#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 1.23 0.26 -3.51 0.00 9.92 -1.26 -4.75 116.55 118.43 1ygw n ASP 3 Ca 0.16 -0.67 -0.29 0.00 -0.53 0.00 0.00 54.79 53.45 1ygw n ASP 3 Cb 0.08 0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.63 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 -0.19 1.02 -0.50 1.24 2.02 -1.25 -4.80 117.35 114.89 1ygw s TYR 4 Ca 0.00 -1.84 -0.16 0.00 -0.37 0.00 0.00 57.07 54.70 1ygw s TYR 4 Cb 0.00 -1.13 0.09 0.00 -0.40 0.00 0.00 41.96 40.52 1ygw s TYR 4 CO 0.00 -0.82 0.46 0.99 -1.57 0.00 0.00 175.55 174.61 1ygw s THR 5 N 0.85 5.17 -1.51 -0.71 2.01 -1.21 -3.03 115.64 117.21 1ygw s THR 5 Ca 0.19 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 1ygw s THR 5 Cb -0.22 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1ygw s THR 5 CO -0.00 -0.70 2.52 0.00 -0.69 0.00 0.00 174.62 175.74 1ygw n GLY 7 N 3.61 0.92 2.52 0.00 0.00 -1.26 -4.02 105.19 106.97 1ygw n GLY 7 Ca 0.63 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 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 2.14 2.34 -2.19 1.61 3.41 -1.26 -5.07 113.62 114.59 1ygw n SER 8 Ca 0.00 -3.15 -0.10 0.00 -0.26 0.00 0.00 58.87 55.36 1ygw n SER 8 Cb 0.00 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 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 -0.06 -0.46 -2.66 4.04 3.02 -1.26 -5.00 115.26 112.88 1ygw n ASN 9 Ca 0.23 -2.16 -0.03 0.00 -0.03 0.00 0.00 54.58 52.58 1ygw n ASN 9 Cb 0.67 1.02 0.11 0.00 -0.61 0.00 0.00 39.78 40.96 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 0.05 1.99 1.11 0.00 -0.85 -1.17 -4.53 117.35 113.95 1ygw s TYR 11 Ca 0.22 -2.07 -0.19 0.00 -0.52 0.00 0.00 57.07 54.51 1ygw s TYR 11 Cb 0.27 -1.88 0.29 0.00 0.38 0.00 0.00 41.96 41.02 1ygw s TYR 11 CO -0.17 -0.86 0.74 -1.13 -1.52 0.00 0.00 175.55 172.61 1ygw n SER 12 N 4.38 -3.20 0.21 -0.18 3.41 -1.26 -3.85 113.62 113.13 1ygw n SER 12 Ca 0.02 -0.79 0.10 0.00 -0.26 0.00 0.00 58.87 57.94 1ygw n SER 12 Cb 0.40 -0.79 0.53 0.00 -0.26 0.00 0.00 64.21 64.09 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 -3.04 0.00 0.91 4.04 4.64 -1.91 1.06 113.55 119.24 1ygw h SER 13 Ca -0.32 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.78 1ygw h SER 13 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 1ygw h SER 13 CO 0.19 0.00 -1.14 -1.28 -0.87 0.00 0.00 176.83 173.73 1ygw h SER 14 N 0.00 0.00 0.21 4.97 0.87 -1.95 -3.01 113.55 114.64 1ygw h SER 14 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1ygw h SER 14 Cb 0.48 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1ygw h SER 14 CO 0.00 0.97 -1.65 0.44 -0.53 0.00 0.00 176.83 176.06 1ygw h ASP 15 N 0.00 0.68 -0.32 6.23 5.19 0.82 -3.34 116.42 125.68 1ygw h ASP 15 Ca -0.07 -0.93 0.05 0.00 -0.62 0.00 0.00 57.03 55.45 1ygw h ASP 15 Cb 1.80 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 41.05 1ygw h ASP 15 CO 0.11 1.76 0.05 0.58 -3.12 0.00 0.00 179.24 178.63 1ygw h VAL 16 N 0.09 0.83 -0.81 -1.35 2.07 -1.07 -2.22 116.25 113.78 1ygw h VAL 16 Ca -0.32 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.28 1ygw h VAL 16 Cb 2.10 0.65 -0.13 0.00 -1.52 0.00 0.00 31.29 32.39 1ygw h VAL 16 CO 0.20 0.03 -0.30 -0.24 0.02 0.00 0.00 177.57 177.28 1ygw n SER 17 N -5.11 -0.50 -0.13 0.57 2.88 -1.13 0.14 113.62 110.34 1ygw n SER 17 Ca 0.01 1.42 -0.05 0.00 -1.33 0.00 0.00 58.87 58.91 1ygw n SER 17 Cb 0.15 -0.34 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.37 -0.82 2.46 2.02 -1.56 0.77 112.91 116.15 1ygw h THR 18 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.50 1ygw h THR 18 Cb 0.50 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1ygw h THR 18 CO -0.81 0.00 0.53 0.00 0.37 0.00 0.00 175.52 175.61 1ygw h ALA 19 N 1.12 1.06 0.62 6.16 0.00 0.13 -2.76 119.26 125.59 1ygw h ALA 19 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ygw h ALA 19 Cb 0.46 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ygw h ALA 19 CO -0.51 0.38 -0.30 1.96 0.00 0.00 0.00 179.25 180.78 1ygw h GLN 20 N 1.05 -0.80 -1.08 0.00 4.20 0.22 -2.09 115.11 116.61 1ygw h GLN 20 Ca 0.32 0.05 0.38 0.00 0.06 0.00 0.00 58.65 59.46 1ygw h GLN 20 Cb -0.04 0.18 -0.11 0.00 0.30 0.00 0.00 27.48 27.81 1ygw h GLN 20 CO -0.10 -0.53 0.68 0.00 -0.67 0.00 0.00 178.83 178.22 1ygw n ALA 21 N -2.46 1.07 0.05 3.87 0.00 0.24 0.23 120.51 123.50 1ygw n ALA 21 Ca -0.13 0.71 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 1ygw n ALA 21 Cb 0.34 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 1.31 -0.21 -0.83 0.00 0.00 -1.30 -0.43 119.26 117.79 1ygw h ALA 22 Ca 0.70 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.52 1ygw h ALA 22 Cb 2.23 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 20.01 1ygw h ALA 22 CO -0.40 -0.29 0.43 0.78 0.00 0.00 0.00 179.25 179.78 1ygw h GLY 23 N -0.87 1.34 0.22 0.00 0.00 0.33 -1.69 103.07 102.40 1ygw h GLY 23 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ygw h GLY 23 CO 0.04 -0.01 -0.11 -1.82 0.00 0.00 0.00 176.54 174.64 1ygw h TYR 24 N 0.64 -0.27 -0.66 5.60 3.20 0.05 0.71 116.97 126.25 1ygw h TYR 24 Ca 0.44 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.38 1ygw h TYR 24 Cb 0.59 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.86 1ygw h TYR 24 CO -0.09 -0.17 -0.34 1.17 -1.64 0.00 0.00 178.16 177.09 1ygw n LYS 25 N -3.27 -0.24 -0.23 1.82 0.00 -0.17 0.40 118.16 116.46 1ygw n LYS 25 Ca -0.04 1.00 -0.04 0.00 0.00 0.00 0.00 58.31 59.24 1ygw n LYS 25 Cb 0.12 -1.48 0.13 0.00 0.00 0.00 0.00 35.03 33.80 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 0.97 -0.14 3.14 5.85 -1.39 -1.14 115.31 122.61 1ygw h LEU 26 Ca 0.15 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ygw h LEU 26 Cb 0.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1ygw h LEU 26 CO -0.63 0.85 0.06 -0.74 -0.34 0.00 0.00 178.44 177.64 1ygw h HIS 27 N 1.04 0.21 -0.03 1.25 2.76 1.00 0.44 115.15 121.81 1ygw h HIS 27 Ca 0.24 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1ygw h HIS 27 Cb 0.18 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1ygw h HIS 27 CO 0.02 0.28 0.02 0.93 -1.30 0.00 0.00 177.93 177.88 1ygw h GLU 28 N 0.07 0.00 0.00 5.26 5.08 0.48 0.26 114.58 125.73 1ygw h GLU 28 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ygw h GLU 28 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ygw h GLU 28 CO -0.00 0.00 -0.59 -0.44 -1.00 0.00 0.00 179.01 176.97 1ygw h ASP 29 N 0.00 0.00 -0.39 1.42 3.32 -0.50 -3.47 116.42 116.80 1ygw h ASP 29 Ca 0.01 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1ygw h ASP 29 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1ygw h ASP 29 CO -0.00 0.07 -0.11 0.61 -1.72 0.00 0.00 179.24 178.09 1ygw n GLY 30 N 1.28 0.59 4.03 2.75 0.00 0.12 -5.03 105.19 108.93 1ygw n GLY 30 Ca 0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1ygw n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ygw s GLU 31 N -2.97 2.31 0.35 1.61 0.41 0.63 -4.99 118.70 116.04 1ygw s GLU 31 Ca 0.00 -1.65 0.02 0.00 -0.41 0.00 0.00 54.97 52.93 1ygw s GLU 31 Cb 0.00 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1ygw s GLU 31 CO 0.00 -0.85 0.07 0.25 -0.49 0.00 0.00 175.26 174.24 1ygw n THR 32 N -2.23 0.00 -3.99 3.63 -2.24 -1.26 -4.43 114.28 103.76 1ygw n THR 32 Ca 0.15 -1.83 -0.21 0.00 -2.27 0.00 0.00 64.05 59.89 1ygw n THR 32 Cb 0.62 0.54 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.59 0.46 0.00 2.28 -7.23 -0.29 -4.95 120.40 108.07 1ygw s VAL 33 Ca 0.09 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 1ygw s VAL 33 Cb 0.00 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.41 1ygw s VAL 33 CO 0.07 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1ygw n GLY 34 N 4.48 0.06 0.01 2.32 0.00 -1.18 -3.74 105.19 107.15 1ygw n GLY 34 Ca -0.18 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 44.94 1ygw n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 35 N 2.54 0.63 -2.41 1.61 3.41 -1.26 -4.87 113.62 113.29 1ygw n SER 35 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1ygw n SER 35 Cb 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ygw n ASN 36 N -1.82 -0.03 -2.40 4.04 4.13 -1.25 -4.99 115.26 112.94 1ygw n ASN 36 Ca 0.02 -0.60 -0.20 0.00 1.68 0.00 0.00 54.58 55.47 1ygw n ASN 36 Cb 0.42 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.67 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 -1.85 3.96 -4.90 6.41 3.41 -1.26 -4.48 113.62 114.90 1ygw n SER 37 Ca 0.00 -3.39 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 1ygw n SER 37 Cb 0.00 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.53 3.53 0.16 7.33 1.51 -1.26 -4.05 117.35 121.04 1ygw s TYR 38 Ca 0.44 0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 56.90 1ygw s TYR 38 Cb 0.40 -1.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1ygw s TYR 38 CO -0.07 0.58 0.18 -0.35 -1.11 0.00 0.00 175.55 174.78 1ygw n PRO 39 N 0.64 -0.75 -3.62 -1.71 -0.04 -1.26 -1.14 135.00 127.12 1ygw n PRO 39 Ca -0.08 -0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 63.09 1ygw n PRO 39 Cb 0.52 -0.22 -0.02 0.00 -0.04 0.00 0.00 33.50 33.75 1ygw n PRO 39 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ygw s HIS 40 N -1.36 -0.02 1.00 0.54 -3.43 -1.20 -4.96 115.29 105.85 1ygw s HIS 40 Ca 0.11 0.01 -0.19 0.00 -0.80 0.00 0.00 55.06 54.19 1ygw s HIS 40 Cb -0.01 0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 31.51 1ygw s HIS 40 CO 0.08 -0.05 -0.85 1.17 -2.00 0.00 0.00 174.74 173.09 1ygw n LYS 41 N -0.11 -0.06 -0.10 -0.38 4.81 -1.26 0.51 118.16 121.57 1ygw n LYS 41 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ygw n LYS 41 Cb 0.58 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.54 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 -2.84 0.00 0.00 5.64 4.19 0.75 -4.08 117.16 120.82 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 0.60 0.07 0.00 0.00 0.49 0.00 0.00 39.34 40.50 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 -4.43 2.98 5.03 -1.26 -4.67 115.26 112.91 1ygw n ASN 43 Ca 0.00 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 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 -1.66 0.00 6.41 6.94 -1.26 -4.88 115.26 120.81 1ygw n ASN 44 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1ygw n ASN 44 Cb 0.00 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 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 -4.21 -0.07 0.27 -2.53 4.01 -1.26 -4.93 117.16 108.45 1ygw n TYR 45 Ca 0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1ygw n TYR 45 Cb 0.56 0.01 0.27 0.00 -0.31 0.00 0.00 39.34 39.87 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 -1.91 -3.41 114.58 113.62 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 -1.45 0.63 3.71 -3.84 0.00 -1.26 -5.12 105.19 97.85 1ygw n GLY 47 Ca 0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.19 3.32 -0.99 1.61 0.08 -1.26 -5.01 117.98 115.53 1ygw s PHE 48 Ca 0.00 0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.25 1ygw s PHE 48 Cb 0.00 -1.98 0.30 0.00 -0.57 0.00 0.00 43.02 40.77 1ygw s PHE 48 CO 0.00 0.37 1.39 -0.25 -0.10 0.00 0.00 175.22 176.63 1ygw n ASP 49 N 2.85 6.05 -4.67 1.36 8.00 -1.26 -4.91 116.55 123.97 1ygw n ASP 49 Ca -0.18 -3.45 -0.42 0.00 0.71 0.00 0.00 54.79 51.45 1ygw n ASP 49 Cb 0.53 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 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 -2.90 2.32 -0.83 1.24 0.08 -1.26 -4.85 117.98 111.78 1ygw s PHE 50 Ca 0.33 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1ygw s PHE 50 Cb 0.08 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1ygw s PHE 50 CO 0.07 -3.21 0.50 -1.13 -0.10 0.00 0.00 175.22 171.35 1ygw n SER 51 N 6.62 1.15 -4.21 1.36 3.41 -1.26 -4.71 113.62 115.97 1ygw n SER 51 Ca 0.16 -1.71 -0.22 0.00 -0.26 0.00 0.00 58.87 56.84 1ygw n SER 51 Cb 0.43 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.80 1.40 0.06 -3.33 -7.23 -1.26 -5.06 120.40 104.17 1ygw s VAL 52 Ca 0.00 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 1ygw s VAL 52 Cb 0.00 -1.26 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 1ygw s VAL 52 CO 0.00 0.00 0.73 -0.44 -0.31 0.00 0.00 175.10 175.08 1ygw s SER 53 N -1.43 7.20 1.01 4.85 0.01 -1.26 -5.01 113.70 119.07 1ygw s SER 53 Ca 0.04 1.43 -0.24 0.00 1.31 0.00 0.00 55.95 58.49 1ygw s SER 53 Cb -0.09 -2.45 -0.16 0.00 0.21 0.00 0.00 66.02 63.53 1ygw s SER 53 CO 0.02 0.08 -1.20 -1.54 0.41 0.00 0.00 173.24 171.02 1ygw n SER 54 N 2.50 -3.84 -4.22 2.44 3.41 -1.26 -4.49 113.62 108.16 1ygw n SER 54 Ca -0.04 0.05 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 1ygw n SER 54 Cb 0.50 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 1ygw n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ygw s PRO 55 N -2.13 0.16 -0.30 4.33 0.04 -1.26 -4.70 135.00 131.13 1ygw s PRO 55 Ca 0.39 -0.08 -0.01 0.00 0.04 0.00 0.00 61.00 61.33 1ygw s PRO 55 Cb 0.00 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.84 1ygw s PRO 55 CO 0.71 -2.79 0.00 0.71 0.04 0.00 0.00 177.00 175.67 1ygw s TYR 56 N -3.40 3.30 -0.26 0.56 2.02 -1.26 -2.91 117.35 115.39 1ygw s TYR 56 Ca 0.70 -1.98 -0.15 0.00 -0.37 0.00 0.00 57.07 55.26 1ygw s TYR 56 Cb -0.09 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1ygw s TYR 56 CO 0.54 -0.83 0.39 0.71 -1.57 0.00 0.00 175.55 174.79 1ygw s TYR 57 N 1.22 3.26 -0.22 2.71 2.02 5.31 0.27 117.35 131.92 1ygw s TYR 57 Ca -0.04 0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 56.91 1ygw s TYR 57 Cb -0.20 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1ygw s TYR 57 CO -0.02 -0.21 0.63 -1.83 -1.57 0.00 0.00 175.55 172.55 1ygw s GLU 58 N 2.02 4.18 0.02 -0.62 -1.05 0.18 0.19 118.70 123.62 1ygw s GLU 58 Ca 0.16 0.59 0.01 0.00 -0.15 0.00 0.00 54.97 55.59 1ygw s GLU 58 Cb -0.16 -3.60 -0.02 0.00 -0.44 0.00 0.00 34.13 29.91 1ygw s GLU 58 CO 0.10 -0.30 -0.06 -0.46 0.95 0.00 0.00 175.26 175.49 1ygw s TRP 59 N 2.11 0.49 0.57 4.83 -0.11 0.94 -3.27 118.94 124.50 1ygw s TRP 59 Ca 0.28 -0.38 -0.17 0.00 1.22 0.00 0.00 56.10 57.05 1ygw s TRP 59 Cb -0.16 -0.30 -0.05 0.00 -1.50 0.00 0.00 33.47 31.46 1ygw s TRP 59 CO 0.10 -0.08 1.05 -1.25 -4.62 0.00 0.00 176.95 172.14 1ygw s PRO 60 N -1.13 3.48 -0.21 5.86 0.04 -1.26 0.70 135.00 142.47 1ygw s PRO 60 Ca -0.08 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.18 1ygw s PRO 60 Cb -0.08 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1ygw s PRO 60 CO -0.00 -0.68 -0.14 -1.50 0.04 0.00 0.00 177.00 174.72 1ygw s ILE 61 N -2.39 1.94 -0.18 0.56 2.07 -1.06 -4.41 121.20 117.74 1ygw s ILE 61 Ca 0.64 -1.19 -0.23 0.00 -1.41 0.00 0.00 60.65 58.46 1ygw s ILE 61 Cb -0.15 -1.94 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 1ygw s ILE 61 CO 0.33 0.22 0.75 -0.76 -1.91 0.00 0.00 174.94 173.57 1ygw s LEU 62 N 1.27 4.16 0.00 8.50 1.43 -1.26 -4.65 118.68 128.13 1ygw s LEU 62 Ca -0.02 1.03 0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1ygw s LEU 62 Cb -0.16 -3.09 0.60 0.00 0.03 0.00 0.00 46.19 43.57 1ygw s LEU 62 CO -0.09 -0.35 1.16 -1.54 0.23 0.00 0.00 176.35 175.76 1ygw n SER 63 N 5.17 0.00 0.02 2.29 3.41 -1.26 -0.68 113.62 122.57 1ygw n SER 63 Ca 0.02 -0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1ygw n SER 63 Cb 0.49 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ygw n SER 64 N -1.13 0.54 -0.38 4.04 7.64 -1.26 -4.98 113.62 118.09 1ygw n SER 64 Ca 0.07 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ygw n SER 64 Cb 0.06 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 1.34 0.96 1.18 0.23 0.00 0.14 -5.08 105.19 103.95 1ygw n GLY 65 Ca 0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 1.21 1.85 -4.12 1.61 9.92 -1.26 -5.02 116.55 120.74 1ygw n ASP 66 Ca 0.00 -1.63 -0.34 0.00 -0.53 0.00 0.00 54.79 52.28 1ygw n ASP 66 Cb 0.40 0.03 -0.13 0.00 -0.64 0.00 0.00 41.12 40.78 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 -1.10 2.91 -0.71 2.53 1.01 -1.26 -4.49 120.40 119.29 1ygw s VAL 67 Ca 0.06 -1.83 -0.34 0.00 0.00 0.00 0.00 61.98 59.87 1ygw s VAL 67 Cb -0.01 -2.88 -0.18 0.00 0.00 0.00 0.00 36.38 33.32 1ygw s VAL 67 CO 0.04 -0.41 2.45 0.00 0.00 0.00 0.00 175.10 177.18 1ygw n TYR 68 N 4.53 0.98 -1.94 5.22 9.36 -1.26 -4.77 117.16 129.27 1ygw n TYR 68 Ca -0.06 0.41 -0.30 0.00 3.32 0.00 0.00 57.90 61.28 1ygw n TYR 68 Cb 0.42 -2.42 0.03 0.00 -0.63 0.00 0.00 39.34 36.75 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 10.50 5.96 -0.06 2.98 3.41 -1.26 -4.71 113.62 130.44 1ygw n SER 69 Ca 0.56 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1ygw n SER 69 Cb 0.12 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.68 5.05 0.02 5.00 0.00 -1.26 -3.58 105.19 109.74 1ygw n GLY 70 Ca 0.49 -1.41 0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.37 2.92 -0.02 0.00 -1.26 -3.09 105.19 103.37 1ygw n GLY 71 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1ygw n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ygw s SER 72 N -3.29 4.23 0.00 1.61 0.01 -1.26 -4.75 113.70 110.25 1ygw s SER 72 Ca -0.03 -2.95 0.00 0.00 1.31 0.00 0.00 55.95 54.28 1ygw s SER 72 Cb 0.04 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1ygw s SER 72 CO 0.32 -0.24 0.12 -0.81 0.41 0.00 0.00 173.24 173.05 1ygw n PRO 73 N 3.18 0.00 0.00 12.44 -0.04 -1.26 -5.10 135.00 144.22 1ygw n PRO 73 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ygw n PRO 73 Cb 0.32 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 1.77 0.17 0.21 0.55 0.00 -1.26 -4.99 105.19 101.64 1ygw n GLY 74 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 75 N 0.00 0.42 -2.36 4.61 0.00 -1.95 -3.40 119.26 116.58 1ygw h ALA 75 Ca 0.00 0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.55 1ygw h ALA 75 Cb 0.00 0.38 0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ygw h ALA 75 CO 0.00 -0.42 1.02 -0.25 0.00 0.00 0.00 179.25 179.59 1ygw n ASP 76 N -5.35 3.68 -3.78 0.00 8.00 -1.26 -2.60 116.55 115.25 1ygw n ASP 76 Ca 0.06 1.02 -0.13 0.00 0.71 0.00 0.00 54.79 56.45 1ygw n ASP 76 Cb 0.30 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 39.81 1ygw n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ygw s ARG 77 N 2.33 0.52 -0.09 -1.24 1.81 0.12 -2.56 118.95 119.85 1ygw s ARG 77 Ca 0.82 0.05 0.01 0.00 -1.72 0.00 0.00 55.73 54.89 1ygw s ARG 77 Cb -0.57 0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.14 1ygw s ARG 77 CO 0.39 -0.12 -0.11 0.54 -0.68 0.00 0.00 175.30 175.33 1ygw s VAL 78 N -0.71 3.30 -0.08 3.52 0.11 3.34 -1.04 120.40 128.85 1ygw s VAL 78 Ca -0.08 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1ygw s VAL 78 Cb -0.04 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1ygw s VAL 78 CO 0.02 0.56 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.53 1ygw s VAL 79 N -0.29 3.07 0.14 2.04 1.01 -1.25 0.32 120.40 125.44 1ygw s VAL 79 Ca 0.03 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1ygw s VAL 79 Cb -0.13 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ygw s VAL 79 CO 0.03 0.57 0.40 0.72 0.00 0.00 0.00 175.10 176.81 1ygw s PHE 80 N -0.34 -0.12 0.00 5.22 -0.71 0.49 0.93 117.98 123.46 1ygw s PHE 80 Ca 0.03 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 55.71 1ygw s PHE 80 Cb -0.13 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1ygw s PHE 80 CO 0.02 -0.72 0.00 0.27 -1.34 0.00 0.00 175.22 173.45 1ygw n ASN 81 N -0.23 0.00 -0.24 1.98 0.23 -1.15 0.89 115.26 116.75 1ygw n ASN 81 Ca -0.14 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.84 1ygw n ASN 81 Cb 0.63 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.28 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ygw n GLU 82 N 0.00 -0.25 0.00 -3.83 2.13 -1.26 -4.63 120.64 112.80 1ygw n GLU 82 Ca 0.00 1.16 0.00 0.00 0.66 0.00 0.00 57.16 58.98 1ygw n GLU 82 Cb 0.00 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1ygw n GLU 82 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ygw n ASN 83 N -4.30 0.00 -1.09 4.31 2.04 -1.26 -4.91 115.26 110.04 1ygw n ASN 83 Ca 0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 54.58 54.14 1ygw n ASN 83 Cb 0.15 0.10 0.09 0.00 -2.53 0.00 0.00 39.78 37.59 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ygw n ASN 84 N -1.24 2.73 -1.26 0.53 0.23 -1.26 -4.22 115.26 110.78 1ygw n ASN 84 Ca 0.00 -2.36 -0.05 0.00 -0.53 0.00 0.00 54.58 51.64 1ygw n ASN 84 Cb 0.00 -0.57 0.04 0.00 -2.08 0.00 0.00 39.78 37.16 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ygw n GLN 85 N 0.12 1.26 -0.58 -3.83 -0.00 -1.26 -4.94 117.38 108.15 1ygw n GLN 85 Ca 0.12 -0.62 -0.25 0.00 -0.00 0.00 0.00 57.00 56.25 1ygw n GLN 85 Cb 0.66 -1.24 -0.04 0.00 -0.00 0.00 0.00 30.24 29.61 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ygw n LEU 86 N 0.17 0.38 -0.01 2.61 7.94 -1.25 -3.63 117.00 123.20 1ygw n LEU 86 Ca 0.12 0.36 -0.11 0.00 -1.11 0.00 0.00 56.01 55.27 1ygw n LEU 86 Cb 0.74 -0.35 0.03 0.00 0.53 0.00 0.00 43.42 44.37 1ygw n LEU 86 CO 0.13 -0.31 0.46 0.00 -1.11 0.00 0.00 177.39 176.55 1ygw h ALA 87 N 2.80 0.64 0.00 1.96 0.00 4.39 -3.43 119.26 125.62 1ygw h ALA 87 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ygw h ALA 87 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ygw h ALA 87 CO 0.41 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.76 1ygw n GLY 88 N 0.30 -0.64 2.63 0.00 0.00 -1.18 -4.20 105.19 102.09 1ygw n GLY 88 Ca -0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.13 0.63 1.61 1.01 -1.26 -3.89 120.40 114.37 1ygw s VAL 89 Ca 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 1ygw s VAL 89 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1ygw s VAL 89 CO 0.00 -0.76 0.95 0.27 0.00 0.00 0.00 175.10 175.56 1ygw s ILE 90 N 1.30 3.48 -0.01 2.22 -4.36 -0.21 0.56 121.20 124.18 1ygw s ILE 90 Ca 0.17 0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.35 1ygw s ILE 90 Cb -0.19 -3.41 0.08 0.00 1.25 0.00 0.00 42.46 40.19 1ygw s ILE 90 CO -0.02 -0.45 0.73 0.28 0.24 0.00 0.00 174.94 175.71 1ygw s THR 91 N -3.10 0.00 -1.52 8.37 -1.32 0.15 -0.70 115.64 117.52 1ygw s THR 91 Ca 0.55 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.06 1ygw s THR 91 Cb -0.11 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.00 1ygw s THR 91 CO 0.46 0.00 0.92 1.41 -2.21 0.00 0.00 174.62 175.21 1ygw n HIS 92 N 0.49 0.23 -1.38 9.09 8.25 -1.07 -2.56 115.22 128.27 1ygw n HIS 92 Ca -0.16 -0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.09 1ygw n HIS 92 Cb 0.59 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.05 0.00 -2.84 1.59 -1.04 -1.26 -2.90 114.28 107.78 1ygw n THR 93 Ca 0.04 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.05 61.52 1ygw n THR 93 Cb 0.23 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.78 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 5.64 -0.32 0.38 3.41 0.00 -1.26 -4.67 105.19 108.38 1ygw n GLY 94 Ca 0.37 0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.57 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw h ALA 95 N 1.23 2.01 0.00 4.61 0.00 -1.76 -3.43 119.26 121.92 1ygw h ALA 95 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ygw h ALA 95 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ygw h ALA 95 CO 0.33 -0.31 0.00 0.45 0.00 0.00 0.00 179.25 179.72 1ygw n SER 96 N -4.58 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 105.73 1ygw n SER 96 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ygw n SER 96 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.55 0.01 0.46 0.00 -1.26 -4.41 105.19 100.54 1ygw n GLY 97 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.72 -4.74 1.61 4.05 -1.26 -4.93 115.26 110.71 1ygw n ASN 98 Ca 0.00 -0.56 -0.38 0.00 0.45 0.00 0.00 54.58 54.09 1ygw n ASN 98 Cb 0.00 0.53 0.05 0.00 1.23 0.00 0.00 39.78 41.60 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 -2.98 4.96 0.39 1.20 6.03 -1.26 -5.01 114.94 118.27 1ygw s ASN 99 Ca 0.10 2.70 0.08 0.00 -1.03 0.00 0.00 52.86 54.71 1ygw s ASN 99 Cb 0.17 -2.63 -0.02 0.00 -3.03 0.00 0.00 41.25 35.75 1ygw s ASN 99 CO 0.76 -1.77 0.40 -0.36 -2.03 0.00 0.00 177.10 174.10 1ygw s PHE 100 N -1.35 2.80 -0.28 1.54 0.08 -1.26 -4.47 117.98 115.04 1ygw s PHE 100 Ca 0.77 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 57.19 1ygw s PHE 100 Cb -0.39 -2.11 0.10 0.00 -0.57 0.00 0.00 43.02 40.05 1ygw s PHE 100 CO 0.44 -0.10 0.83 0.14 -0.10 0.00 0.00 175.22 176.43 1ygw s VAL 101 N -2.39 0.00 0.12 -0.44 -7.23 -1.06 -4.88 120.40 104.52 1ygw s VAL 101 Ca 0.47 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.32 1ygw s VAL 101 Cb -0.06 -1.00 -0.12 0.00 0.56 0.00 0.00 36.38 35.77 1ygw s VAL 101 CO 0.29 0.00 1.77 -0.62 -0.31 0.00 0.00 175.10 176.23 1ygw n GLU 102 N 3.05 2.56 0.00 4.82 1.02 -1.25 0.32 120.64 131.15 1ygw n GLU 102 Ca -0.15 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1ygw n GLU 102 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31