#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 -0.31 0.00 -3.72 0.00 9.92 -1.26 -3.48 116.55 117.70 1ygw n ASP 3 Ca 0.36 0.92 -0.25 0.00 -0.53 0.00 0.00 54.79 55.28 1ygw n ASP 3 Cb 0.44 -0.42 -0.17 0.00 -0.64 0.00 0.00 41.12 40.33 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 -4.71 0.69 -0.28 1.24 2.02 -1.24 -4.84 117.35 110.24 1ygw s TYR 4 Ca -0.04 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 1ygw s TYR 4 Cb 0.23 -0.85 0.08 0.00 -0.40 0.00 0.00 41.96 41.02 1ygw s TYR 4 CO 0.76 -0.47 0.01 0.99 -1.57 0.00 0.00 175.55 175.28 1ygw s THR 5 N 1.97 1.56 -1.51 -0.71 2.01 -0.71 0.55 115.64 118.80 1ygw s THR 5 Ca 0.02 -1.56 -0.12 0.00 0.31 0.00 0.00 61.69 60.34 1ygw s THR 5 Cb -0.15 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1ygw s THR 5 CO -0.07 -0.37 2.47 0.00 -0.69 0.00 0.00 174.62 175.96 1ygw n GLY 7 N 3.82 1.88 2.69 0.00 0.00 -1.26 -4.19 105.19 108.13 1ygw n GLY 7 Ca 0.61 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 2.90 -0.62 -1.47 1.61 3.41 -1.26 -5.06 113.62 113.12 1ygw n SER 8 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1ygw n SER 8 Cb 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.51 1.71 -2.70 4.04 3.02 -1.26 -5.11 115.26 114.45 1ygw n ASN 9 Ca 0.00 -0.79 -0.05 0.00 -0.03 0.00 0.00 54.58 53.71 1ygw n ASN 9 Cb 0.84 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.06 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 2.13 1.29 -0.46 0.00 4.01 0.19 -4.84 117.16 119.48 1ygw n TYR 11 Ca 0.09 -1.85 -0.15 0.00 -0.16 0.00 0.00 57.90 55.83 1ygw n TYR 11 Cb 0.65 -1.20 0.01 0.00 -0.31 0.00 0.00 39.34 38.49 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 0.91 -1.54 0.05 7.72 3.41 -1.25 -2.55 113.62 120.36 1ygw n SER 12 Ca 0.38 0.22 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 1ygw n SER 12 Cb 0.60 -0.32 0.21 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.01 0.00 0.12 4.04 3.41 -1.26 0.64 113.62 121.58 1ygw n SER 13 Ca 0.02 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.25 1ygw n SER 13 Cb 0.18 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.96 4.04 0.87 -1.96 -2.94 113.55 114.52 1ygw h SER 14 Ca 0.24 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.60 1ygw h SER 14 Cb 2.34 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.27 1ygw h SER 14 CO -0.00 0.50 -1.10 0.44 -0.53 0.00 0.00 176.83 176.13 1ygw h ASP 15 N 0.00 0.00 0.12 6.23 3.32 1.93 -3.19 116.42 124.83 1ygw h ASP 15 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1ygw h ASP 15 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1ygw h ASP 15 CO 0.06 0.81 -0.06 0.58 -1.72 0.00 0.00 179.24 178.91 1ygw h VAL 16 N 0.00 0.00 -0.97 -1.35 2.07 -0.93 -2.85 116.25 112.21 1ygw h VAL 16 Ca -0.09 -0.11 0.17 0.00 0.82 0.00 0.00 66.70 67.49 1ygw h VAL 16 Cb 1.70 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.30 1ygw h VAL 16 CO 0.09 0.00 -0.32 -1.28 0.02 0.00 0.00 177.57 176.08 1ygw h SER 17 N -0.27 -1.17 -0.61 0.57 0.87 -1.69 0.51 113.55 111.76 1ygw h SER 17 Ca -0.02 0.30 0.11 0.00 -1.23 0.00 0.00 61.79 60.95 1ygw h SER 17 Cb 0.13 0.68 -0.12 0.00 -0.44 0.00 0.00 62.40 62.65 1ygw h SER 17 CO 0.03 -0.31 -0.35 0.74 -0.53 0.00 0.00 176.83 176.42 1ygw h THR 18 N -0.01 0.16 -0.62 2.23 2.02 -1.62 0.46 112.91 115.52 1ygw h THR 18 Ca 0.40 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.61 1ygw h THR 18 Cb 0.65 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1ygw h THR 18 CO -0.99 0.00 0.39 0.00 0.37 0.00 0.00 175.52 175.29 1ygw h ALA 19 N 0.98 0.81 0.21 6.16 0.00 0.15 -2.75 119.26 124.82 1ygw h ALA 19 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ygw h ALA 19 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ygw h ALA 19 CO -0.69 0.14 -0.40 1.96 0.00 0.00 0.00 179.25 180.25 1ygw h GLN 20 N 0.76 -0.67 -1.02 0.00 4.20 0.19 -0.00 115.11 118.56 1ygw h GLN 20 Ca 0.25 0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.34 1ygw h GLN 20 Cb 0.01 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1ygw h GLN 20 CO -0.10 -0.45 0.68 0.00 -0.67 0.00 0.00 178.83 178.29 1ygw n ALA 21 N -2.78 1.00 -0.04 3.87 0.00 0.12 0.35 120.51 123.04 1ygw n ALA 21 Ca -0.08 0.55 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1ygw n ALA 21 Cb 0.38 -0.72 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 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 0.97 0.14 -0.57 0.00 0.00 -1.10 -1.89 119.26 116.81 1ygw h ALA 22 Ca 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ygw h ALA 22 Cb 2.06 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 20.22 1ygw h ALA 22 CO -0.24 0.56 0.36 0.78 0.00 0.00 0.00 179.25 180.71 1ygw h GLY 23 N -0.50 0.81 0.17 0.00 0.00 0.77 -1.09 103.07 103.23 1ygw h GLY 23 Ca -0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1ygw h GLY 23 CO -0.02 0.31 -0.08 -1.82 0.00 0.00 0.00 176.54 174.93 1ygw h TYR 24 N 0.76 -0.22 -0.93 5.60 5.03 0.22 -1.31 116.97 126.13 1ygw h TYR 24 Ca 0.20 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.61 1ygw h TYR 24 Cb -0.05 0.07 -0.12 0.00 1.55 0.00 0.00 36.73 38.18 1ygw h TYR 24 CO -0.03 -0.13 -0.51 1.17 -1.32 0.00 0.00 178.16 177.34 1ygw n LYS 25 N -3.83 -0.37 0.12 1.82 3.00 -0.71 0.32 118.16 118.51 1ygw n LYS 25 Ca -0.03 1.41 0.05 0.00 -0.00 0.00 0.00 58.31 59.74 1ygw n LYS 25 Cb 0.09 -2.08 0.50 0.00 0.00 0.00 0.00 35.03 33.55 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 0.26 0.11 3.14 5.85 -1.33 -1.38 115.31 121.95 1ygw h LEU 26 Ca 0.19 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1ygw h LEU 26 Cb 0.42 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ygw h LEU 26 CO -0.88 0.21 -0.05 -0.74 -0.34 0.00 0.00 178.44 176.64 1ygw h HIS 27 N 0.30 -0.14 -0.50 1.25 2.76 0.63 -0.30 115.15 119.15 1ygw h HIS 27 Ca 0.08 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.39 1ygw h HIS 27 Cb 0.02 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1ygw h HIS 27 CO 0.00 0.32 0.43 0.93 -1.30 0.00 0.00 177.93 178.31 1ygw h GLU 28 N -0.67 0.00 0.00 5.26 5.08 0.54 1.51 114.58 126.30 1ygw h GLU 28 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ygw h GLU 28 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ygw h GLU 28 CO 0.02 0.00 -0.35 -0.25 -1.00 0.00 0.00 179.01 177.43 1ygw n ASP 29 N -4.04 0.75 -0.87 1.42 8.00 -0.57 -4.92 116.55 116.31 1ygw n ASP 29 Ca 0.09 0.31 -0.10 0.00 0.71 0.00 0.00 54.79 55.81 1ygw n ASP 29 Cb 0.64 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1ygw n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ygw n GLY 30 N 1.33 0.70 3.89 0.44 0.00 0.52 -5.01 105.19 107.05 1ygw n GLY 30 Ca 0.04 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.43 2.43 0.19 1.61 0.41 -0.20 -5.02 118.70 114.69 1ygw s GLU 31 Ca 0.00 -1.68 0.03 0.00 -0.41 0.00 0.00 54.97 52.91 1ygw s GLU 31 Cb 0.00 -2.31 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 1ygw s GLU 31 CO 0.00 -0.35 -0.02 0.95 -0.49 0.00 0.00 175.26 175.35 1ygw s THR 32 N -2.57 0.89 -0.17 3.63 -4.23 -1.26 -4.28 115.64 107.66 1ygw s THR 32 Ca 0.45 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 1ygw s THR 32 Cb -0.03 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1ygw s THR 32 CO 0.27 -0.49 0.87 0.68 -0.54 0.00 0.00 174.62 175.41 1ygw s VAL 33 N -3.51 4.85 -0.59 2.29 -7.23 0.15 -4.90 120.40 111.46 1ygw s VAL 33 Ca 0.24 1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 61.80 1ygw s VAL 33 Cb 0.05 -4.17 -0.17 0.00 0.56 0.00 0.00 36.38 32.66 1ygw s VAL 33 CO 0.05 0.00 1.95 0.61 -0.31 0.00 0.00 175.10 177.40 1ygw n GLY 34 N 3.42 -0.24 0.00 2.32 0.00 0.16 -2.54 105.19 108.31 1ygw n GLY 34 Ca 0.06 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1ygw n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 35 N 7.20 0.00 0.00 1.61 2.88 -1.26 -3.24 113.62 120.82 1ygw n SER 35 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ygw n SER 35 Cb -0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ygw n ASN 36 N 0.00 0.95 -2.04 -3.46 3.02 -1.05 -4.35 115.26 108.33 1ygw n ASN 36 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 1ygw n ASN 36 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ygw n SER 37 N 0.00 5.68 -4.87 6.41 3.41 -1.26 -4.36 113.62 118.62 1ygw n SER 37 Ca 0.00 -3.77 -0.34 0.00 -0.26 0.00 0.00 58.87 54.50 1ygw n SER 37 Cb 0.00 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 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 -3.63 3.56 0.00 7.33 1.51 -1.26 -4.01 117.35 120.86 1ygw s TYR 38 Ca 0.56 0.76 -0.00 0.00 -1.01 0.00 0.00 57.07 57.38 1ygw s TYR 38 Cb 0.46 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1ygw s TYR 38 CO 0.02 0.50 0.00 -0.35 -1.11 0.00 0.00 175.55 174.61 1ygw n PRO 39 N 0.77 -0.50 0.00 -1.71 -0.04 -1.26 -0.68 135.00 131.59 1ygw n PRO 39 Ca -0.07 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ygw n PRO 39 Cb 0.52 -0.01 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 -2.25 0.00 -0.86 0.54 1.44 -1.09 -4.91 115.22 108.09 1ygw n HIS 40 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1ygw n HIS 40 Cb 0.00 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.22 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 -0.21 0.11 -1.40 3.00 -1.26 0.52 118.16 118.87 1ygw n LYS 41 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1ygw n LYS 41 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.20 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 -3.43 -2.74 0.00 5.64 4.19 0.15 -4.28 117.16 116.70 1ygw n TYR 42 Ca 0.07 0.62 0.00 0.00 3.31 0.00 0.00 57.90 61.90 1ygw n TYR 42 Cb 0.53 1.64 0.00 0.00 0.49 0.00 0.00 39.34 42.01 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 -3.02 0.00 0.00 2.98 5.03 -1.12 -4.92 115.26 114.21 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 6.31 0.00 0.00 6.41 6.94 -1.26 -4.86 115.26 128.80 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 -1.51 0.00 0.22 -2.53 4.02 -1.26 -4.93 117.16 111.17 1ygw n TYR 45 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1ygw n TYR 45 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.56 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 5.08 -1.99 -3.41 114.58 113.54 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1ygw n GLY 47 N -1.30 0.70 3.79 -3.84 0.00 -1.26 -5.10 105.19 98.18 1ygw n GLY 47 Ca -0.01 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.74 3.60 -0.97 1.61 0.08 -1.26 -4.95 117.98 115.35 1ygw s PHE 48 Ca 0.00 0.83 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 1ygw s PHE 48 Cb 0.00 -2.32 0.33 0.00 -0.57 0.00 0.00 43.02 40.45 1ygw s PHE 48 CO 0.00 0.45 1.82 -0.25 -0.10 0.00 0.00 175.22 177.15 1ygw n ASP 49 N 2.66 7.26 -4.54 1.36 8.00 -1.26 -4.93 116.55 125.11 1ygw n ASP 49 Ca -0.13 -3.72 -0.45 0.00 0.71 0.00 0.00 54.79 51.20 1ygw n ASP 49 Cb 0.52 -1.12 -0.05 0.00 -0.02 0.00 0.00 41.12 40.45 1ygw n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ygw n PHE 50 N -0.16 1.76 0.06 1.24 3.72 -1.26 -4.75 117.46 118.08 1ygw n PHE 50 Ca 0.48 0.05 0.01 0.00 -0.05 0.00 0.00 57.45 57.93 1ygw n PHE 50 Cb 0.26 -2.64 0.03 0.00 -0.94 0.00 0.00 39.48 36.19 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 11.35 0.00 -4.61 4.37 3.41 -1.26 -4.51 113.62 122.36 1ygw n SER 51 Ca 0.35 -0.03 -0.29 0.00 -0.26 0.00 0.00 58.87 58.64 1ygw n SER 51 Cb 0.37 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.00 3.53 0.77 -3.33 -7.23 -1.26 -5.09 120.40 105.79 1ygw s VAL 52 Ca 0.02 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1ygw s VAL 52 Cb 0.01 -2.70 0.13 0.00 0.56 0.00 0.00 36.38 34.38 1ygw s VAL 52 CO 0.01 0.04 1.07 -0.44 -0.31 0.00 0.00 175.10 175.47 1ygw s SER 53 N -2.45 4.12 0.70 4.85 0.01 -1.26 -5.02 113.70 114.64 1ygw s SER 53 Ca 0.24 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1ygw s SER 53 Cb -0.11 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.88 1ygw s SER 53 CO 0.16 -2.03 1.07 -0.94 0.41 0.00 0.00 173.24 171.91 1ygw s SER 54 N -4.74 5.47 0.99 2.44 1.04 -1.26 -4.53 113.70 113.11 1ygw s SER 54 Ca 0.67 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.33 1ygw s SER 54 Cb -0.06 -2.25 0.19 0.00 0.10 0.00 0.00 66.02 64.00 1ygw s SER 54 CO 0.46 -1.35 1.18 -2.16 0.98 0.00 0.00 173.24 172.34 1ygw s PRO 55 N -5.19 0.47 -0.23 4.02 0.04 -1.26 -4.86 135.00 127.99 1ygw s PRO 55 Ca 0.58 0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.68 1ygw s PRO 55 Cb -0.12 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.68 1ygw s PRO 55 CO 0.54 -2.60 -0.14 0.71 0.04 0.00 0.00 177.00 175.54 1ygw s TYR 56 N -3.36 3.08 -0.26 0.56 2.02 -1.18 -3.14 117.35 115.08 1ygw s TYR 56 Ca 0.68 -2.05 -0.09 0.00 -0.37 0.00 0.00 57.07 55.24 1ygw s TYR 56 Cb -0.11 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1ygw s TYR 56 CO 0.54 -0.85 0.13 0.71 -1.57 0.00 0.00 175.55 174.51 1ygw s TYR 57 N 1.18 3.17 0.25 2.71 2.02 6.56 0.32 117.35 133.56 1ygw s TYR 57 Ca -0.04 -0.10 -0.30 0.00 -0.37 0.00 0.00 57.07 56.27 1ygw s TYR 57 Cb -0.17 -2.30 -0.09 0.00 -0.40 0.00 0.00 41.96 39.00 1ygw s TYR 57 CO -0.08 -0.21 0.94 -1.83 -1.57 0.00 0.00 175.55 172.80 1ygw s GLU 58 N 1.58 4.83 -0.18 -0.62 4.04 0.18 0.18 118.70 128.71 1ygw s GLU 58 Ca 0.07 1.48 -0.28 0.00 0.04 0.00 0.00 54.97 56.28 1ygw s GLU 58 Cb -0.15 -3.24 0.09 0.00 0.02 0.00 0.00 34.13 30.85 1ygw s GLU 58 CO 0.07 0.49 0.81 -0.46 -1.84 0.00 0.00 175.26 174.34 1ygw s TRP 59 N -1.22 -0.62 0.36 4.83 -0.11 0.87 -2.67 118.94 120.38 1ygw s TRP 59 Ca 0.42 1.31 -0.26 0.00 1.22 0.00 0.00 56.10 58.79 1ygw s TRP 59 Cb -0.25 0.36 -0.09 0.00 -1.50 0.00 0.00 33.47 31.99 1ygw s TRP 59 CO 0.31 -0.42 1.06 -1.25 -4.62 0.00 0.00 176.95 172.04 1ygw s PRO 60 N -0.40 4.33 -0.28 5.86 0.04 -1.26 0.44 135.00 143.73 1ygw s PRO 60 Ca -0.03 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1ygw s PRO 60 Cb -0.03 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1ygw s PRO 60 CO 0.03 -0.02 0.03 -1.50 0.04 0.00 0.00 177.00 175.58 1ygw s ILE 61 N -1.49 3.58 -0.24 0.56 2.07 -1.19 -4.67 121.20 119.81 1ygw s ILE 61 Ca 0.53 -0.81 -0.24 0.00 -1.41 0.00 0.00 60.65 58.72 1ygw s ILE 61 Cb -0.25 -2.84 -0.01 0.00 0.13 0.00 0.00 42.46 39.49 1ygw s ILE 61 CO 0.32 0.12 0.79 -0.76 -1.91 0.00 0.00 174.94 173.50 1ygw s LEU 62 N 1.44 4.08 0.31 8.50 1.43 -1.26 -4.75 118.68 128.42 1ygw s LEU 62 Ca 0.02 0.98 0.17 0.00 -1.03 0.00 0.00 54.13 54.26 1ygw s LEU 62 Cb -0.17 -3.13 0.91 0.00 0.03 0.00 0.00 46.19 43.83 1ygw s LEU 62 CO 0.00 -0.49 1.46 -1.20 0.23 0.00 0.00 176.35 176.35 1ygw n SER 63 N 5.95 0.43 0.03 2.29 7.64 -1.26 0.18 113.62 128.87 1ygw n SER 63 Ca 0.04 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.70 1ygw n SER 63 Cb 0.48 -0.66 0.30 0.00 -1.01 0.00 0.00 64.21 63.31 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ygw n SER 64 N -2.12 0.49 -0.85 6.43 7.64 -1.26 -4.94 113.62 119.01 1ygw n SER 64 Ca -0.01 0.04 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 1ygw n SER 64 Cb 0.16 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 1ygw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ygw n GLY 65 N 1.44 0.52 1.14 0.23 0.00 0.47 -5.05 105.19 103.94 1ygw n GLY 65 Ca 0.05 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 0.87 1.64 -4.33 1.61 8.00 -1.25 -4.92 116.55 118.17 1ygw n ASP 66 Ca -0.01 -1.58 -0.37 0.00 0.71 0.00 0.00 54.79 53.53 1ygw n ASP 66 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 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 -0.91 3.96 1.00 2.53 1.01 -1.26 -4.39 120.40 122.34 1ygw s VAL 67 Ca 0.08 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1ygw s VAL 67 Cb -0.01 -3.09 -0.18 0.00 0.00 0.00 0.00 36.38 33.10 1ygw s VAL 67 CO 0.05 0.02 -1.34 0.00 0.00 0.00 0.00 175.10 173.83 1ygw n TYR 68 N 4.86 -2.40 -0.06 5.22 9.36 -1.26 -4.93 117.16 127.96 1ygw n TYR 68 Ca -0.14 0.47 -0.04 0.00 3.32 0.00 0.00 57.90 61.52 1ygw n TYR 68 Cb 0.47 -1.40 -0.12 0.00 -0.63 0.00 0.00 39.34 37.66 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 3.46 1.17 0.00 2.98 3.41 -1.26 -4.91 113.62 118.47 1ygw n SER 69 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ygw n SER 69 Cb 0.70 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 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 1.92 3.63 4.62 5.00 0.00 -1.20 0.37 105.19 119.53 1ygw n GLY 70 Ca -0.20 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.32 0.54 3.44 -0.02 0.00 -1.26 -4.59 105.19 101.97 1ygw n GLY 71 Ca 0.00 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.00 6.22 0.00 1.61 1.04 -1.26 -4.79 113.70 112.52 1ygw s SER 72 Ca 0.00 -0.97 0.22 0.00 0.48 0.00 0.00 55.95 55.67 1ygw s SER 72 Cb 0.00 -2.36 0.93 0.00 0.10 0.00 0.00 66.02 64.69 1ygw s SER 72 CO 0.00 -1.19 1.70 -0.81 0.98 0.00 0.00 173.24 173.92 1ygw n PRO 73 N 6.95 0.00 0.00 4.02 -0.04 -1.26 -4.98 135.00 139.69 1ygw n PRO 73 Ca -0.05 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ygw n PRO 73 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.74 1.26 1.34 0.55 0.00 -1.26 -4.79 105.19 103.03 1ygw n GLY 74 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.00 2.70 -1.87 4.61 0.00 -1.26 -4.81 120.51 118.88 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 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -4.43 6.54 0.01 0.00 1.01 -1.26 -1.71 116.67 116.83 1ygw s ASP 76 Ca 0.00 2.64 -0.05 0.00 0.71 0.00 0.00 52.55 55.85 1ygw s ASP 76 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1ygw s ASP 76 CO 0.00 -0.89 0.08 -0.13 0.21 0.00 0.00 175.17 174.44 1ygw s ARG 77 N 1.77 0.41 0.11 8.23 1.81 0.12 -3.19 118.95 128.21 1ygw s ARG 77 Ca 0.73 -0.45 0.10 0.00 -1.72 0.00 0.00 55.73 54.39 1ygw s ARG 77 Cb -0.44 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 1ygw s ARG 77 CO 0.32 -0.09 -0.25 0.14 -0.68 0.00 0.00 175.30 174.74 1ygw s VAL 78 N -1.36 2.33 -0.12 3.52 -7.23 1.53 -0.45 120.40 118.62 1ygw s VAL 78 Ca -0.15 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1ygw s VAL 78 Cb -0.08 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.88 1ygw s VAL 78 CO 0.01 0.17 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.24 1ygw s VAL 79 N -1.01 0.79 0.00 1.32 1.01 0.12 0.30 120.40 122.94 1ygw s VAL 79 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1ygw s VAL 79 Cb -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1ygw s VAL 79 CO 0.06 0.23 0.00 2.22 0.00 0.00 0.00 175.10 177.60 1ygw n PHE 80 N 5.00 0.00 -3.72 5.22 -1.74 0.48 0.42 117.46 123.13 1ygw n PHE 80 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 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 0.48 -0.62 5.98 3.02 -0.11 0.99 115.26 125.00 1ygw n ASN 81 Ca 0.00 -0.72 0.07 0.00 -0.03 0.00 0.00 54.58 53.90 1ygw n ASN 81 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.79 -0.03 3.52 2.13 -1.26 -3.45 120.64 123.34 1ygw n GLU 82 Ca 0.00 -1.22 0.02 0.00 0.66 0.00 0.00 57.16 56.62 1ygw n GLU 82 Cb 0.00 -1.30 -0.15 0.00 0.27 0.00 0.00 31.44 30.26 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 0.48 0.16 0.00 4.31 6.94 -1.26 -4.97 115.26 120.91 1ygw n ASN 83 Ca 0.13 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1ygw n ASN 83 Cb 0.30 1.32 0.00 0.00 -2.36 0.00 0.00 39.78 39.05 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 -2.54 0.00 -4.36 0.53 2.04 -1.22 -5.09 115.26 104.62 1ygw n ASN 84 Ca -0.15 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.60 1ygw n ASN 84 Cb 0.82 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.95 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 -0.05 2.88 -0.04 -3.83 -0.21 -1.26 -4.92 119.66 112.23 1ygw s GLN 85 Ca 0.00 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.32 1ygw s GLN 85 Cb 0.00 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.34 1ygw s GLN 85 CO 0.00 -0.63 0.11 -1.17 -2.12 0.00 0.00 175.29 171.48 1ygw s LEU 86 N 1.53 4.11 0.00 2.90 2.96 -1.26 -0.94 118.68 127.98 1ygw s LEU 86 Ca 0.02 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1ygw s LEU 86 Cb -0.19 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1ygw s LEU 86 CO 0.06 0.32 0.00 0.00 -1.32 0.00 0.00 176.35 175.40 1ygw n ALA 87 N 1.43 1.33 -0.37 5.97 0.00 1.42 -4.82 120.51 125.47 1ygw n ALA 87 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ygw n ALA 87 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.06 0.00 1.36 0.00 0.00 0.71 -4.27 105.19 103.06 1ygw n GLY 88 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 2.20 1.72 -0.80 1.61 0.31 -1.16 0.16 118.33 122.37 1ygw n VAL 89 Ca 0.00 -0.48 -0.29 0.00 -0.01 0.00 0.00 64.34 63.56 1ygw n VAL 89 Cb 0.00 -1.21 0.24 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.42 1.76 -0.04 2.52 -0.00 0.41 0.30 121.20 125.73 1ygw s ILE 90 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.42 1ygw s ILE 90 Cb 0.05 -2.27 0.09 0.00 -0.00 0.00 0.00 42.46 40.33 1ygw s ILE 90 CO 0.00 0.00 0.80 0.28 -0.00 0.00 0.00 174.94 176.02 1ygw s THR 91 N -2.68 0.00 -1.79 8.37 -1.32 0.31 0.15 115.64 118.69 1ygw s THR 91 Ca 0.68 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1ygw s THR 91 Cb -0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 1ygw s THR 91 CO 0.60 0.00 0.70 1.41 -2.21 0.00 0.00 174.62 175.12 1ygw n HIS 92 N 0.42 0.00 -1.49 9.09 8.25 -0.69 -2.99 115.22 127.80 1ygw n HIS 92 Ca -0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.16 1ygw n HIS 92 Cb 0.60 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.37 0.00 -3.31 1.59 -1.04 -1.26 -3.03 114.28 106.86 1ygw n THR 93 Ca 0.00 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.05 61.33 1ygw n THR 93 Cb 0.04 -1.08 -0.05 0.00 -1.82 0.00 0.00 70.33 67.42 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 6.06 -0.20 0.00 3.41 0.00 -1.26 -4.61 105.19 108.59 1ygw n GLY 94 Ca 0.50 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.65 1.13 0.00 4.61 0.00 -1.17 -4.71 120.51 117.72 1ygw n ALA 95 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ygw n ALA 95 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.43 0.00 0.00 0.00 2.88 -1.26 -4.72 113.62 109.09 1ygw n SER 96 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ygw n SER 96 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.00 0.07 1.23 0.46 0.00 -1.26 -4.55 105.19 101.14 1ygw n GLY 97 Ca 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 3.59 -4.77 1.61 4.05 -1.26 -4.92 115.26 113.57 1ygw n ASN 98 Ca 0.00 -2.19 -0.29 0.00 0.45 0.00 0.00 54.58 52.55 1ygw n ASN 98 Cb 0.00 -0.46 0.12 0.00 1.23 0.00 0.00 39.78 40.67 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 -0.90 3.77 0.35 1.20 6.03 -1.26 -5.04 114.94 119.08 1ygw s ASN 99 Ca 0.41 1.19 0.09 0.00 -1.03 0.00 0.00 52.86 53.52 1ygw s ASN 99 Cb 0.24 -1.85 -0.07 0.00 -3.03 0.00 0.00 41.25 36.54 1ygw s ASN 99 CO 0.23 -2.41 -0.08 -0.36 -2.03 0.00 0.00 177.10 172.45 1ygw s PHE 100 N -3.15 2.39 -0.29 1.54 0.08 -1.26 -4.51 117.98 112.78 1ygw s PHE 100 Ca 0.63 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 57.02 1ygw s PHE 100 Cb -0.16 -1.41 0.12 0.00 -0.57 0.00 0.00 43.02 41.01 1ygw s PHE 100 CO 0.55 0.56 0.76 0.14 -0.10 0.00 0.00 175.22 177.13 1ygw s VAL 101 N -2.64 -0.43 -0.10 -0.44 -7.23 -1.16 -4.86 120.40 103.54 1ygw s VAL 101 Ca 0.33 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.13 1ygw s VAL 101 Cb 0.03 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.83 1ygw s VAL 101 CO 0.16 0.00 1.75 -1.84 -0.31 0.00 0.00 175.10 174.86 1ygw n GLU 102 N 4.73 1.74 -0.58 4.82 0.28 -1.26 -0.53 120.64 129.84 1ygw n GLU 102 Ca -0.15 0.63 -0.22 0.00 -0.16 0.00 0.00 57.16 57.26 1ygw n GLU 102 Cb 0.54 -2.40 0.15 0.00 1.43 0.00 0.00 31.44 31.16 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97