55.36 1ygw n SER 72 Cb 0.25 0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ygw h PRO 73 N 2.39 -0.32 -1.04 -1.46 0.13 -1.93 -3.48 132.00 126.29 1ygw h PRO 73 Ca -0.21 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1ygw h PRO 73 Cb 1.25 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ygw h PRO 73 CO 0.19 -0.19 -0.04 0.41 -0.23 0.00 0.00 178.00 178.14 1ygw n GLY 74 N 0.92 0.00 0.00 1.56 0.00 -1.26 -4.26 105.19 102.15 1ygw n GLY 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.66 0.00 -2.70 4.61 0.00 -1.26 -4.81 120.51 117.02 1ygw n ALA 75 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ygw n ALA 75 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 6.64 -0.16 0.00 1.01 -1.26 0.92 116.67 119.81 1ygw s ASP 76 Ca 0.00 0.75 -0.13 0.00 0.71 0.00 0.00 52.55 53.88 1ygw s ASP 76 Cb 0.00 -2.26 0.05 0.00 1.01 0.00 0.00 42.92 41.72 1ygw s ASP 76 CO 0.00 0.06 0.42 -0.13 0.21 0.00 0.00 175.17 175.74 1ygw s ARG 77 N 0.39 0.47 -0.13 8.23 1.81 -0.06 -2.38 118.95 127.28 1ygw s ARG 77 Ca 0.23 0.65 -0.00 0.00 -1.72 0.00 0.00 55.73 54.89 1ygw s ARG 77 Cb -0.15 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.51 1ygw s ARG 77 CO 0.09 -0.09 -0.14 0.54 -0.68 0.00 0.00 175.30 175.03 1ygw s VAL 78 N 0.54 2.98 -0.13 3.52 0.11 3.63 -0.63 120.40 130.43 1ygw s VAL 78 Ca -0.03 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1ygw s VAL 78 Cb -0.04 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.52 1ygw s VAL 78 CO -0.03 0.52 0.10 -0.69 -3.33 0.00 0.00 175.10 171.67 1ygw s VAL 79 N 0.43 5.19 0.16 2.04 1.01 -1.25 0.17 120.40 128.14 1ygw s VAL 79 Ca -0.10 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1ygw s VAL 79 Cb -0.16 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1ygw s VAL 79 CO 0.05 0.58 0.42 0.72 0.00 0.00 0.00 175.10 176.88 1ygw s PHE 80 N -0.72 -0.08 0.00 5.22 -0.71 0.61 0.96 117.98 123.26 1ygw s PHE 80 Ca 0.13 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 1ygw s PHE 80 Cb -0.12 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1ygw s PHE 80 CO 0.03 -0.78 0.00 0.27 -1.34 0.00 0.00 175.22 173.40 1ygw n ASN 81 N -0.26 0.00 -0.28 1.98 0.23 -1.12 0.84 115.26 116.64 1ygw n ASN 81 Ca -0.13 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.85 1ygw n ASN 81 Cb 0.63 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.29 0.00 -3.83 2.13 -1.26 -4.66 120.64 112.73 1ygw n GLU 82 Ca 0.00 1.30 0.00 0.00 0.66 0.00 0.00 57.16 59.12 1ygw n GLU 82 Cb 0.00 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 29.78 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 -4.51 0.00 -1.00 4.31 2.04 -1.26 -4.90 115.26 109.94 1ygw n ASN 83 Ca 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.15 1ygw n ASN 83 Cb 0.17 0.12 0.10 0.00 -2.53 0.00 0.00 39.78 37.64 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 -1.33 2.54 -1.36 0.53 0.23 -1.26 -4.23 115.26 110.37 1ygw n ASN 84 Ca 0.00 -2.30 -0.05 0.00 -0.53 0.00 0.00 54.58 51.70 1ygw n ASN 84 Cb 0.00 -0.56 0.03 0.00 -2.08 0.00 0.00 39.78 37.16 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 0.14 1.25 -0.75 -3.83 -0.00 -1.26 -4.93 117.38 108.00 1ygw n GLN 85 Ca 0.10 -0.56 -0.33 0.00 -0.00 0.00 0.00 57.00 56.21 1ygw n GLN 85 Cb 0.59 -1.22 -0.06 0.00 -0.00 0.00 0.00 30.24 29.55 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 0.47 0.49 -0.01 2.61 7.94 -1.25 -3.49 117.00 123.75 1ygw n LEU 86 Ca 0.11 0.46 -0.12 0.00 -1.11 0.00 0.00 56.01 55.35 1ygw n LEU 86 Cb 0.66 -0.46 0.01 0.00 0.53 0.00 0.00 43.42 44.16 1ygw n LEU 86 CO 0.12 -0.41 0.41 0.00 -1.11 0.00 0.00 177.39 176.40 1ygw h ALA 87 N 3.76 0.56 0.00 1.96 0.00 4.68 -3.42 119.26 126.81 1ygw h ALA 87 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ygw h ALA 87 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ygw h ALA 87 CO 0.54 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1ygw n GLY 88 N 0.41 -0.70 2.44 0.00 0.00 -1.17 -3.76 105.19 102.41 1ygw n GLY 88 Ca -0.04 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 0.35 0.65 1.61 1.01 -1.26 -3.75 120.40 115.01 1ygw s VAL 89 Ca 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 61.98 59.59 1ygw s VAL 89 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1ygw s VAL 89 CO 0.00 -1.12 1.01 0.27 0.00 0.00 0.00 175.10 175.26 1ygw s ILE 90 N 0.45 3.62 0.13 2.22 -4.36 0.20 0.61 121.20 124.07 1ygw s ILE 90 Ca 0.26 0.29 -0.24 0.00 -0.26 0.00 0.00 60.65 60.70 1ygw s ILE 90 Cb -0.08 -3.49 0.07 0.00 1.25 0.00 0.00 42.46 40.21 1ygw s ILE 90 CO -0.11 -0.58 0.61 0.28 0.24 0.00 0.00 174.94 175.38 1ygw s THR 91 N -3.19 0.00 -0.83 8.37 -1.32 0.37 -0.88 115.64 118.15 1ygw s THR 91 Ca 0.56 -0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.31 1ygw s THR 91 Cb -0.11 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.14 1ygw s THR 91 CO 0.49 -0.00 1.82 1.41 -2.21 0.00 0.00 174.62 176.13 1ygw n HIS 92 N -0.21 0.57 -0.97 9.09 8.25 0.26 -2.45 115.22 129.76 1ygw n HIS 92 Ca -0.17 0.16 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 1ygw n HIS 92 Cb 0.64 -0.76 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.96 0.00 -3.80 1.59 -1.04 -1.26 0.13 114.28 107.94 1ygw n THR 93 Ca 0.06 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.75 1ygw n THR 93 Cb 0.40 -0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 68.50 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 4.72 -0.29 2.63 3.41 0.00 -1.26 -4.63 105.19 109.77 1ygw n GLY 94 Ca 0.43 0.06 -0.16 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 n ALA 95 N -3.21 3.88 -2.22 4.61 0.00 0.36 -4.47 120.51 119.46 1ygw n ALA 95 Ca 0.07 -1.48 -0.10 0.00 0.00 0.00 0.00 53.44 51.93 1ygw n ALA 95 Cb 0.35 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 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 4.14 -0.68 0.00 0.00 2.88 -1.26 -2.52 113.62 116.18 1ygw n SER 96 Ca 0.33 -0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1ygw n SER 96 Cb 0.15 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 -0.51 0.37 0.96 0.46 0.00 -1.26 -4.67 105.19 100.53 1ygw n GLY 97 Ca 0.03 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 2.96 -3.43 1.61 4.05 -1.23 -4.86 115.26 114.37 1ygw n ASN 98 Ca 0.00 -1.96 -0.31 0.00 0.45 0.00 0.00 54.58 52.77 1ygw n ASN 98 Cb 0.00 -0.06 0.28 0.00 1.23 0.00 0.00 39.78 41.24 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 -1.88 -0.91 0.24 1.20 2.20 -1.05 -4.97 114.94 109.78 1ygw s ASN 99 Ca 0.31 0.78 0.10 0.00 -0.94 0.00 0.00 52.86 53.11 1ygw s ASN 99 Cb 0.21 -1.09 -0.05 0.00 -2.00 0.00 0.00 41.25 38.32 1ygw s ASN 99 CO 0.31 -5.26 -0.17 -0.36 -2.94 0.00 0.00 177.10 168.67 1ygw s PHE 100 N -2.38 2.00 -0.28 1.54 0.08 -1.26 -4.50 117.98 113.19 1ygw s PHE 100 Ca 0.69 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 57.10 1ygw s PHE 100 Cb -0.12 -0.89 0.08 0.00 -0.57 0.00 0.00 43.02 41.52 1ygw s PHE 100 CO 0.57 0.54 0.71 0.14 -0.10 0.00 0.00 175.22 177.08 1ygw s VAL 101 N -2.74 0.00 -0.00 -0.44 -7.23 -1.02 -4.87 120.40 104.10 1ygw s VAL 101 Ca 0.26 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.08 1ygw s VAL 101 Cb -0.03 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.77 1ygw s VAL 101 CO 0.11 0.00 1.63 -1.84 -0.31 0.00 0.00 175.10 174.69 1ygw n GLU 102 N 3.67 1.75 -0.06 4.82 0.28 -1.25 -0.48 120.64 129.35 1ygw n GLU 102 Ca -0.18 0.63 -0.03 0.00 -0.16 0.00 0.00 57.16 57.43 1ygw n GLU 102 Cb 0.57 -2.38 0.03 0.00 1.43 0.00 0.00 31.44 31.10 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97