#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 5.14 0.06 -3.61 0.00 9.92 -1.26 -4.68 116.55 122.11 1ygw n ASP 3 Ca -0.12 -0.55 -0.29 0.00 -0.53 0.00 0.00 54.79 53.29 1ygw n ASP 3 Cb 0.51 0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 40.91 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 -0.05 1.33 -0.49 1.24 2.02 -1.24 -4.76 117.35 115.40 1ygw s TYR 4 Ca 0.00 -1.88 -0.16 0.00 -0.37 0.00 0.00 57.07 54.66 1ygw s TYR 4 Cb 0.00 -1.42 0.08 0.00 -0.40 0.00 0.00 41.96 40.22 1ygw s TYR 4 CO 0.00 -0.82 0.45 0.99 -1.57 0.00 0.00 175.55 174.60 1ygw s THR 5 N 0.99 5.16 -1.54 -0.71 2.01 -1.24 -2.83 115.64 117.48 1ygw s THR 5 Ca 0.16 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1ygw s THR 5 Cb -0.22 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1ygw s THR 5 CO -0.07 -0.66 2.68 0.00 -0.69 0.00 0.00 174.62 175.87 1ygw n GLY 7 N 3.48 0.96 2.58 0.00 0.00 -1.26 -4.00 105.19 106.95 1ygw n GLY 7 Ca 0.69 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.53 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 2.18 2.68 -2.20 1.61 3.41 -1.26 -5.07 113.62 114.97 1ygw n SER 8 Ca 0.00 -3.13 -0.10 0.00 -0.26 0.00 0.00 58.87 55.37 1ygw n SER 8 Cb 0.00 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 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 -0.19 -0.41 -2.66 4.04 3.02 -1.26 -4.96 115.26 112.84 1ygw n ASN 9 Ca 0.22 -2.17 -0.03 0.00 -0.03 0.00 0.00 54.58 52.56 1ygw n ASN 9 Cb 0.73 0.94 0.11 0.00 -0.61 0.00 0.00 39.78 40.95 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 2.94 1.28 0.00 -0.85 -1.13 -4.37 117.35 115.27 1ygw s TYR 11 Ca 0.20 -2.49 -0.21 0.00 -0.52 0.00 0.00 57.07 54.04 1ygw s TYR 11 Cb 0.29 -2.43 0.33 0.00 0.38 0.00 0.00 41.96 40.53 1ygw s TYR 11 CO -0.20 -0.92 0.92 -1.13 -1.52 0.00 0.00 175.55 172.70 1ygw n SER 12 N 4.49 -3.12 0.24 -0.18 3.41 -1.24 -3.65 113.62 113.57 1ygw n SER 12 Ca 0.01 -0.97 0.10 0.00 -0.26 0.00 0.00 58.87 57.75 1ygw n SER 12 Cb 0.42 -0.94 0.54 0.00 -0.26 0.00 0.00 64.21 63.97 1ygw n SER 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ygw h SER 13 N -3.12 0.00 0.86 4.04 4.64 -1.95 1.30 113.55 119.32 1ygw h SER 13 Ca -0.38 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.71 1ygw h SER 13 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1ygw h SER 13 CO 0.24 0.00 -1.16 -1.28 -0.87 0.00 0.00 176.83 173.76 1ygw h SER 14 N 0.00 0.05 0.19 4.97 0.87 -1.95 -3.06 113.55 114.62 1ygw h SER 14 Ca 0.00 -0.06 -0.33 0.00 -1.23 0.00 0.00 61.79 60.17 1ygw h SER 14 Cb 0.65 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1ygw h SER 14 CO 0.00 1.05 -1.60 0.44 -0.53 0.00 0.00 176.83 176.18 1ygw h ASP 15 N 0.01 0.64 -0.19 6.23 5.19 0.13 -3.35 116.42 125.08 1ygw h ASP 15 Ca -0.07 -0.93 0.05 0.00 -0.62 0.00 0.00 57.03 55.46 1ygw h ASP 15 Cb 1.84 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 41.08 1ygw h ASP 15 CO 0.13 1.74 -0.18 0.58 -3.12 0.00 0.00 179.24 178.39 1ygw h VAL 16 N 0.05 0.52 -0.83 -1.35 2.07 -0.94 -1.85 116.25 113.92 1ygw h VAL 16 Ca -0.31 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.34 1ygw h VAL 16 Cb 2.06 0.52 -0.13 0.00 -1.52 0.00 0.00 31.29 32.22 1ygw h VAL 16 CO 0.19 0.00 -0.32 -0.24 0.02 0.00 0.00 177.57 177.22 1ygw n SER 17 N -5.33 -0.54 -0.18 0.57 2.88 -1.16 0.13 113.62 110.00 1ygw n SER 17 Ca -0.02 1.45 -0.04 0.00 -1.33 0.00 0.00 58.87 58.93 1ygw n SER 17 Cb 0.24 -0.33 0.02 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.26 -0.79 2.46 2.02 -1.49 0.95 112.91 116.32 1ygw h THR 18 Ca 0.29 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.49 1ygw h THR 18 Cb 0.50 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1ygw h THR 18 CO -0.82 0.00 0.52 0.00 0.37 0.00 0.00 175.52 175.58 1ygw h ALA 19 N 1.14 1.02 0.75 6.16 0.00 0.11 -2.84 119.26 125.60 1ygw h ALA 19 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ygw h ALA 19 Cb 0.52 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ygw h ALA 19 CO -0.62 0.38 -0.36 1.96 0.00 0.00 0.00 179.25 180.60 1ygw h GLN 20 N 1.04 -0.97 -1.04 0.00 4.20 0.27 -2.16 115.11 116.43 1ygw h GLN 20 Ca 0.30 0.07 0.36 0.00 0.06 0.00 0.00 58.65 59.44 1ygw h GLN 20 Cb -0.07 0.22 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 1ygw h GLN 20 CO -0.08 -0.64 0.67 0.00 -0.67 0.00 0.00 178.83 178.10 1ygw n ALA 21 N -2.54 1.03 0.15 3.87 0.00 0.29 0.24 120.51 123.56 1ygw n ALA 21 Ca -0.14 0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 1ygw n ALA 21 Cb 0.41 -0.81 -0.07 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 1.22 -0.43 -0.79 0.00 0.00 -1.31 0.47 119.26 118.43 1ygw h ALA 22 Ca 0.67 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.47 1ygw h ALA 22 Cb 2.15 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 20.04 1ygw h ALA 22 CO -0.36 -0.49 0.46 0.78 0.00 0.00 0.00 179.25 179.64 1ygw h GLY 23 N -0.93 1.20 0.52 0.00 0.00 0.34 -1.43 103.07 102.78 1ygw h GLY 23 Ca -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ygw h GLY 23 CO 0.07 0.17 -0.25 -1.82 0.00 0.00 0.00 176.54 174.71 1ygw h TYR 24 N 0.81 -0.65 -0.94 5.60 3.20 0.23 0.22 116.97 125.42 1ygw h TYR 24 Ca 0.37 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.31 1ygw h TYR 24 Cb 0.27 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.64 1ygw h TYR 24 CO -0.06 -0.41 -0.56 1.17 -1.64 0.00 0.00 178.16 176.67 1ygw n LYS 25 N -4.36 -0.42 -0.09 1.82 3.00 0.16 0.27 118.16 118.55 1ygw n LYS 25 Ca -0.09 1.48 0.07 0.00 -0.00 0.00 0.00 58.31 59.77 1ygw n LYS 25 Cb 0.28 -2.18 0.42 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 0.51 0.14 3.14 5.85 -1.31 -0.34 115.31 123.29 1ygw h LEU 26 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ygw h LEU 26 Cb 0.39 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ygw h LEU 26 CO -0.89 0.34 -0.07 -0.74 -0.34 0.00 0.00 178.44 176.74 1ygw h HIS 27 N 0.58 -0.17 -0.20 1.25 2.76 0.61 0.59 115.15 120.57 1ygw h HIS 27 Ca 0.24 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 1ygw h HIS 27 Cb 0.22 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1ygw h HIS 27 CO -0.00 0.16 0.19 0.93 -1.30 0.00 0.00 177.93 177.91 1ygw h GLU 28 N -0.51 0.00 0.00 5.26 5.08 0.46 0.59 114.58 125.46 1ygw h GLU 28 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ygw h GLU 28 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ygw h GLU 28 CO 0.03 0.00 -0.78 -0.44 -1.00 0.00 0.00 179.01 176.82 1ygw h ASP 29 N 0.00 0.00 -0.36 1.42 5.19 -0.73 -3.48 116.42 118.47 1ygw h ASP 29 Ca 0.10 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 1ygw h ASP 29 Cb 0.47 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1ygw h ASP 29 CO -0.00 0.07 -0.09 0.61 -3.12 0.00 0.00 179.24 176.70 1ygw n GLY 30 N 1.27 0.54 4.02 2.75 0.00 0.20 -5.03 105.19 108.94 1ygw n GLY 30 Ca 0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.01 2.31 0.43 1.61 0.41 0.17 -4.99 118.70 115.64 1ygw s GLU 31 Ca 0.00 -1.39 0.03 0.00 -0.41 0.00 0.00 54.97 53.20 1ygw s GLU 31 Cb 0.00 -2.60 -0.02 0.00 -1.78 0.00 0.00 34.13 29.73 1ygw s GLU 31 CO 0.00 -0.84 0.09 0.95 -0.49 0.00 0.00 175.26 174.98 1ygw s THR 32 N -2.70 0.78 0.04 3.63 -4.23 -1.26 -4.44 115.64 107.45 1ygw s THR 32 Ca 0.61 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1ygw s THR 32 Cb -0.07 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1ygw s THR 32 CO 0.39 0.00 -0.06 0.68 -0.54 0.00 0.00 174.62 175.09 1ygw s VAL 33 N -3.12 0.38 0.00 2.29 -7.23 -0.63 -4.97 120.40 107.12 1ygw s VAL 33 Ca 0.20 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1ygw s VAL 33 Cb 0.03 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1ygw s VAL 33 CO 0.12 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1ygw n GLY 34 N 1.44 0.80 2.10 2.32 0.00 -1.24 -3.13 105.19 107.47 1ygw n GLY 34 Ca -0.23 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.72 4.47 -0.97 1.61 7.64 -0.79 -4.85 113.62 118.01 1ygw n SER 35 Ca 0.00 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1ygw n SER 35 Cb 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 -0.85 1.26 -2.16 6.43 4.13 -1.18 -5.03 115.26 117.85 1ygw n ASN 36 Ca 0.52 -0.60 -0.25 0.00 1.68 0.00 0.00 54.58 55.94 1ygw n ASN 36 Cb 1.33 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 39.58 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 -1.04 4.83 -4.90 6.41 3.41 -1.26 -4.41 113.62 116.66 1ygw n SER 37 Ca 0.00 -3.72 -0.31 0.00 -0.26 0.00 0.00 58.87 54.58 1ygw n SER 37 Cb 0.00 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 3.47 0.00 7.33 1.51 -1.26 -4.21 117.35 120.60 1ygw s TYR 38 Ca 0.50 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.12 1ygw s TYR 38 Cb 0.41 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1ygw s TYR 38 CO -0.02 0.40 0.00 -0.35 -1.11 0.00 0.00 175.55 174.47 1ygw n PRO 39 N -0.05 -0.36 -3.59 -1.71 -0.04 -1.26 -1.60 135.00 126.40 1ygw n PRO 39 Ca -0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 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 -3.38 -0.04 0.00 0.00 175.50 172.08 1ygw s HIS 40 N -0.91 -0.02 1.08 0.54 -3.43 -1.14 -4.96 115.29 106.44 1ygw s HIS 40 Ca 0.00 -0.02 -0.21 0.00 -0.80 0.00 0.00 55.06 54.02 1ygw s HIS 40 Cb 0.00 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1ygw s HIS 40 CO 0.00 -0.12 -0.49 1.17 -2.00 0.00 0.00 174.74 173.30 1ygw n LYS 41 N -0.45 -1.04 -0.18 -0.38 3.00 -1.26 0.13 118.16 117.98 1ygw n LYS 41 Ca -0.08 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 1ygw n LYS 41 Cb 0.63 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.19 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 -4.08 0.00 0.00 5.64 4.19 0.22 -3.94 117.16 119.19 1ygw n TYR 42 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.66 0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.62 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 -4.29 2.98 5.03 -1.26 -4.68 115.26 113.05 1ygw n ASN 43 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1ygw n ASN 43 Cb 0.52 0.00 0.17 0.00 -1.02 0.00 0.00 39.78 39.45 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ygw n ASN 44 N 0.00 -2.36 0.00 6.41 6.94 -1.26 -4.88 115.26 120.10 1ygw n ASN 44 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1ygw n ASN 44 Cb 0.00 -0.97 0.00 0.00 -2.36 0.00 0.00 39.78 36.45 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 -4.33 -0.07 0.26 -2.53 4.02 -1.26 -4.93 117.16 108.32 1ygw n TYR 45 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.98 1ygw n TYR 45 Cb 0.62 0.01 0.30 0.00 -0.02 0.00 0.00 39.34 40.25 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 4.39 -1.94 -3.41 114.58 112.91 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ygw n GLY 47 N -1.45 0.61 3.73 -3.84 0.00 -1.26 -5.13 105.19 97.85 1ygw n GLY 47 Ca 0.02 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.25 3.39 -1.17 1.61 0.08 -1.26 -5.01 117.98 115.37 1ygw s PHE 48 Ca 0.00 0.29 -0.06 0.00 0.12 0.00 0.00 56.93 57.28 1ygw s PHE 48 Cb 0.00 -2.07 0.25 0.00 -0.57 0.00 0.00 43.02 40.63 1ygw s PHE 48 CO 0.00 0.36 1.66 -0.25 -0.10 0.00 0.00 175.22 176.89 1ygw n ASP 49 N 3.12 5.83 -4.59 1.36 9.92 -1.26 -4.92 116.55 126.02 1ygw n ASP 49 Ca -0.17 -3.28 -0.42 0.00 -0.53 0.00 0.00 54.79 50.39 1ygw n ASP 49 Cb 0.53 -1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 39.62 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ygw s PHE 50 N -1.37 2.34 -0.31 1.24 0.08 -1.26 -4.84 117.98 113.86 1ygw s PHE 50 Ca 0.35 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1ygw s PHE 50 Cb 0.07 -4.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1ygw s PHE 50 CO 0.06 -1.95 0.63 -1.13 -0.10 0.00 0.00 175.22 172.72 1ygw n SER 51 N 9.25 1.77 -4.29 1.36 3.41 -1.26 -4.71 113.62 119.14 1ygw n SER 51 Ca 0.14 -1.48 -0.20 0.00 -0.26 0.00 0.00 58.87 57.07 1ygw n SER 51 Cb 0.49 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.13 1.59 0.15 -3.33 -7.23 -1.26 -5.06 120.40 105.13 1ygw s VAL 52 Ca 0.00 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 1ygw s VAL 52 Cb 0.00 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1ygw s VAL 52 CO 0.00 -0.40 0.60 -0.55 -0.31 0.00 0.00 175.10 174.44 1ygw s SER 53 N -2.66 6.95 1.18 4.85 0.15 -1.26 -5.03 113.70 117.88 1ygw s SER 53 Ca 0.14 1.22 -0.15 0.00 0.70 0.00 0.00 55.95 57.85 1ygw s SER 53 Cb -0.05 -2.34 0.28 0.00 -1.71 0.00 0.00 66.02 62.20 1ygw s SER 53 CO 0.05 0.13 1.03 -0.94 1.20 0.00 0.00 173.24 174.71 1ygw s SER 54 N -1.55 0.95 0.65 5.45 1.04 -1.26 -4.68 113.70 114.30 1ygw s SER 54 Ca 0.37 1.23 -0.13 0.00 0.48 0.00 0.00 55.95 57.90 1ygw s SER 54 Cb -0.17 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1ygw s SER 54 CO 0.20 -4.17 1.06 -2.16 0.98 0.00 0.00 173.24 169.14 1ygw s PRO 55 N -4.75 3.13 -0.29 4.02 0.04 -1.26 -4.83 135.00 131.07 1ygw s PRO 55 Ca 0.68 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 55 Cb -0.21 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1ygw s PRO 55 CO 0.61 -0.95 0.22 0.71 0.04 0.00 0.00 177.00 177.64 1ygw s TYR 56 N -2.81 3.22 -0.19 0.56 2.02 -1.24 -3.60 117.35 115.31 1ygw s TYR 56 Ca 0.60 0.11 -0.09 0.00 -0.37 0.00 0.00 57.07 57.32 1ygw s TYR 56 Cb -0.15 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 1ygw s TYR 56 CO 0.47 -0.20 0.11 0.71 -1.57 0.00 0.00 175.55 175.07 1ygw s TYR 57 N 1.80 3.37 0.06 2.71 2.02 4.93 0.72 117.35 132.96 1ygw s TYR 57 Ca 0.08 0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.90 1ygw s TYR 57 Cb -0.16 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1ygw s TYR 57 CO 0.11 0.27 0.44 -1.83 -1.57 0.00 0.00 175.55 172.97 1ygw s GLU 58 N 0.29 3.89 -0.25 -0.62 4.04 0.35 0.23 118.70 126.62 1ygw s GLU 58 Ca 0.07 0.37 -0.26 0.00 0.04 0.00 0.00 54.97 55.19 1ygw s GLU 58 Cb -0.11 -3.09 0.08 0.00 0.02 0.00 0.00 34.13 31.02 1ygw s GLU 58 CO -0.01 0.60 0.77 -0.46 -1.84 0.00 0.00 175.26 174.32 1ygw s TRP 59 N -1.26 -0.72 0.46 4.83 -0.11 -0.11 -2.90 118.94 119.13 1ygw s TRP 59 Ca 0.30 1.71 -0.21 0.00 1.22 0.00 0.00 56.10 59.12 1ygw s TRP 59 Cb -0.16 0.30 -0.09 0.00 -1.50 0.00 0.00 33.47 32.03 1ygw s TRP 59 CO 0.16 -0.38 1.04 -1.25 -4.62 0.00 0.00 176.95 171.91 1ygw s PRO 60 N 0.18 3.90 -0.22 5.86 0.04 -1.26 0.68 135.00 144.18 1ygw s PRO 60 Ca -0.01 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1ygw s PRO 60 Cb -0.04 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ygw s PRO 60 CO 0.01 -0.35 -0.13 -1.50 0.04 0.00 0.00 177.00 175.06 1ygw s ILE 61 N -1.90 2.35 -0.19 0.56 2.07 -0.69 -4.56 121.20 118.84 1ygw s ILE 61 Ca 0.65 -1.12 -0.27 0.00 -1.41 0.00 0.00 60.65 58.49 1ygw s ILE 61 Cb -0.18 -2.15 -0.00 0.00 0.13 0.00 0.00 42.46 40.26 1ygw s ILE 61 CO 0.22 0.30 0.95 -0.76 -1.91 0.00 0.00 174.94 173.74 1ygw s LEU 62 N 1.26 4.15 0.32 8.50 1.43 -1.26 -4.65 118.68 128.43 1ygw s LEU 62 Ca 0.00 1.31 0.19 0.00 -1.03 0.00 0.00 54.13 54.60 1ygw s LEU 62 Cb -0.16 -3.41 1.05 0.00 0.03 0.00 0.00 46.19 43.70 1ygw s LEU 62 CO -0.08 -0.53 1.56 -1.54 0.23 0.00 0.00 176.35 175.98 1ygw n SER 63 N 5.73 0.50 0.18 2.29 3.41 -1.26 0.96 113.62 125.42 1ygw n SER 63 Ca 0.08 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 1ygw n SER 63 Cb 0.47 -0.74 0.22 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.37 4.04 0.02 -1.99 -3.48 113.55 111.78 1ygw h SER 64 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ygw h SER 64 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 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 1.17 0.89 1.33 -3.77 0.00 0.27 -5.08 105.19 100.00 1ygw n GLY 65 Ca 0.04 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 1.45 -4.22 1.61 9.92 -1.25 -4.98 116.55 120.36 1ygw n ASP 66 Ca 0.00 -1.64 -0.39 0.00 -0.53 0.00 0.00 54.79 52.23 1ygw n ASP 66 Cb 0.36 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.71 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 -0.82 4.00 -0.88 2.53 1.01 -1.26 -4.38 120.40 120.60 1ygw s VAL 67 Ca 0.13 -1.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.18 1ygw s VAL 67 Cb -0.01 -3.54 -0.19 0.00 0.00 0.00 0.00 36.38 32.64 1ygw s VAL 67 CO 0.08 -0.59 2.61 0.00 0.00 0.00 0.00 175.10 177.20 1ygw n TYR 68 N 4.85 0.75 -2.25 5.22 9.36 -1.26 -4.72 117.16 129.10 1ygw n TYR 68 Ca -0.08 0.37 -0.11 0.00 3.32 0.00 0.00 57.90 61.40 1ygw n TYR 68 Cb 0.42 -2.41 0.05 0.00 -0.63 0.00 0.00 39.34 36.77 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 11.05 3.18 -0.00 2.98 3.41 -1.26 -4.65 113.62 128.33 1ygw n SER 69 Ca 0.61 -3.11 -0.02 0.00 -0.26 0.00 0.00 58.87 56.09 1ygw n SER 69 Cb 0.10 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.63 -0.16 0.00 5.00 0.00 -1.26 -3.90 105.19 104.24 1ygw n GLY 70 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ygw n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ygw n GLY 71 N 2.76 1.64 2.73 -0.02 0.00 -1.26 -1.89 105.19 109.15 1ygw n GLY 71 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 1.22 -0.03 1.61 7.64 -1.26 -4.64 113.62 118.16 1ygw n SER 72 Ca 0.00 -2.42 -0.15 0.00 1.01 0.00 0.00 58.87 57.31 1ygw n SER 72 Cb 0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 62.70 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ygw h PRO 73 N 2.73 0.15 -1.71 1.43 0.13 -1.95 -3.48 132.00 129.30 1ygw h PRO 73 Ca -0.14 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ygw h PRO 73 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ygw h PRO 73 CO 0.33 0.86 -0.12 0.41 -0.23 0.00 0.00 178.00 179.25 1ygw n GLY 74 N 0.93 0.00 0.00 1.56 0.00 -1.26 -4.48 105.19 101.94 1ygw n GLY 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.90 0.00 -2.26 4.61 0.00 -1.26 -4.82 120.51 117.68 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 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 6.91 -0.16 0.00 1.01 -1.26 -1.20 116.67 117.97 1ygw s ASP 76 Ca 0.00 2.19 -0.11 0.00 0.71 0.00 0.00 52.55 55.35 1ygw s ASP 76 Cb 0.00 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.40 1ygw s ASP 76 CO 0.00 -0.60 0.41 -0.13 0.21 0.00 0.00 175.17 175.05 1ygw s ARG 77 N 1.26 0.42 -0.22 8.23 1.81 -0.60 -1.70 118.95 128.14 1ygw s ARG 77 Ca 0.62 0.71 -0.06 0.00 -1.72 0.00 0.00 55.73 55.28 1ygw s ARG 77 Cb -0.34 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.20 1ygw s ARG 77 CO 0.29 -0.12 0.03 0.14 -0.68 0.00 0.00 175.30 174.96 1ygw s VAL 78 N 1.00 4.14 -0.09 3.52 -7.23 3.14 -0.95 120.40 123.92 1ygw s VAL 78 Ca -0.06 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 1ygw s VAL 78 Cb -0.07 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 1ygw s VAL 78 CO -0.08 0.39 0.30 -0.69 -0.31 0.00 0.00 175.10 174.71 1ygw s VAL 79 N 1.22 5.26 0.00 1.32 1.01 -1.24 -0.93 120.40 127.04 1ygw s VAL 79 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1ygw s VAL 79 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ygw s VAL 79 CO 0.02 0.52 0.00 2.22 0.00 0.00 0.00 175.10 177.86 1ygw n PHE 80 N 2.54 -0.17 -4.08 5.22 -1.74 0.61 0.93 117.46 120.77 1ygw n PHE 80 Ca -0.15 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.70 1ygw n PHE 80 Cb 0.53 0.00 -0.01 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 -1.08 0.71 -0.97 5.98 3.02 -0.35 0.86 115.26 123.42 1ygw n ASN 81 Ca 0.00 -1.39 0.03 0.00 -0.03 0.00 0.00 54.58 53.19 1ygw n ASN 81 Cb 0.00 0.21 0.16 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.15 2.42 -0.02 3.52 2.13 -1.25 -3.30 120.64 123.99 1ygw n GLU 82 Ca -0.00 -1.24 0.02 0.00 0.66 0.00 0.00 57.16 56.59 1ygw n GLU 82 Cb 0.11 -1.71 -0.09 0.00 0.27 0.00 0.00 31.44 30.03 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 0.28 2.40 0.00 4.31 6.94 -1.26 -4.99 115.26 122.93 1ygw n ASN 83 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1ygw n ASN 83 Cb 0.57 1.25 0.00 0.00 -2.36 0.00 0.00 39.78 39.23 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 -2.07 0.00 -4.61 0.53 2.04 -1.21 -5.10 115.26 104.84 1ygw n ASN 84 Ca -0.07 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.72 1ygw n ASN 84 Cb 0.49 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.64 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 -0.26 3.53 0.01 -3.83 -0.21 -1.26 -4.94 119.66 112.69 1ygw s GLN 85 Ca 0.00 -0.42 -0.25 0.00 0.02 0.00 0.00 55.36 54.71 1ygw s GLN 85 Cb 0.00 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 1ygw s GLN 85 CO 0.00 0.42 0.78 -0.48 -2.12 0.00 0.00 175.29 173.89 1ygw s LEU 86 N -0.09 4.40 0.12 2.90 0.05 -1.26 -1.21 118.68 123.58 1ygw s LEU 86 Ca 0.04 1.41 -0.10 0.00 0.05 0.00 0.00 54.13 55.54 1ygw s LEU 86 Cb -0.13 -3.25 -0.12 0.00 -2.05 0.00 0.00 46.19 40.65 1ygw s LEU 86 CO 0.02 -0.07 1.31 0.00 -0.55 0.00 0.00 176.35 177.06 1ygw h ALA 87 N 6.16 0.34 0.00 1.48 0.00 4.38 -3.42 119.26 128.20 1ygw h ALA 87 Ca -0.43 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1ygw h ALA 87 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ygw h ALA 87 CO 0.73 0.72 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1ygw n GLY 88 N 0.77 -0.70 2.59 0.00 0.00 -1.13 -4.13 105.19 102.59 1ygw n GLY 88 Ca -0.07 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.07 0.61 1.61 1.01 -1.26 -3.70 120.40 114.59 1ygw s VAL 89 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 60.59 1ygw s VAL 89 Cb 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1ygw s VAL 89 CO 0.00 -0.80 0.91 0.27 0.00 0.00 0.00 175.10 175.48 1ygw s ILE 90 N 1.32 3.43 -0.13 2.22 -4.36 -0.12 0.66 121.20 124.22 1ygw s ILE 90 Ca 0.17 -0.06 -0.28 0.00 -0.26 0.00 0.00 60.65 60.22 1ygw s ILE 90 Cb -0.19 -3.37 0.07 0.00 1.25 0.00 0.00 42.46 40.21 1ygw s ILE 90 CO -0.04 -0.38 0.67 0.28 0.24 0.00 0.00 174.94 175.70 1ygw s THR 91 N -3.02 0.00 -0.39 8.37 -1.32 0.87 -1.56 115.64 118.58 1ygw s THR 91 Ca 0.55 -0.02 0.21 0.00 -1.21 0.00 0.00 61.69 61.22 1ygw s THR 91 Cb -0.11 -0.97 0.22 0.00 -1.51 0.00 0.00 72.50 70.14 1ygw s THR 91 CO 0.45 -0.01 1.65 1.41 -2.21 0.00 0.00 174.62 175.91 1ygw n HIS 92 N 1.60 0.72 -1.45 9.09 8.25 -0.34 -2.51 115.22 130.57 1ygw n HIS 92 Ca -0.17 0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 57.32 1ygw n HIS 92 Cb 0.56 -1.02 0.13 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.40 2.41 -1.64 1.59 2.01 -1.26 -3.64 115.64 111.70 1ygw s THR 93 Ca 0.01 0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 1ygw s THR 93 Cb 0.08 -2.81 0.21 0.00 0.01 0.00 0.00 72.50 69.98 1ygw s THR 93 CO 0.28 -0.17 0.52 0.61 -0.69 0.00 0.00 174.62 175.17 1ygw n GLY 94 N -1.90 -0.37 3.73 4.40 0.00 -1.26 -4.58 105.19 105.21 1ygw n GLY 94 Ca 0.06 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw s ALA 95 N -2.99 3.79 -0.66 4.61 0.00 -1.24 -4.83 121.76 120.43 1ygw s ALA 95 Ca 0.73 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ygw s ALA 95 Cb -0.43 -0.09 0.41 0.00 0.00 0.00 0.00 23.12 23.02 1ygw s ALA 95 CO 0.90 -0.12 1.81 0.45 0.00 0.00 0.00 175.76 178.79 1ygw n SER 96 N -1.23 6.90 0.00 0.00 2.88 -1.26 -4.98 113.62 115.93 1ygw n SER 96 Ca -0.10 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.65 1ygw n SER 96 Cb 0.66 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.69 0.39 0.79 0.46 0.00 -1.26 -4.65 105.19 100.22 1ygw n GLY 97 Ca 0.54 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 2.37 -3.11 1.61 4.05 -1.26 -4.93 115.26 113.99 1ygw n ASN 98 Ca 0.00 -1.82 -0.17 0.00 0.45 0.00 0.00 54.58 53.04 1ygw n ASN 98 Cb 0.00 -0.14 0.16 0.00 1.23 0.00 0.00 39.78 41.03 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 0.79 -2.71 -4.34 1.20 2.04 -1.26 -4.96 115.26 106.03 1ygw n ASN 99 Ca 0.17 -0.62 -0.17 0.00 -0.44 0.00 0.00 54.58 53.52 1ygw n ASN 99 Cb 0.45 -0.56 -0.10 0.00 -2.53 0.00 0.00 39.78 37.04 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1ygw s PHE 100 N -1.78 1.60 -0.28 -2.53 0.08 -1.26 -4.42 117.98 109.39 1ygw s PHE 100 Ca 0.38 -0.82 -0.19 0.00 0.12 0.00 0.00 56.93 56.42 1ygw s PHE 100 Cb -0.06 -0.89 0.09 0.00 -0.57 0.00 0.00 43.02 41.60 1ygw s PHE 100 CO 0.31 0.08 0.79 0.14 -0.10 0.00 0.00 175.22 176.44 1ygw s VAL 101 N -3.29 0.00 -0.00 -0.44 -7.23 -1.04 -4.86 120.40 103.54 1ygw s VAL 101 Ca 0.26 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.07 1ygw s VAL 101 Cb 0.04 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.84 1ygw s VAL 101 CO 0.08 0.00 1.65 -1.84 -0.31 0.00 0.00 175.10 174.67 1ygw n GLU 102 N 3.57 1.78 0.00 4.82 0.28 -1.25 -0.09 120.64 129.75 1ygw n GLU 102 Ca -0.17 0.65 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1ygw n GLU 102 Cb 0.57 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 31.04 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97