#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 5.13 0.08 -3.54 0.00 9.92 -1.26 -4.69 116.55 122.20 1ygw n ASP 3 Ca -0.12 -0.71 -0.29 0.00 -0.53 0.00 0.00 54.79 53.14 1ygw n ASP 3 Cb 0.51 0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.90 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 -0.04 0.99 -0.44 1.24 2.02 -1.24 -4.82 117.35 115.06 1ygw s TYR 4 Ca 0.00 -1.72 -0.14 0.00 -0.37 0.00 0.00 57.07 54.84 1ygw s TYR 4 Cb 0.00 -1.16 0.06 0.00 -0.40 0.00 0.00 41.96 40.46 1ygw s TYR 4 CO 0.00 -0.82 0.34 0.99 -1.57 0.00 0.00 175.55 174.49 1ygw s THR 5 N 1.05 5.07 -1.44 -0.71 2.01 -1.22 -2.76 115.64 117.64 1ygw s THR 5 Ca 0.17 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.07 1ygw s THR 5 Cb -0.22 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.37 1ygw s THR 5 CO -0.04 -0.47 2.33 0.00 -0.69 0.00 0.00 174.62 175.74 1ygw n GLY 7 N 3.46 0.68 2.56 0.00 0.00 -1.26 -3.93 105.19 106.70 1ygw n GLY 7 Ca 0.56 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 1.47 2.59 -2.50 1.61 3.41 -1.26 -5.07 113.62 113.86 1ygw n SER 8 Ca 0.00 -3.15 -0.12 0.00 -0.26 0.00 0.00 58.87 55.34 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 -0.71 -2.66 4.04 3.02 -1.25 -5.00 115.26 112.56 1ygw n ASN 9 Ca 0.23 -2.45 -0.03 0.00 -0.03 0.00 0.00 54.58 52.29 1ygw n ASN 9 Cb 0.70 1.46 0.11 0.00 -0.61 0.00 0.00 39.78 41.44 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 2.86 1.35 0.00 -0.85 -1.11 -4.36 117.35 115.26 1ygw s TYR 11 Ca 0.19 -2.44 -0.21 0.00 -0.52 0.00 0.00 57.07 54.09 1ygw s TYR 11 Cb 0.29 -2.38 0.34 0.00 0.38 0.00 0.00 41.96 40.58 1ygw s TYR 11 CO -0.19 -0.92 0.99 -1.54 -1.52 0.00 0.00 175.55 172.37 1ygw s SER 12 N 1.22 -0.39 0.52 -0.18 1.04 -1.25 -3.69 113.70 110.97 1ygw s SER 12 Ca 0.10 0.81 0.19 0.00 0.48 0.00 0.00 55.95 57.53 1ygw s SER 12 Cb -0.18 -1.14 1.03 0.00 0.10 0.00 0.00 66.02 65.83 1ygw s SER 12 CO -0.15 -4.95 1.53 0.77 0.98 0.00 0.00 173.24 171.42 1ygw h SER 13 N -3.14 0.00 0.94 7.02 4.64 -1.96 1.68 113.55 122.74 1ygw h SER 13 Ca -0.45 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.66 1ygw h SER 13 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1ygw h SER 13 CO 0.31 0.00 -1.08 -1.28 -0.87 0.00 0.00 176.83 173.91 1ygw h SER 14 N 0.00 0.00 0.24 4.97 0.87 -1.96 -2.75 113.55 114.93 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 0.82 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1ygw h SER 14 CO 0.00 1.00 -1.66 0.44 -0.53 0.00 0.00 176.83 176.08 1ygw h ASP 15 N 0.00 0.65 -0.11 6.23 5.19 0.21 -3.35 116.42 125.26 1ygw h ASP 15 Ca -0.04 -0.88 0.01 0.00 -0.62 0.00 0.00 57.03 55.50 1ygw h ASP 15 Cb 1.80 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 41.08 1ygw h ASP 15 CO 0.12 1.73 0.01 0.58 -3.12 0.00 0.00 179.24 178.57 1ygw h VAL 16 N 0.11 0.95 -0.80 -1.35 2.07 -1.03 -2.57 116.25 113.64 1ygw h VAL 16 Ca -0.31 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.33 1ygw h VAL 16 Cb 2.11 0.89 -0.14 0.00 -1.52 0.00 0.00 31.29 32.63 1ygw h VAL 16 CO 0.20 0.01 -0.26 -0.24 0.02 0.00 0.00 177.57 177.31 1ygw n SER 17 N -5.09 -0.40 -0.13 0.57 2.88 -1.04 0.17 113.62 110.57 1ygw n SER 17 Ca -0.05 1.38 -0.05 0.00 -1.33 0.00 0.00 58.87 58.82 1ygw n SER 17 Cb 0.06 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.38 -0.79 2.46 2.02 -1.61 0.52 112.91 115.89 1ygw h THR 18 Ca 0.33 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 1ygw h THR 18 Cb 0.53 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1ygw h THR 18 CO -0.80 0.00 0.48 0.00 0.37 0.00 0.00 175.52 175.57 1ygw h ALA 19 N 1.17 1.01 0.29 6.16 0.00 0.17 -2.80 119.26 125.25 1ygw h ALA 19 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ygw h ALA 19 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ygw h ALA 19 CO -0.52 0.47 -0.25 1.96 0.00 0.00 0.00 179.25 180.91 1ygw h GLN 20 N 1.08 -0.54 -0.82 0.00 4.20 0.20 -1.56 115.11 117.68 1ygw h GLN 20 Ca 0.28 0.04 0.33 0.00 0.06 0.00 0.00 58.65 59.36 1ygw h GLN 20 Cb -0.04 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 27.72 1ygw h GLN 20 CO -0.05 -0.36 0.45 0.00 -0.67 0.00 0.00 178.83 178.20 1ygw n ALA 21 N -2.50 0.84 -0.04 3.87 0.00 0.16 0.28 120.51 123.11 1ygw n ALA 21 Ca -0.09 0.78 -0.14 0.00 0.00 0.00 0.00 53.44 53.99 1ygw n ALA 21 Cb 0.28 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 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 1.52 0.01 -0.88 0.00 0.00 -1.32 0.15 119.26 118.74 1ygw h ALA 22 Ca 0.67 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1ygw h ALA 22 Cb 1.81 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 1ygw h ALA 22 CO -0.57 -0.08 0.48 0.78 0.00 0.00 0.00 179.25 179.85 1ygw h GLY 23 N -0.66 1.46 0.06 0.00 0.00 0.48 0.13 103.07 104.54 1ygw h GLY 23 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ygw h GLY 23 CO 0.01 -0.03 -0.03 -1.82 0.00 0.00 0.00 176.54 174.67 1ygw h TYR 24 N 0.67 -0.07 -0.86 5.60 3.20 -0.03 -1.05 116.97 124.42 1ygw h TYR 24 Ca 0.48 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.47 1ygw h TYR 24 Cb 0.69 0.02 -0.13 0.00 1.54 0.00 0.00 36.73 38.85 1ygw h TYR 24 CO -0.07 -0.04 -0.40 1.17 -1.64 0.00 0.00 178.16 177.18 1ygw n LYS 25 N -2.89 -0.26 -0.15 1.82 0.00 0.04 0.31 118.16 117.03 1ygw n LYS 25 Ca -0.01 1.31 -0.02 0.00 0.00 0.00 0.00 58.31 59.60 1ygw n LYS 25 Cb 0.03 -1.94 0.22 0.00 0.00 0.00 0.00 35.03 33.33 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 0.78 -0.35 3.14 5.85 -0.89 -0.50 115.31 123.35 1ygw h LEU 26 Ca 0.24 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1ygw h LEU 26 Cb 0.46 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ygw h LEU 26 CO -0.84 0.70 0.10 -0.74 -0.34 0.00 0.00 178.44 177.33 1ygw h HIS 27 N 0.85 0.57 0.00 1.25 2.76 0.63 0.10 115.15 121.30 1ygw h HIS 27 Ca 0.20 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1ygw h HIS 27 Cb 0.17 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1ygw h HIS 27 CO 0.01 0.56 -0.12 0.93 -1.30 0.00 0.00 177.93 178.01 1ygw h GLU 28 N 0.41 0.00 0.00 5.26 5.08 0.37 -0.95 114.58 124.75 1ygw h GLU 28 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1ygw h GLU 28 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ygw h GLU 28 CO -0.00 0.12 -0.64 -0.44 -1.00 0.00 0.00 179.01 177.05 1ygw h ASP 29 N 0.00 0.00 -0.16 1.42 5.19 -0.34 -3.48 116.42 119.06 1ygw h ASP 29 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1ygw h ASP 29 Cb 0.38 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1ygw h ASP 29 CO 0.02 0.28 -0.05 0.61 -3.12 0.00 0.00 179.24 176.98 1ygw n GLY 30 N 1.22 0.49 4.01 2.75 0.00 0.27 -5.04 105.19 108.89 1ygw n GLY 30 Ca -0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.64 2.49 0.37 1.61 0.41 -0.72 -5.03 118.70 115.19 1ygw s GLU 31 Ca 0.00 -1.53 0.02 0.00 -0.41 0.00 0.00 54.97 53.05 1ygw s GLU 31 Cb 0.00 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1ygw s GLU 31 CO 0.00 -0.60 0.08 0.25 -0.49 0.00 0.00 175.26 174.49 1ygw n THR 32 N -2.03 0.00 -3.97 3.63 -2.24 -1.26 -4.34 114.28 104.06 1ygw n THR 32 Ca 0.11 -1.97 -0.19 0.00 -2.27 0.00 0.00 64.05 59.73 1ygw n THR 32 Cb 0.61 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1ygw n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ygw s VAL 33 N -2.70 0.31 0.00 2.28 -7.23 -0.02 -4.93 120.40 108.12 1ygw s VAL 33 Ca 0.11 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1ygw s VAL 33 Cb 0.01 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.54 1ygw s VAL 33 CO 0.08 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1ygw n GLY 34 N 4.30 0.41 0.02 2.32 0.00 -1.22 -3.58 105.19 107.44 1ygw n GLY 34 Ca -0.22 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 2.01 0.57 -2.64 1.61 7.64 -1.07 -4.81 113.62 116.92 1ygw n SER 35 Ca 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1ygw n SER 35 Cb 0.00 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 -1.92 -0.27 -2.33 6.43 4.13 -1.16 -4.98 115.26 115.16 1ygw n ASN 36 Ca 0.01 -0.45 -0.19 0.00 1.68 0.00 0.00 54.58 55.63 1ygw n ASN 36 Cb 0.44 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.77 3.96 -4.90 6.41 3.41 -1.26 -4.53 113.62 114.93 1ygw n SER 37 Ca 0.00 -3.34 -0.33 0.00 -0.26 0.00 0.00 58.87 54.95 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 -3.58 3.54 0.00 7.33 1.51 -1.26 -4.06 117.35 120.82 1ygw s TYR 38 Ca 0.44 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.97 1ygw s TYR 38 Cb 0.40 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1ygw s TYR 38 CO -0.03 0.57 0.00 -0.35 -1.11 0.00 0.00 175.55 174.63 1ygw n PRO 39 N 0.65 -0.48 0.00 -1.71 -0.04 -1.26 -0.84 135.00 131.32 1ygw n PRO 39 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ygw n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.23 0.00 -0.85 0.54 1.44 -1.12 -4.96 115.22 108.04 1ygw n HIS 40 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1ygw n HIS 40 Cb 0.00 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.10 -0.46 0.00 -1.40 4.81 -1.26 0.12 118.16 119.87 1ygw n LYS 41 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1ygw n LYS 41 Cb 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.57 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 -3.47 -0.14 0.00 5.64 4.19 0.26 -4.24 117.16 119.39 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 0.59 0.04 0.00 0.00 0.49 0.00 0.00 39.34 40.46 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 -1.58 0.00 0.00 2.98 3.02 -1.05 -4.79 115.26 113.84 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 5.81 0.00 0.00 6.41 6.94 -1.26 -4.80 115.26 128.37 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 -1.31 0.00 0.31 -2.53 4.02 -1.26 -4.93 117.16 111.45 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1ygw n TYR 45 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 39.61 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 3.07 -1.94 -3.41 114.58 111.58 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 -1.37 0.74 3.77 -3.84 0.00 -1.26 -5.11 105.19 98.13 1ygw n GLY 47 Ca -0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.47 3.55 -1.05 1.61 0.08 -1.26 -4.99 117.98 115.45 1ygw s PHE 48 Ca 0.00 0.71 -0.04 0.00 0.12 0.00 0.00 56.93 57.72 1ygw s PHE 48 Cb 0.00 -2.29 0.16 0.00 -0.57 0.00 0.00 43.02 40.32 1ygw s PHE 48 CO 0.00 0.40 2.34 -0.25 -0.10 0.00 0.00 175.22 177.61 1ygw n ASP 49 N 2.93 7.55 -4.56 1.36 8.00 -1.26 -4.91 116.55 125.67 1ygw n ASP 49 Ca -0.13 -3.31 -0.23 0.00 0.71 0.00 0.00 54.79 51.83 1ygw n ASP 49 Cb 0.52 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.29 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 -2.09 1.14 -0.60 1.24 0.08 -1.26 -4.73 117.98 111.75 1ygw s PHE 50 Ca 0.52 1.78 0.00 0.00 0.12 0.00 0.00 56.93 59.36 1ygw s PHE 50 Cb 0.25 -3.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 1ygw s PHE 50 CO -0.15 -1.94 0.41 -1.13 -0.10 0.00 0.00 175.22 172.30 1ygw n SER 51 N 17.45 1.05 -4.61 1.36 3.41 -1.26 -4.70 113.62 126.31 1ygw n SER 51 Ca 0.42 -1.16 -0.23 0.00 -0.26 0.00 0.00 58.87 57.64 1ygw n SER 51 Cb 0.48 -0.29 -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 -0.43 3.12 0.06 -3.33 -7.23 -1.26 -5.11 120.40 106.22 1ygw s VAL 52 Ca 0.00 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1ygw s VAL 52 Cb 0.00 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 1ygw s VAL 52 CO 0.00 -0.35 0.57 -0.55 -0.31 0.00 0.00 175.10 174.46 1ygw s SER 53 N -3.66 7.05 1.02 4.85 0.15 -1.26 -5.05 113.70 116.80 1ygw s SER 53 Ca 0.32 1.24 -0.12 0.00 0.70 0.00 0.00 55.95 58.09 1ygw s SER 53 Cb -0.05 -2.36 0.20 0.00 -1.71 0.00 0.00 66.02 62.10 1ygw s SER 53 CO 0.19 0.25 1.09 -0.94 1.20 0.00 0.00 173.24 175.03 1ygw s SER 54 N -0.99 2.40 0.69 5.45 1.04 -1.26 -4.63 113.70 116.39 1ygw s SER 54 Ca 0.29 1.21 -0.11 0.00 0.48 0.00 0.00 55.95 57.82 1ygw s SER 54 Cb -0.19 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1ygw s SER 54 CO 0.19 -3.28 1.06 -2.16 0.98 0.00 0.00 173.24 170.03 1ygw s PRO 55 N -4.91 2.98 -0.27 4.02 0.04 -1.26 -4.85 135.00 130.75 1ygw s PRO 55 Ca 0.66 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1ygw s PRO 55 Cb -0.19 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1ygw s PRO 55 CO 0.58 -1.07 0.19 0.71 0.04 0.00 0.00 177.00 177.45 1ygw s TYR 56 N -2.99 3.25 -0.19 0.56 2.02 -1.25 -3.93 117.35 114.82 1ygw s TYR 56 Ca 0.58 0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 57.36 1ygw s TYR 56 Cb -0.14 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 1ygw s TYR 56 CO 0.53 -0.09 0.12 0.71 -1.57 0.00 0.00 175.55 175.25 1ygw s TYR 57 N 1.54 3.40 -0.18 2.71 2.02 4.32 0.89 117.35 132.06 1ygw s TYR 57 Ca 0.08 0.31 -0.10 0.00 -0.37 0.00 0.00 57.07 56.99 1ygw s TYR 57 Cb -0.15 -2.13 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 1ygw s TYR 57 CO 0.09 0.31 0.14 -1.83 -1.57 0.00 0.00 175.55 172.70 1ygw s GLU 58 N 0.22 4.02 -0.03 -0.62 -1.05 0.12 0.33 118.70 121.69 1ygw s GLU 58 Ca 0.08 -0.18 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1ygw s GLU 58 Cb -0.11 -3.37 0.01 0.00 -0.44 0.00 0.00 34.13 30.22 1ygw s GLU 58 CO -0.01 0.41 0.17 -0.46 0.95 0.00 0.00 175.26 176.32 1ygw s TRP 59 N 0.04 -0.08 0.47 4.83 -0.11 1.02 -2.81 118.94 122.31 1ygw s TRP 59 Ca 0.10 0.16 -0.21 0.00 1.22 0.00 0.00 56.10 57.38 1ygw s TRP 59 Cb -0.11 0.01 -0.09 0.00 -1.50 0.00 0.00 33.47 31.78 1ygw s TRP 59 CO -0.00 -0.22 1.04 -1.25 -4.62 0.00 0.00 176.95 171.90 1ygw s PRO 60 N -0.78 3.84 -0.20 5.86 0.04 -1.26 0.65 135.00 143.15 1ygw s PRO 60 Ca -0.09 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 1ygw s PRO 60 Cb -0.05 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1ygw s PRO 60 CO 0.01 -0.40 -0.15 -1.50 0.04 0.00 0.00 177.00 175.01 1ygw s ILE 61 N -1.94 2.43 -0.26 0.56 2.07 -1.04 -4.58 121.20 118.45 1ygw s ILE 61 Ca 0.66 -0.90 -0.22 0.00 -1.41 0.00 0.00 60.65 58.78 1ygw s ILE 61 Cb -0.17 -2.10 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 1ygw s ILE 61 CO 0.21 0.44 0.72 -0.76 -1.91 0.00 0.00 174.94 173.64 1ygw s LEU 62 N 1.32 4.08 0.00 8.50 1.43 -1.26 -4.70 118.68 128.05 1ygw s LEU 62 Ca 0.04 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1ygw s LEU 62 Cb -0.14 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1ygw s LEU 62 CO -0.09 -0.47 0.98 -1.20 0.23 0.00 0.00 176.35 175.80 1ygw n SER 63 N 5.90 0.00 0.13 2.29 7.64 -1.26 0.63 113.62 128.95 1ygw n SER 63 Ca 0.02 0.48 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1ygw n SER 63 Cb 0.48 -0.48 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1ygw n SER 63 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ygw h SER 64 N 0.00 0.00 -0.32 6.43 0.02 -2.00 -3.48 113.55 114.19 1ygw h SER 64 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ygw h SER 64 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ygw h SER 64 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1ygw n GLY 65 N 1.18 1.00 0.99 -3.77 0.00 0.20 -5.09 105.19 99.71 1ygw n GLY 65 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 1.04 1.82 -4.28 1.61 9.92 -1.25 -5.01 116.55 120.40 1ygw n ASP 66 Ca 0.00 -1.54 -0.37 0.00 -0.53 0.00 0.00 54.79 52.35 1ygw n ASP 66 Cb 0.30 0.03 -0.13 0.00 -0.64 0.00 0.00 41.12 40.68 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 -1.02 3.74 0.39 2.53 1.01 -1.26 -4.33 120.40 121.46 1ygw s VAL 67 Ca 0.05 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1ygw s VAL 67 Cb -0.00 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 33.14 1ygw s VAL 67 CO 0.03 -0.12 0.13 0.00 0.00 0.00 0.00 175.10 175.14 1ygw n TYR 68 N 4.81 -1.95 -2.79 5.22 9.36 -1.26 -4.95 117.16 125.59 1ygw n TYR 68 Ca -0.13 0.65 -0.10 0.00 3.32 0.00 0.00 57.90 61.64 1ygw n TYR 68 Cb 0.45 -1.80 0.05 0.00 -0.63 0.00 0.00 39.34 37.42 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 2.29 -2.36 0.00 2.98 3.41 -1.26 -4.78 113.62 113.90 1ygw n SER 69 Ca 0.12 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1ygw n SER 69 Cb 0.39 1.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.95 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 1.13 2.77 0.00 5.00 0.00 -1.23 -4.16 105.19 108.70 1ygw n GLY 70 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 2.99 -0.02 0.00 -1.26 -2.61 105.19 104.29 1ygw n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ygw s SER 72 N -2.80 5.16 0.00 1.61 1.04 -1.26 -4.83 113.70 112.62 1ygw s SER 72 Ca 0.00 -3.58 -0.02 0.00 0.48 0.00 0.00 55.95 52.84 1ygw s SER 72 Cb 0.00 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 1ygw s SER 72 CO 0.00 -0.17 1.99 -0.81 0.98 0.00 0.00 173.24 175.23 1ygw n PRO 73 N 2.42 1.02 0.00 4.02 -0.04 -1.26 -4.87 135.00 136.29 1ygw n PRO 73 Ca 0.17 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ygw n PRO 73 Cb 0.35 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.99 1.43 0.00 0.55 0.00 -1.26 -3.87 105.19 104.04 1ygw n GLY 74 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 6.08 0.82 -1.75 4.61 0.00 -1.26 -4.80 120.51 124.21 1ygw n ALA 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 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 -0.51 0.00 0.00 0.00 177.50 176.99 1ygw s ASP 76 N -1.67 6.40 -0.07 0.00 1.01 -1.25 -1.27 116.67 119.82 1ygw s ASP 76 Ca 0.00 2.83 -0.11 0.00 0.71 0.00 0.00 52.55 55.99 1ygw s ASP 76 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1ygw s ASP 76 CO 0.00 -0.96 0.28 -0.13 0.21 0.00 0.00 175.17 174.57 1ygw s ARG 77 N 1.29 0.43 -0.05 8.23 1.81 0.64 -2.49 118.95 128.80 1ygw s ARG 77 Ca 0.75 0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.94 1ygw s ARG 77 Cb -0.49 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 1ygw s ARG 77 CO 0.32 -0.08 -0.05 0.54 -0.68 0.00 0.00 175.30 175.35 1ygw s VAL 78 N -0.35 3.84 -0.07 3.52 0.11 2.95 -1.04 120.40 129.37 1ygw s VAL 78 Ca -0.05 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1ygw s VAL 78 Cb -0.03 -2.61 -0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1ygw s VAL 78 CO 0.01 0.55 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.42 1ygw s VAL 79 N -0.88 2.33 0.00 2.04 1.01 -1.23 0.34 120.40 124.01 1ygw s VAL 79 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1ygw s VAL 79 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1ygw s VAL 79 CO 0.03 0.57 0.00 2.22 0.00 0.00 0.00 175.10 177.92 1ygw n PHE 80 N 3.00 -0.04 -3.24 5.22 -1.74 0.99 0.84 117.46 122.49 1ygw n PHE 80 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ygw n PHE 80 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 1ygw n PHE 80 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1ygw n ASN 81 N -0.25 0.62 -1.26 5.98 3.02 -1.25 0.80 115.26 122.92 1ygw n ASN 81 Ca 0.00 -0.24 0.05 0.00 -0.03 0.00 0.00 54.58 54.36 1ygw n ASN 81 Cb 0.00 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.42 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 3.14 -0.08 3.52 0.00 -1.25 -3.71 120.64 122.25 1ygw n GLU 82 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 57.16 55.15 1ygw n GLU 82 Cb 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 31.44 29.48 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ygw n ASN 83 N 0.52 1.08 0.00 4.31 6.94 -1.26 -5.00 115.26 121.86 1ygw n ASN 83 Ca 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1ygw n ASN 83 Cb 0.74 0.81 0.00 0.00 -2.36 0.00 0.00 39.78 38.97 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 -2.64 0.00 -2.47 0.53 2.04 -1.24 -5.12 115.26 106.35 1ygw n ASN 84 Ca -0.27 0.00 -0.04 0.00 -0.44 0.00 0.00 54.58 53.82 1ygw n ASN 84 Cb 1.02 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 38.29 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ygw n GLN 85 N -0.99 0.49 -4.07 -3.83 6.02 -1.26 -4.95 117.38 108.78 1ygw n GLN 85 Ca 0.00 -0.51 -0.22 0.00 -0.01 0.00 0.00 57.00 56.26 1ygw n GLN 85 Cb 0.00 -0.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.97 1ygw n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ygw s LEU 86 N 0.00 1.15 0.21 1.08 1.98 -1.26 -4.02 118.68 117.82 1ygw s LEU 86 Ca 0.12 -0.16 0.05 0.00 -2.89 0.00 0.00 54.13 51.26 1ygw s LEU 86 Cb -0.01 -0.54 0.14 0.00 0.66 0.00 0.00 46.19 46.45 1ygw s LEU 86 CO 0.08 -0.09 1.48 0.00 -1.89 0.00 0.00 176.35 175.93 1ygw h ALA 87 N 7.59 0.72 0.00 5.97 0.00 3.49 -3.44 119.26 133.58 1ygw h ALA 87 Ca -0.31 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1ygw h ALA 87 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ygw h ALA 87 CO 0.41 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.92 1ygw n GLY 88 N 0.58 -0.34 2.51 0.00 0.00 -1.15 -4.31 105.19 102.47 1ygw n GLY 88 Ca -0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 0.39 1.61 1.01 -1.26 -3.50 120.40 114.67 1ygw s VAL 89 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1ygw s VAL 89 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ygw s VAL 89 CO 0.00 -0.84 0.60 0.27 0.00 0.00 0.00 175.10 175.13 1ygw s ILE 90 N 1.66 4.76 -0.07 2.22 -4.36 -0.20 0.49 121.20 125.70 1ygw s ILE 90 Ca 0.13 -0.42 -0.08 0.00 -0.26 0.00 0.00 60.65 60.01 1ygw s ILE 90 Cb -0.19 -3.75 0.02 0.00 1.25 0.00 0.00 42.46 39.79 1ygw s ILE 90 CO -0.21 -0.52 0.22 0.28 0.24 0.00 0.00 174.94 174.96 1ygw s THR 91 N -2.42 0.02 -1.28 8.37 -1.32 0.01 -0.26 115.64 118.75 1ygw s THR 91 Ca 0.43 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1ygw s THR 91 Cb -0.10 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1ygw s THR 91 CO 0.37 -0.08 0.03 1.41 -2.21 0.00 0.00 174.62 174.14 1ygw n HIS 92 N 2.58 0.00 -2.22 9.09 8.25 -0.40 -1.93 115.22 130.59 1ygw n HIS 92 Ca -0.15 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.05 1ygw n HIS 92 Cb 0.58 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.78 1ygw n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ygw s THR 93 N -1.28 2.20 0.00 1.59 2.01 -1.26 -4.43 115.64 114.48 1ygw s THR 93 Ca 0.00 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1ygw s THR 93 Cb 0.00 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1ygw s THR 93 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1ygw n GLY 94 N -3.05 0.00 2.23 4.40 0.00 -1.26 -4.32 105.19 103.19 1ygw n GLY 94 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.25 2.56 0.10 4.61 0.00 -1.26 -4.82 120.51 121.45 1ygw n ALA 95 Ca 0.00 -3.56 0.06 0.00 0.00 0.00 0.00 53.44 49.93 1ygw n ALA 95 Cb 0.00 -0.84 0.31 0.00 0.00 0.00 0.00 19.45 18.92 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 1.08 0.29 0.00 0.00 2.88 -1.26 -3.06 113.62 113.55 1ygw n SER 96 Ca 0.23 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1ygw n SER 96 Cb 0.54 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.33 0.26 3.44 0.46 0.00 -1.26 -4.91 105.19 101.85 1ygw n GLY 97 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1ygw n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ygw s ASN 98 N 0.34 7.07 0.00 1.61 3.04 -1.25 -4.85 114.94 120.90 1ygw s ASN 98 Ca 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 52.86 49.89 1ygw s ASN 98 Cb 0.00 -2.37 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 1ygw s ASN 98 CO 0.00 -0.70 0.00 0.59 -3.04 0.00 0.00 177.10 173.95 1ygw n ASN 99 N 5.27 0.00 -3.68 -4.21 5.03 -1.17 -4.37 115.26 112.13 1ygw n ASN 99 Ca 0.34 -0.05 -0.14 0.00 0.87 0.00 0.00 54.58 55.60 1ygw n ASN 99 Cb 0.43 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.10 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ygw s PHE 100 N 0.09 -0.47 -0.29 3.10 0.08 -1.16 -2.56 117.98 116.76 1ygw s PHE 100 Ca 0.00 1.02 -0.16 0.00 0.12 0.00 0.00 56.93 57.91 1ygw s PHE 100 Cb 0.00 0.21 0.15 0.00 -0.57 0.00 0.00 43.02 42.81 1ygw s PHE 100 CO 0.00 -0.37 0.99 0.14 -0.10 0.00 0.00 175.22 175.89 1ygw s VAL 101 N -0.44 0.00 -0.38 -0.44 -7.23 -0.81 -4.69 120.40 106.41 1ygw s VAL 101 Ca -0.06 0.00 -0.39 0.00 -1.81 0.00 0.00 61.98 59.72 1ygw s VAL 101 Cb -0.03 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.76 1ygw s VAL 101 CO 0.03 0.00 2.05 -1.84 -0.31 0.00 0.00 175.10 175.03 1ygw n GLU 102 N 3.65 0.78 -0.00 4.82 0.28 -1.23 -0.81 120.64 128.13 1ygw n GLU 102 Ca -0.18 0.24 -0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1ygw n GLU 102 Cb 0.58 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.35 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97