#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 -0.32 0.02 -3.69 0.00 9.92 -1.26 -3.48 116.55 117.74 1ygw n ASP 3 Ca 0.33 0.92 -0.24 0.00 -0.53 0.00 0.00 54.79 55.28 1ygw n ASP 3 Cb 0.47 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 40.32 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 -4.69 0.42 -0.26 1.24 2.02 -1.26 -4.82 117.35 109.99 1ygw s TYR 4 Ca -0.05 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1ygw s TYR 4 Cb 0.24 -0.72 0.07 0.00 -0.40 0.00 0.00 41.96 41.16 1ygw s TYR 4 CO 0.79 -0.39 -0.02 0.99 -1.57 0.00 0.00 175.55 175.35 1ygw s THR 5 N 2.06 1.64 -1.50 -0.71 2.01 -1.23 0.36 115.64 118.28 1ygw s THR 5 Ca 0.03 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 60.44 1ygw s THR 5 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1ygw s THR 5 CO -0.06 -0.25 2.52 0.00 -0.69 0.00 0.00 174.62 176.14 1ygw n GLY 7 N 3.48 1.83 2.69 0.00 0.00 -1.26 -4.18 105.19 107.75 1ygw n GLY 7 Ca 0.63 -0.18 -0.07 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 3.25 0.40 -1.65 1.61 3.41 -1.26 -5.07 113.62 114.31 1ygw n SER 8 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1ygw n SER 8 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.36 1.56 -2.69 4.04 3.02 -1.26 -5.12 115.26 114.45 1ygw n ASN 9 Ca 0.04 -0.92 -0.05 0.00 -0.03 0.00 0.00 54.58 53.62 1ygw n ASN 9 Cb 0.83 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.05 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw n TYR 11 N 1.99 0.93 -0.43 0.00 4.01 0.16 -4.84 117.16 118.98 1ygw n TYR 11 Ca 0.07 -1.70 -0.14 0.00 -0.16 0.00 0.00 57.90 55.98 1ygw n TYR 11 Cb 0.66 -1.22 0.01 0.00 -0.31 0.00 0.00 39.34 38.48 1ygw n TYR 11 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ygw n SER 12 N 1.27 -1.43 0.04 7.72 2.88 -1.25 -2.43 113.62 120.43 1ygw n SER 12 Ca 0.36 0.21 0.14 0.00 -1.33 0.00 0.00 58.87 58.25 1ygw n SER 12 Cb 0.65 -0.30 0.21 0.00 -0.75 0.00 0.00 64.21 64.02 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ygw n SER 13 N 0.95 0.00 0.11 -3.46 3.41 -1.26 0.65 113.62 114.01 1ygw n SER 13 Ca 0.02 0.59 0.02 0.00 -0.26 0.00 0.00 58.87 59.25 1ygw n SER 13 Cb 0.17 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.09 4.04 0.87 -1.95 -2.97 113.55 114.63 1ygw h SER 14 Ca 0.24 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.65 1ygw h SER 14 Cb 2.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.26 1ygw h SER 14 CO -0.00 0.52 -0.96 0.44 -0.53 0.00 0.00 176.83 176.29 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.98 -3.22 116.42 126.60 1ygw h ASP 15 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1ygw h ASP 15 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1ygw h ASP 15 CO 0.06 0.63 0.00 0.52 -3.12 0.00 0.00 179.24 177.33 1ygw n VAL 16 N -3.11 0.00 -0.33 -1.35 0.31 -0.37 -2.60 118.33 110.88 1ygw n VAL 16 Ca -0.03 0.91 0.06 0.00 -0.01 0.00 0.00 64.34 65.27 1ygw n VAL 16 Cb 0.82 -1.90 0.14 0.00 -0.91 0.00 0.00 33.84 31.99 1ygw n VAL 16 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ygw n SER 17 N -1.96 -0.31 -0.15 4.52 2.88 -1.12 0.13 113.62 117.62 1ygw n SER 17 Ca 0.00 1.57 -0.04 0.00 -1.33 0.00 0.00 58.87 59.07 1ygw n SER 17 Cb 0.00 -0.48 0.03 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.41 -0.48 2.46 2.02 -1.64 0.72 112.91 116.40 1ygw h THR 18 Ca 0.45 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1ygw h THR 18 Cb 0.71 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1ygw h THR 18 CO -0.93 0.00 0.24 0.00 0.37 0.00 0.00 175.52 175.20 1ygw h ALA 19 N 1.32 0.61 0.50 6.16 0.00 0.14 -3.04 119.26 124.95 1ygw h ALA 19 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ygw h ALA 19 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ygw h ALA 19 CO -0.53 0.16 -0.43 1.96 0.00 0.00 0.00 179.25 180.40 1ygw h GLN 20 N 0.63 -0.89 -0.70 0.00 4.20 0.13 -1.49 115.11 116.99 1ygw h GLN 20 Ca 0.17 0.06 0.29 0.00 0.06 0.00 0.00 58.65 59.22 1ygw h GLN 20 Cb 0.09 0.20 -0.12 0.00 0.30 0.00 0.00 27.48 27.95 1ygw h GLN 20 CO -0.02 -0.60 0.39 0.00 -0.67 0.00 0.00 178.83 177.93 1ygw n ALA 21 N -2.72 0.72 0.19 3.87 0.00 0.23 0.34 120.51 123.15 1ygw n ALA 21 Ca -0.12 0.68 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1ygw n ALA 21 Cb 0.43 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 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 1.33 -0.57 -0.94 0.00 0.00 -1.28 0.25 119.26 118.06 1ygw h ALA 22 Ca 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1ygw h ALA 22 Cb 1.56 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1ygw h ALA 22 CO -0.50 -0.53 0.62 0.78 0.00 0.00 0.00 179.25 179.62 1ygw h GLY 23 N -1.13 1.33 0.49 0.00 0.00 0.25 -2.29 103.07 101.71 1ygw h GLY 23 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1ygw h GLY 23 CO 0.09 0.48 -0.23 -1.82 0.00 0.00 0.00 176.54 175.06 1ygw h TYR 24 N 1.27 -0.61 -0.92 5.60 5.03 0.57 0.16 116.97 128.07 1ygw h TYR 24 Ca 0.35 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.73 1ygw h TYR 24 Cb -0.13 0.20 -0.11 0.00 1.55 0.00 0.00 36.73 38.24 1ygw h TYR 24 CO -0.00 -0.38 -0.54 1.17 -1.32 0.00 0.00 178.16 177.09 1ygw n LYS 25 N -4.74 -0.40 -0.05 1.82 3.00 0.88 0.30 118.16 118.96 1ygw n LYS 25 Ca -0.08 1.39 0.03 0.00 -0.00 0.00 0.00 58.31 59.65 1ygw n LYS 25 Cb 0.26 -2.04 0.38 0.00 0.00 0.00 0.00 35.03 33.63 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 0.05 3.14 5.85 -1.49 -0.98 115.31 122.44 1ygw h LEU 26 Ca 0.15 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ygw h LEU 26 Cb 0.38 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ygw h LEU 26 CO -0.87 0.40 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.88 1ygw h HIS 27 N 0.66 -0.06 -0.19 1.25 2.76 0.59 0.43 115.15 120.59 1ygw h HIS 27 Ca 0.18 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 1ygw h HIS 27 Cb -0.06 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1ygw h HIS 27 CO -0.00 0.27 0.18 0.93 -1.30 0.00 0.00 177.93 178.01 1ygw h GLU 28 N -0.39 0.00 0.00 5.26 5.08 0.53 0.58 114.58 125.63 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 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ygw h GLU 28 CO 0.01 0.00 -0.78 -0.44 -1.00 0.00 0.00 179.01 176.80 1ygw h ASP 29 N 0.00 0.00 -0.28 1.42 5.19 -0.80 -3.48 116.42 118.47 1ygw h ASP 29 Ca 0.09 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.30 1ygw h ASP 29 Cb 0.45 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1ygw h ASP 29 CO -0.00 0.06 -0.08 0.61 -3.12 0.00 0.00 179.24 176.71 1ygw n GLY 30 N 1.26 0.54 4.03 2.75 0.00 0.20 -5.03 105.19 108.94 1ygw n GLY 30 Ca 0.02 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.85 2.26 0.34 1.61 0.41 0.12 -4.99 118.70 115.60 1ygw s GLU 31 Ca 0.00 -1.71 0.05 0.00 -0.41 0.00 0.00 54.97 52.90 1ygw s GLU 31 Cb 0.00 -2.58 -0.07 0.00 -1.78 0.00 0.00 34.13 29.70 1ygw s GLU 31 CO 0.00 -0.89 0.03 0.95 -0.49 0.00 0.00 175.26 174.87 1ygw s THR 32 N -2.70 1.47 -0.13 3.63 -4.23 -1.26 -4.42 115.64 107.99 1ygw s THR 32 Ca 0.59 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1ygw s THR 32 Cb -0.05 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1ygw s THR 32 CO 0.38 -0.03 -0.16 0.68 -0.54 0.00 0.00 174.62 174.95 1ygw s VAL 33 N -3.10 2.74 0.00 2.29 -7.23 0.21 -4.95 120.40 110.35 1ygw s VAL 33 Ca 0.35 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1ygw s VAL 33 Cb 0.09 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1ygw s VAL 33 CO 0.16 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.09 1ygw n GLY 34 N 3.66 0.01 1.40 2.32 0.00 -1.06 -2.10 105.19 109.42 1ygw n GLY 34 Ca -0.19 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.70 4.12 -1.16 1.61 7.64 -1.26 -4.85 113.62 119.02 1ygw n SER 35 Ca 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1ygw n SER 35 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.90 0.49 -2.20 6.43 4.13 -1.21 -4.95 115.26 118.84 1ygw n ASN 36 Ca 0.22 -0.58 -0.24 0.00 1.68 0.00 0.00 54.58 55.66 1ygw n ASN 36 Cb 0.78 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 39.04 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 -1.45 4.68 -4.75 6.41 3.41 -1.26 -4.48 113.62 116.17 1ygw n SER 37 Ca 0.00 -3.66 -0.34 0.00 -0.26 0.00 0.00 58.87 54.61 1ygw n SER 37 Cb 0.00 -0.39 -0.08 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 3.27 0.00 7.33 1.51 -1.26 -3.94 117.35 120.67 1ygw s TYR 38 Ca 0.49 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1ygw s TYR 38 Cb 0.40 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1ygw s TYR 38 CO -0.03 0.54 0.00 -0.35 -1.11 0.00 0.00 175.55 174.60 1ygw n PRO 39 N 1.60 0.57 0.00 -1.71 -0.04 -1.26 0.64 135.00 134.80 1ygw n PRO 39 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ygw n PRO 39 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ygw n PRO 39 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygw n HIS 40 N -0.83 0.00 -0.95 0.54 1.44 -1.14 -4.95 115.22 109.34 1ygw n HIS 40 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 1ygw n HIS 40 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 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 -0.47 -0.15 -0.02 -1.40 3.00 -1.26 -0.19 118.16 117.67 1ygw n LYS 41 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ygw n LYS 41 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.88 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 -3.04 0.00 0.00 5.64 4.19 -0.61 -4.16 117.16 119.19 1ygw n TYR 42 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1ygw n TYR 42 Cb 0.62 0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.49 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 -4.24 2.98 5.03 -1.26 -4.61 115.26 113.15 1ygw n ASN 43 Ca 0.00 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.11 1ygw n ASN 43 Cb 0.51 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.36 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 -3.65 0.00 6.41 6.94 -1.26 -4.89 115.26 118.80 1ygw n ASN 44 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 1ygw n ASN 44 Cb 0.00 -1.02 0.00 0.00 -2.36 0.00 0.00 39.78 36.40 1ygw n ASN 44 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ygw n TYR 45 N -3.19 -0.54 0.26 -2.53 4.01 -1.26 -4.90 117.16 109.00 1ygw n TYR 45 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 1ygw n TYR 45 Cb 0.55 0.11 0.17 0.00 -0.31 0.00 0.00 39.34 39.86 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 5.08 -1.94 -3.41 114.58 113.60 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 -1.49 0.67 3.77 -3.84 0.00 -1.26 -5.12 105.19 97.92 1ygw n GLY 47 Ca 0.03 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.76 3.48 -1.00 1.61 0.08 -1.26 -5.00 117.98 115.14 1ygw s PHE 48 Ca 0.00 0.49 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1ygw s PHE 48 Cb 0.00 -2.17 0.32 0.00 -0.57 0.00 0.00 43.02 40.60 1ygw s PHE 48 CO 0.00 0.40 1.88 -0.25 -0.10 0.00 0.00 175.22 177.15 1ygw n ASP 49 N 3.09 7.41 -4.60 1.36 9.92 -1.26 -4.96 116.55 127.52 1ygw n ASP 49 Ca -0.16 -3.71 -0.47 0.00 -0.53 0.00 0.00 54.79 49.92 1ygw n ASP 49 Cb 0.53 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 39.81 1ygw n ASP 49 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ygw n PHE 50 N -0.12 2.06 0.07 1.24 3.72 -1.26 -4.76 117.46 118.41 1ygw n PHE 50 Ca 0.49 -0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.89 1ygw n PHE 50 Cb 0.26 -2.66 0.03 0.00 -0.94 0.00 0.00 39.48 36.17 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 8.97 0.00 -4.64 4.37 3.41 -1.26 -4.51 113.62 119.95 1ygw n SER 51 Ca 0.29 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 1ygw n SER 51 Cb 0.33 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.09 3.68 0.69 -3.33 -7.23 -1.26 -5.11 120.40 105.76 1ygw s VAL 52 Ca 0.02 -1.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1ygw s VAL 52 Cb 0.01 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 34.26 1ygw s VAL 52 CO 0.01 0.05 0.98 -0.55 -0.31 0.00 0.00 175.10 175.29 1ygw s SER 53 N -2.44 4.69 0.74 4.85 0.15 -1.26 -5.04 113.70 115.39 1ygw s SER 53 Ca 0.25 0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.95 1ygw s SER 53 Cb -0.11 -0.77 0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1ygw s SER 53 CO 0.17 -1.64 1.12 -0.94 1.20 0.00 0.00 173.24 173.15 1ygw s SER 54 N -4.57 5.10 0.74 5.45 1.04 -1.26 -4.52 113.70 115.68 1ygw s SER 54 Ca 0.62 1.02 -0.11 0.00 0.48 0.00 0.00 55.95 57.96 1ygw s SER 54 Cb -0.09 -1.71 0.03 0.00 0.10 0.00 0.00 66.02 64.35 1ygw s SER 54 CO 0.44 -1.55 1.08 -2.16 0.98 0.00 0.00 173.24 172.03 1ygw s PRO 55 N -5.43 2.56 -0.17 4.02 0.04 -1.26 -4.89 135.00 129.87 1ygw s PRO 55 Ca 0.60 0.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1ygw s PRO 55 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ygw s PRO 55 CO 0.51 -1.33 -0.01 0.71 0.04 0.00 0.00 177.00 176.92 1ygw s TYR 56 N -3.09 3.07 -0.28 0.56 2.02 -1.24 -3.41 117.35 114.97 1ygw s TYR 56 Ca 0.59 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 56.97 1ygw s TYR 56 Cb -0.14 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1ygw s TYR 56 CO 0.55 -0.07 0.02 0.71 -1.57 0.00 0.00 175.55 175.19 1ygw s TYR 57 N 0.57 3.15 0.19 2.71 2.02 7.66 -1.57 117.35 132.08 1ygw s TYR 57 Ca -0.01 -1.36 -0.30 0.00 -0.37 0.00 0.00 57.07 55.03 1ygw s TYR 57 Cb -0.14 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.18 1ygw s TYR 57 CO 0.02 -0.68 1.04 -1.83 -1.57 0.00 0.00 175.55 172.53 1ygw s GLU 58 N 1.39 4.68 -0.20 -0.62 -1.05 0.73 0.14 118.70 123.77 1ygw s GLU 58 Ca 0.00 1.62 -0.20 0.00 -0.15 0.00 0.00 54.97 56.25 1ygw s GLU 58 Cb -0.18 -3.29 0.05 0.00 -0.44 0.00 0.00 34.13 30.28 1ygw s GLU 58 CO -0.00 0.22 0.56 -0.46 0.95 0.00 0.00 175.26 176.52 1ygw s TRP 59 N -0.53 -0.60 0.12 4.83 -0.11 1.71 -2.88 118.94 121.47 1ygw s TRP 59 Ca 0.46 1.46 -0.30 0.00 1.22 0.00 0.00 56.10 58.94 1ygw s TRP 59 Cb -0.28 0.21 -0.06 0.00 -1.50 0.00 0.00 33.47 31.84 1ygw s TRP 59 CO 0.34 -0.31 1.14 -1.25 -4.62 0.00 0.00 176.95 172.25 1ygw s PRO 60 N 0.20 4.52 -0.35 5.86 0.04 -1.26 0.73 135.00 144.73 1ygw s PRO 60 Ca -0.01 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1ygw s PRO 60 Cb -0.04 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.20 1ygw s PRO 60 CO 0.01 -0.08 0.20 -1.50 0.04 0.00 0.00 177.00 175.67 1ygw s ILE 61 N 0.40 4.69 -0.30 0.56 2.07 -0.42 -4.57 121.20 123.62 1ygw s ILE 61 Ca 0.54 -0.65 -0.22 0.00 -1.41 0.00 0.00 60.65 58.90 1ygw s ILE 61 Cb -0.29 -3.53 -0.00 0.00 0.13 0.00 0.00 42.46 38.77 1ygw s ILE 61 CO 0.32 -0.13 0.72 -0.76 -1.91 0.00 0.00 174.94 173.19 1ygw s LEU 62 N 1.60 4.11 0.22 8.50 1.43 -1.26 -4.62 118.68 128.66 1ygw s LEU 62 Ca 0.03 0.58 0.15 0.00 -1.03 0.00 0.00 54.13 53.87 1ygw s LEU 62 Cb -0.18 -2.97 0.80 0.00 0.03 0.00 0.00 46.19 43.86 1ygw s LEU 62 CO 0.07 -0.55 1.45 -0.24 0.23 0.00 0.00 176.35 177.31 1ygw n SER 63 N 6.06 0.38 0.16 2.29 2.88 -1.26 0.35 113.62 124.49 1ygw n SER 63 Ca 0.02 0.68 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 1ygw n SER 63 Cb 0.48 -0.73 0.29 0.00 -0.75 0.00 0.00 64.21 63.51 1ygw n SER 63 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ygw h SER 64 N 0.00 0.00 -0.65 -3.46 0.02 -2.03 -3.47 113.55 103.95 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 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 1.18 0.89 2.02 -3.77 0.00 0.16 -5.08 105.19 100.59 1ygw n GLY 65 Ca 0.05 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 1.35 1.94 -4.10 1.61 9.92 -1.25 -5.06 116.55 120.96 1ygw n ASP 66 Ca 0.00 -2.01 -0.34 0.00 -0.53 0.00 0.00 54.79 51.91 1ygw n ASP 66 Cb 0.42 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.75 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 -1.45 2.89 -0.16 2.53 1.01 -1.26 -4.53 120.40 119.43 1ygw s VAL 67 Ca 0.16 -2.02 -0.36 0.00 0.00 0.00 0.00 61.98 59.77 1ygw s VAL 67 Cb -0.01 -2.96 -0.17 0.00 0.00 0.00 0.00 36.38 33.24 1ygw s VAL 67 CO 0.10 -0.54 1.07 0.00 0.00 0.00 0.00 175.10 175.73 1ygw n TYR 68 N 4.49 0.90 -1.65 5.22 9.36 -1.26 -4.81 117.16 129.41 1ygw n TYR 68 Ca -0.03 0.92 -0.37 0.00 3.32 0.00 0.00 57.90 61.74 1ygw n TYR 68 Cb 0.42 -1.79 0.06 0.00 -0.63 0.00 0.00 39.34 37.39 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 2.07 7.53 -1.13 2.98 3.41 -1.26 -4.70 113.62 122.52 1ygw n SER 69 Ca 0.20 -3.81 0.06 0.00 -0.26 0.00 0.00 58.87 55.06 1ygw n SER 69 Cb 0.02 -1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 1ygw n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ygw n GLY 70 N -0.72 -3.50 0.00 5.00 0.00 -0.89 -2.57 105.19 102.51 1ygw n GLY 70 Ca 0.58 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.00 0.42 2.51 -0.02 0.00 -1.26 -4.69 105.19 99.14 1ygw n GLY 71 Ca -0.03 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 1ygw n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 72 N 0.00 2.64 -1.69 1.61 7.64 -1.26 -4.93 113.62 117.62 1ygw n SER 72 Ca 0.00 -3.17 -0.01 0.00 1.01 0.00 0.00 58.87 56.70 1ygw n SER 72 Cb 0.00 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ygw n PRO 73 N 1.41 0.85 -1.62 1.43 -0.04 -1.26 -4.88 135.00 130.89 1ygw n PRO 73 Ca 0.26 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 1ygw n PRO 73 Cb 0.42 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.76 1.36 0.00 0.55 0.00 -1.26 -3.26 105.19 104.34 1ygw n GLY 74 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 9.72 0.00 -4.05 4.61 0.00 -1.26 -4.75 120.51 124.77 1ygw n ALA 75 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 1ygw n ALA 75 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 3.05 -0.01 0.00 1.01 -1.20 -0.22 116.67 119.29 1ygw s ASP 76 Ca 0.00 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.58 1ygw s ASP 76 Cb 0.00 -1.30 0.00 0.00 1.01 0.00 0.00 42.92 42.63 1ygw s ASP 76 CO 0.00 -0.06 0.04 -0.13 0.21 0.00 0.00 175.17 175.23 1ygw s ARG 77 N 1.39 0.14 0.08 8.23 1.81 -0.20 -1.30 118.95 129.10 1ygw s ARG 77 Ca 0.03 -0.09 0.07 0.00 -1.72 0.00 0.00 55.73 54.02 1ygw s ARG 77 Cb -0.14 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 1ygw s ARG 77 CO -0.11 -0.02 -0.14 0.14 -0.68 0.00 0.00 175.30 174.49 1ygw s VAL 78 N -0.36 3.13 -0.21 3.52 -7.23 3.62 -0.35 120.40 122.52 1ygw s VAL 78 Ca -0.04 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 1ygw s VAL 78 Cb -0.03 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.56 1ygw s VAL 78 CO 0.00 0.20 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.28 1ygw s VAL 79 N -1.10 1.15 0.00 1.32 1.01 0.18 0.47 120.40 123.44 1ygw s VAL 79 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1ygw s VAL 79 Cb -0.11 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1ygw s VAL 79 CO 0.10 -0.11 0.00 2.22 0.00 0.00 0.00 175.10 177.31 1ygw n PHE 80 N 4.82 0.00 -4.06 5.22 -1.74 0.36 0.29 117.46 122.35 1ygw n PHE 80 Ca -0.11 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.75 1ygw n PHE 80 Cb 0.45 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.95 1.27 -0.98 5.98 3.02 0.12 1.07 115.26 124.77 1ygw n ASN 81 Ca 0.00 -1.23 0.04 0.00 -0.03 0.00 0.00 54.58 53.35 1ygw n ASN 81 Cb 0.00 0.09 0.17 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.11 2.48 -0.01 3.52 2.13 -1.26 -3.32 120.64 124.08 1ygw n GLU 82 Ca -0.01 -1.33 0.07 0.00 0.66 0.00 0.00 57.16 56.55 1ygw n GLU 82 Cb 0.07 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 29.97 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 0.32 1.56 0.00 4.31 6.94 -1.26 -4.98 115.26 122.14 1ygw n ASN 83 Ca 0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1ygw n ASN 83 Cb 0.57 1.63 0.00 0.00 -2.36 0.00 0.00 39.78 39.62 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1ygw n ASN 84 N -1.97 0.00 -4.24 0.53 2.04 -1.21 -5.09 115.26 105.32 1ygw n ASN 84 Ca -0.02 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.77 1ygw n ASN 84 Cb 0.38 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.48 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 -0.44 3.05 0.01 -3.83 -0.21 -1.26 -4.95 119.66 112.02 1ygw s GLN 85 Ca 0.00 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1ygw s GLN 85 Cb 0.00 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1ygw s GLN 85 CO 0.00 -0.32 0.12 -1.17 -2.12 0.00 0.00 175.29 171.80 1ygw s LEU 86 N 1.39 4.08 0.00 2.90 0.20 -1.26 -0.71 118.68 125.28 1ygw s LEU 86 Ca 0.03 0.20 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1ygw s LEU 86 Cb -0.16 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.15 1ygw s LEU 86 CO -0.04 0.25 0.00 0.00 -0.29 0.00 0.00 176.35 176.27 1ygw n ALA 87 N 0.96 0.74 -0.08 5.97 0.00 0.84 -4.81 120.51 124.13 1ygw n ALA 87 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ygw n ALA 87 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.30 0.86 1.42 0.00 0.00 0.67 -4.36 105.19 103.47 1ygw n GLY 88 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 3.24 1.81 -0.71 1.61 0.31 -1.16 0.48 118.33 123.89 1ygw n VAL 89 Ca 0.00 -0.63 -0.29 0.00 -0.01 0.00 0.00 64.34 63.41 1ygw n VAL 89 Cb 0.00 -1.12 0.25 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.77 1.65 -0.13 2.52 -0.00 0.53 0.21 121.20 125.21 1ygw s ILE 90 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.47 1ygw s ILE 90 Cb 0.10 -2.23 0.10 0.00 -0.00 0.00 0.00 42.46 40.42 1ygw s ILE 90 CO 0.01 0.00 0.83 0.28 -0.00 0.00 0.00 174.94 176.06 1ygw s THR 91 N -2.61 0.00 -2.00 8.37 -1.32 0.11 -1.03 115.64 117.16 1ygw s THR 91 Ca 0.69 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.31 1ygw s THR 91 Cb -0.17 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.24 1ygw s THR 91 CO 0.59 0.00 1.29 1.41 -2.21 0.00 0.00 174.62 175.70 1ygw n HIS 92 N 1.09 0.00 -0.69 9.09 8.25 0.69 -3.06 115.22 130.60 1ygw n HIS 92 Ca -0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1ygw n HIS 92 Cb 0.57 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.93 0.00 -3.23 1.59 -1.04 -1.26 0.11 114.28 109.53 1ygw n THR 93 Ca 0.11 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 1ygw n THR 93 Cb 0.05 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.51 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 2.59 -0.23 3.24 3.41 0.00 -1.26 -4.79 105.19 108.15 1ygw n GLY 94 Ca 0.27 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.53 -3.73 0.28 4.61 0.00 0.12 -4.67 120.51 114.59 1ygw n ALA 95 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1ygw n ALA 95 Cb 0.26 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.01 0.00 0.00 0.00 2.88 -1.26 -4.80 113.62 108.44 1ygw n SER 96 Ca 0.02 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1ygw n SER 96 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.41 -0.09 0.66 0.46 0.00 -1.26 -4.84 105.19 99.71 1ygw n GLY 97 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 2.02 -3.16 1.61 4.05 -1.26 -4.90 115.26 113.62 1ygw n ASN 98 Ca 0.00 -1.70 0.00 0.00 0.45 0.00 0.00 54.58 53.33 1ygw n ASN 98 Cb 0.00 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1ygw n ASN 98 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1ygw n ASN 99 N 0.57 -0.72 -4.08 1.20 0.23 -1.26 -5.05 115.26 106.14 1ygw n ASN 99 Ca 0.17 -0.17 -0.13 0.00 -0.53 0.00 0.00 54.58 53.92 1ygw n ASN 99 Cb 0.42 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1ygw s PHE 100 N -0.53 1.26 -0.29 -2.53 0.08 -1.26 -4.66 117.98 110.05 1ygw s PHE 100 Ca 0.00 -1.41 -0.13 0.00 0.12 0.00 0.00 56.93 55.50 1ygw s PHE 100 Cb 0.00 -0.59 0.11 0.00 -0.57 0.00 0.00 43.02 41.96 1ygw s PHE 100 CO 0.00 -0.66 0.70 0.14 -0.10 0.00 0.00 175.22 175.29 1ygw s VAL 101 N -4.04 -0.48 -0.00 -0.44 -7.23 -1.17 -4.86 120.40 102.17 1ygw s VAL 101 Ca 0.39 0.00 -0.34 0.00 -1.81 0.00 0.00 61.98 60.22 1ygw s VAL 101 Cb 0.06 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.88 1ygw s VAL 101 CO 0.14 0.00 1.77 -1.84 -0.31 0.00 0.00 175.10 174.87 1ygw n GLU 102 N 4.84 2.16 -0.43 4.82 0.28 -1.26 0.04 120.64 131.09 1ygw n GLU 102 Ca -0.16 0.79 -0.16 0.00 -0.16 0.00 0.00 57.16 57.47 1ygw n GLU 102 Cb 0.54 -2.60 0.16 0.00 1.43 0.00 0.00 31.44 30.96 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97