#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 -0.22 0.00 -3.64 0.00 9.92 -1.26 -3.45 116.55 117.91 1ygw n ASP 3 Ca 0.32 0.93 -0.24 0.00 -0.53 0.00 0.00 54.79 55.27 1ygw n ASP 3 Cb 0.38 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 40.22 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 -4.72 0.21 -0.29 1.24 2.02 -1.26 -4.75 117.35 109.80 1ygw s TYR 4 Ca -0.05 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1ygw s TYR 4 Cb 0.25 -0.65 0.08 0.00 -0.40 0.00 0.00 41.96 41.24 1ygw s TYR 4 CO 0.82 -0.42 -0.04 0.99 -1.57 0.00 0.00 175.55 175.34 1ygw s THR 5 N 2.13 2.16 -1.52 -0.71 2.01 -0.87 -0.31 115.64 118.53 1ygw s THR 5 Ca 0.03 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.01 1ygw s THR 5 Cb -0.15 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1ygw s THR 5 CO -0.07 -0.29 2.71 0.00 -0.69 0.00 0.00 174.62 176.29 1ygw n GLY 7 N 3.74 1.76 2.69 0.00 0.00 -1.26 -4.21 105.19 107.90 1ygw n GLY 7 Ca 0.70 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 2.69 -0.54 -1.26 1.61 3.41 -1.26 -5.12 113.62 113.16 1ygw n SER 8 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1ygw n SER 8 Cb 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.46 1.35 -2.69 4.04 3.02 -1.26 -5.12 115.26 114.15 1ygw n ASN 9 Ca 0.01 -0.75 -0.04 0.00 -0.03 0.00 0.00 54.58 53.77 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 2.12 1.27 -0.48 0.00 4.01 0.58 -4.87 117.16 119.78 1ygw n TYR 11 Ca 0.08 -1.88 -0.15 0.00 -0.16 0.00 0.00 57.90 55.79 1ygw n TYR 11 Cb 0.66 -1.46 0.01 0.00 -0.31 0.00 0.00 39.34 38.23 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 1.32 -1.56 0.09 7.72 3.41 -1.26 -2.75 113.62 120.59 1ygw n SER 12 Ca 0.48 0.24 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 1ygw n SER 12 Cb 0.62 -0.33 0.17 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.04 0.00 0.11 4.04 3.41 -1.26 0.64 113.62 121.60 1ygw n SER 13 Ca 0.03 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.23 1ygw n SER 13 Cb 0.19 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 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 1.27 4.04 0.87 -1.97 -2.78 113.55 114.98 1ygw h SER 14 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1ygw h SER 14 Cb 2.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.23 1ygw h SER 14 CO -0.00 0.53 -0.58 0.44 -0.53 0.00 0.00 176.83 176.68 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.94 -3.25 116.42 126.53 1ygw h ASP 15 Ca -0.04 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 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 0.02 0.00 0.52 -3.12 0.00 0.00 179.24 176.72 1ygw n VAL 16 N -2.64 0.00 -0.31 -1.35 0.31 -0.44 -3.30 118.33 110.61 1ygw n VAL 16 Ca 0.02 0.47 0.15 0.00 -0.01 0.00 0.00 64.34 64.97 1ygw n VAL 16 Cb 0.51 -1.40 0.29 0.00 -0.91 0.00 0.00 33.84 32.33 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 -1.92 -0.06 -0.01 4.52 2.88 -1.05 0.11 113.62 118.08 1ygw n SER 17 Ca 0.00 1.51 -0.10 0.00 -1.33 0.00 0.00 58.87 58.95 1ygw n SER 17 Cb 0.00 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.61 2.46 2.02 -1.70 1.21 112.91 116.55 1ygw h THR 18 Ca 0.56 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.75 1ygw h THR 18 Cb 1.21 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1ygw h THR 18 CO -0.83 0.00 0.40 0.00 0.37 0.00 0.00 175.52 175.47 1ygw h ALA 19 N 0.42 0.77 0.48 6.16 0.00 0.75 -2.86 119.26 124.99 1ygw h ALA 19 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ygw h ALA 19 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ygw h ALA 19 CO -0.38 0.20 -0.31 1.96 0.00 0.00 0.00 179.25 180.71 1ygw h GLN 20 N 0.82 -0.74 -1.40 0.00 4.20 0.51 -1.24 115.11 117.26 1ygw h GLN 20 Ca 0.23 0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.39 1ygw h GLN 20 Cb -0.08 0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1ygw h GLN 20 CO -0.05 -0.49 1.00 0.00 -0.67 0.00 0.00 178.83 178.62 1ygw n ALA 21 N -2.53 1.34 -0.09 3.87 0.00 0.40 0.31 120.51 123.82 1ygw n ALA 21 Ca -0.11 0.48 -0.20 0.00 0.00 0.00 0.00 53.44 53.61 1ygw n ALA 21 Cb 0.34 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 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 0.74 0.20 -0.41 0.00 0.00 -1.27 -2.44 119.26 116.08 1ygw h ALA 22 Ca 0.68 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ygw h ALA 22 Cb 2.68 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 21.00 1ygw h ALA 22 CO -0.03 0.56 0.17 0.78 0.00 0.00 0.00 179.25 180.73 1ygw h GLY 23 N -0.88 0.65 0.40 0.00 0.00 0.60 -2.09 103.07 101.75 1ygw h GLY 23 Ca -0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1ygw h GLY 23 CO -0.14 0.33 -0.19 -1.82 0.00 0.00 0.00 176.54 174.72 1ygw h TYR 24 N 0.52 -0.49 -0.83 5.60 3.20 0.27 -0.80 116.97 124.43 1ygw h TYR 24 Ca 0.14 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1ygw h TYR 24 Cb 0.17 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 1ygw h TYR 24 CO -0.00 -0.31 -0.49 1.17 -1.64 0.00 0.00 178.16 176.89 1ygw n LYS 25 N -4.64 -0.37 -0.14 1.82 3.00 -0.92 0.30 118.16 117.21 1ygw n LYS 25 Ca -0.07 1.32 0.05 0.00 -0.00 0.00 0.00 58.31 59.62 1ygw n LYS 25 Cb 0.21 -1.95 0.35 0.00 0.00 0.00 0.00 35.03 33.65 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 0.65 0.04 3.14 5.85 -1.48 -0.72 115.31 122.80 1ygw h LEU 26 Ca 0.13 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ygw h LEU 26 Cb 0.34 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ygw h LEU 26 CO -0.78 0.44 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.00 1ygw h HIS 27 N 0.75 -0.06 -0.21 1.25 2.76 0.53 0.45 115.15 120.62 1ygw h HIS 27 Ca 0.27 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 1ygw h HIS 27 Cb 0.13 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1ygw h HIS 27 CO -0.00 0.25 0.20 0.93 -1.30 0.00 0.00 177.93 178.00 1ygw h GLU 28 N -0.36 0.00 0.00 5.26 5.08 0.52 0.63 114.58 125.71 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 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ygw h GLU 28 CO 0.01 0.00 -0.70 -0.44 -1.00 0.00 0.00 179.01 176.88 1ygw h ASP 29 N 0.00 0.00 -0.17 1.42 5.19 -0.72 -3.48 116.42 118.66 1ygw h ASP 29 Ca 0.10 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1ygw h ASP 29 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1ygw h ASP 29 CO -0.00 0.07 -0.05 0.61 -3.12 0.00 0.00 179.24 176.75 1ygw n GLY 30 N 1.28 0.53 4.01 2.75 0.00 0.22 -5.04 105.19 108.95 1ygw n GLY 30 Ca 0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.55 2.53 0.42 1.61 0.41 0.13 -4.99 118.70 116.26 1ygw s GLU 31 Ca 0.00 -1.33 0.03 0.00 -0.41 0.00 0.00 54.97 53.26 1ygw s GLU 31 Cb 0.00 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1ygw s GLU 31 CO 0.00 -0.61 0.09 0.95 -0.49 0.00 0.00 175.26 175.20 1ygw s THR 32 N -2.56 0.85 -0.07 3.63 -4.23 -1.26 -4.36 115.64 107.64 1ygw s THR 32 Ca 0.58 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1ygw s THR 32 Cb -0.08 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1ygw s THR 32 CO 0.36 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 175.02 1ygw s VAL 33 N -3.13 1.06 0.00 2.29 -7.23 0.48 -4.96 120.40 108.91 1ygw s VAL 33 Ca 0.22 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1ygw s VAL 33 Cb 0.03 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1ygw s VAL 33 CO 0.12 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 1ygw n GLY 34 N 4.02 -0.33 0.05 2.32 0.00 1.77 -3.62 105.19 109.40 1ygw n GLY 34 Ca -0.21 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 44.82 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 1.02 0.58 -2.74 1.61 7.64 -1.26 -4.92 113.62 115.55 1ygw n SER 35 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1ygw n SER 35 Cb 0.00 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -2.17 -0.11 -2.45 6.43 4.13 -1.25 -4.99 115.26 114.84 1ygw n ASN 36 Ca 0.01 -0.35 -0.21 0.00 1.68 0.00 0.00 54.58 55.71 1ygw n ASN 36 Cb 0.48 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.20 3.91 -4.88 6.41 3.41 -1.26 -4.55 113.62 115.46 1ygw n SER 37 Ca 0.00 -3.41 -0.35 0.00 -0.26 0.00 0.00 58.87 54.85 1ygw n SER 37 Cb 0.00 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 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 -3.49 3.54 0.00 7.33 1.51 -1.26 -3.90 117.35 121.08 1ygw s TYR 38 Ca 0.43 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.91 1ygw s TYR 38 Cb 0.41 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1ygw s TYR 38 CO -0.09 0.67 0.00 -0.35 -1.11 0.00 0.00 175.55 174.68 1ygw n PRO 39 N 1.41 -0.09 0.00 -1.71 -0.04 -1.26 -0.39 135.00 132.92 1ygw n PRO 39 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ygw n PRO 39 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.71 0.00 -0.77 0.54 1.44 -1.13 -4.96 115.22 108.63 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 0.13 0.00 0.12 0.00 0.00 29.99 30.24 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 -0.17 -0.52 -0.03 -1.40 3.00 -1.26 0.22 118.16 118.01 1ygw n LYS 41 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1ygw n LYS 41 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.19 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 -3.75 0.00 0.00 5.64 4.19 -0.71 -4.33 117.16 118.20 1ygw n TYR 42 Ca 0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1ygw n TYR 42 Cb 0.55 0.10 0.00 0.00 0.49 0.00 0.00 39.34 40.48 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 -4.18 2.98 5.03 -1.26 -4.67 115.26 113.17 1ygw n ASN 43 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1ygw n ASN 43 Cb 0.50 0.00 0.12 0.00 -1.02 0.00 0.00 39.78 39.39 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 -2.63 0.00 6.41 6.94 -1.26 -4.91 115.26 119.81 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 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 36.63 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 -4.08 -0.32 0.32 -2.53 4.01 -1.26 -4.92 117.16 108.38 1ygw n TYR 45 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1ygw n TYR 45 Cb 0.67 0.06 0.23 0.00 -0.31 0.00 0.00 39.34 39.99 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 4.39 -1.96 -3.41 114.58 112.89 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 -1.43 0.66 3.72 -3.84 0.00 -1.26 -5.13 105.19 97.92 1ygw n GLY 47 Ca -0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.32 3.38 -1.11 1.61 0.08 -1.26 -5.01 117.98 115.36 1ygw s PHE 48 Ca 0.00 0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.31 1ygw s PHE 48 Cb 0.00 -2.09 0.26 0.00 -0.57 0.00 0.00 43.02 40.62 1ygw s PHE 48 CO 0.00 0.32 1.98 -0.25 -0.10 0.00 0.00 175.22 177.17 1ygw n ASP 49 N 3.26 7.55 -4.57 1.36 9.92 -1.26 -4.91 116.55 127.90 1ygw n ASP 49 Ca -0.17 -3.54 -0.42 0.00 -0.53 0.00 0.00 54.79 50.13 1ygw n ASP 49 Cb 0.53 -1.22 -0.04 0.00 -0.64 0.00 0.00 41.12 39.75 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 0.45 1.80 0.20 1.24 3.72 -1.26 -4.76 117.46 118.85 1ygw n PHE 50 Ca 0.51 -0.03 0.01 0.00 -0.05 0.00 0.00 57.45 57.89 1ygw n PHE 50 Cb 0.26 -2.69 0.06 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 12.47 0.00 -4.67 4.37 3.41 -1.26 -4.55 113.62 123.39 1ygw n SER 51 Ca 0.33 -0.13 -0.27 0.00 -0.26 0.00 0.00 58.87 58.54 1ygw n SER 51 Cb 0.44 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 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 3.78 0.74 -3.33 -7.23 -1.26 -5.11 120.40 105.98 1ygw s VAL 52 Ca 0.03 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1ygw s VAL 52 Cb 0.01 -2.90 0.09 0.00 0.56 0.00 0.00 36.38 34.15 1ygw s VAL 52 CO 0.02 -0.10 1.04 -0.44 -0.31 0.00 0.00 175.10 175.31 1ygw s SER 53 N -2.92 4.49 0.58 4.85 0.01 -1.26 -5.05 113.70 114.39 1ygw s SER 53 Ca 0.28 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 1ygw s SER 53 Cb -0.09 -0.73 0.04 0.00 0.21 0.00 0.00 66.02 65.44 1ygw s SER 53 CO 0.19 -1.79 0.82 -0.94 0.41 0.00 0.00 173.24 171.92 1ygw s SER 54 N -4.61 5.21 0.62 2.44 1.04 -1.26 -4.46 113.70 112.67 1ygw s SER 54 Ca 0.63 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 1ygw s SER 54 Cb -0.08 -0.93 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 1ygw s SER 54 CO 0.45 -1.21 1.05 -2.16 0.98 0.00 0.00 173.24 172.35 1ygw s PRO 55 N -4.84 3.24 -0.13 4.02 0.04 -1.26 -4.84 135.00 131.21 1ygw s PRO 55 Ca 0.58 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1ygw s PRO 55 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1ygw s PRO 55 CO 0.40 -0.87 0.28 0.71 0.04 0.00 0.00 177.00 177.56 1ygw s TYR 56 N -2.67 3.52 -0.23 0.56 2.02 -1.25 -3.77 117.35 115.54 1ygw s TYR 56 Ca 0.61 0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 57.92 1ygw s TYR 56 Cb -0.15 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 1ygw s TYR 56 CO 0.43 0.37 -0.08 0.71 -1.57 0.00 0.00 175.55 175.41 1ygw s TYR 57 N 0.02 2.97 0.26 2.71 2.02 4.34 -1.74 117.35 127.93 1ygw s TYR 57 Ca 0.17 -1.30 -0.26 0.00 -0.37 0.00 0.00 57.07 55.31 1ygw s TYR 57 Cb -0.13 -2.06 -0.09 0.00 -0.40 0.00 0.00 41.96 39.28 1ygw s TYR 57 CO 0.05 -0.67 0.87 -1.83 -1.57 0.00 0.00 175.55 172.41 1ygw s GLU 58 N 1.39 4.58 -0.16 -0.62 4.04 0.13 0.17 118.70 128.23 1ygw s GLU 58 Ca 0.03 1.25 -0.28 0.00 0.04 0.00 0.00 54.97 56.01 1ygw s GLU 58 Cb -0.15 -3.00 0.09 0.00 0.02 0.00 0.00 34.13 31.09 1ygw s GLU 58 CO -0.05 0.41 0.80 -0.46 -1.84 0.00 0.00 175.26 174.11 1ygw s TRP 59 N -1.42 -0.61 0.30 4.83 -0.11 1.17 -2.86 118.94 120.24 1ygw s TRP 59 Ca 0.44 1.26 -0.28 0.00 1.22 0.00 0.00 56.10 58.74 1ygw s TRP 59 Cb -0.21 0.37 -0.09 0.00 -1.50 0.00 0.00 33.47 32.04 1ygw s TRP 59 CO 0.25 -0.44 1.07 -1.25 -4.62 0.00 0.00 176.95 171.96 1ygw s PRO 60 N -0.54 4.57 -0.28 5.86 0.04 -1.26 0.51 135.00 143.89 1ygw s PRO 60 Ca -0.04 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 1ygw s PRO 60 Cb -0.02 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ygw s PRO 60 CO 0.04 0.17 0.03 -1.50 0.04 0.00 0.00 177.00 175.78 1ygw s ILE 61 N -1.27 3.61 -0.20 0.56 2.07 -1.04 -4.69 121.20 120.24 1ygw s ILE 61 Ca 0.47 -0.77 -0.23 0.00 -1.41 0.00 0.00 60.65 58.71 1ygw s ILE 61 Cb -0.29 -2.84 -0.02 0.00 0.13 0.00 0.00 42.46 39.44 1ygw s ILE 61 CO 0.37 0.14 0.73 -0.76 -1.91 0.00 0.00 174.94 173.51 1ygw s LEU 62 N 1.45 4.13 0.23 8.50 1.43 -1.26 -4.71 118.68 128.44 1ygw s LEU 62 Ca 0.02 0.96 0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1ygw s LEU 62 Cb -0.17 -3.04 0.78 0.00 0.03 0.00 0.00 46.19 43.79 1ygw s LEU 62 CO 0.00 -0.36 1.42 -1.54 0.23 0.00 0.00 176.35 176.10 1ygw n SER 63 N 5.35 0.37 0.03 2.29 3.41 -1.26 0.11 113.62 123.92 1ygw n SER 63 Ca 0.02 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1ygw n SER 63 Cb 0.49 -0.69 0.24 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.00 0.56 -1.04 4.04 7.64 -1.26 -4.95 113.62 116.61 1ygw n SER 64 Ca -0.01 0.01 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1ygw n SER 64 Cb 0.07 0.13 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 1.41 0.65 1.50 0.23 0.00 0.30 -5.06 105.19 104.22 1ygw n GLY 65 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.69 1.87 -4.28 1.61 9.92 -1.26 -4.89 116.55 120.22 1ygw n ASP 66 Ca -0.00 -1.78 -0.39 0.00 -0.53 0.00 0.00 54.79 52.09 1ygw n ASP 66 Cb 0.51 0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.90 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 -1.21 3.97 1.03 2.53 1.01 -1.26 -4.45 120.40 122.02 1ygw s VAL 67 Ca 0.10 -1.22 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1ygw s VAL 67 Cb -0.01 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1ygw s VAL 67 CO 0.06 -0.30 -0.84 0.00 0.00 0.00 0.00 175.10 174.02 1ygw n TYR 68 N 4.85 -1.97 -0.11 5.22 9.36 -1.26 -4.95 117.16 128.30 1ygw n TYR 68 Ca -0.11 0.37 -0.22 0.00 3.32 0.00 0.00 57.90 61.27 1ygw n TYR 68 Cb 0.44 -1.47 -0.12 0.00 -0.63 0.00 0.00 39.34 37.56 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 1.64 1.99 0.00 2.98 3.41 -1.26 -4.89 113.62 117.49 1ygw n SER 69 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1ygw n SER 69 Cb 0.67 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 4.18 0.19 5.00 0.00 -1.24 0.48 105.19 115.72 1ygw n GLY 70 Ca -0.46 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.60 0.94 3.19 -0.02 0.00 -1.26 -4.52 105.19 101.92 1ygw n GLY 71 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 5.83 0.33 1.61 1.04 -1.26 -4.88 113.70 112.37 1ygw s SER 72 Ca 0.00 -2.72 0.17 0.00 0.48 0.00 0.00 55.95 53.88 1ygw s SER 72 Cb 0.00 -2.00 0.43 0.00 0.10 0.00 0.00 66.02 64.55 1ygw s SER 72 CO 0.00 -0.47 1.61 1.55 0.98 0.00 0.00 173.24 176.91 1ygw h PRO 73 N 7.42 0.00 0.00 4.02 0.13 -1.94 -3.49 132.00 138.14 1ygw h PRO 73 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ygw h PRO 73 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ygw h PRO 73 CO 0.74 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 179.39 1ygw n GLY 74 N 0.60 0.49 0.98 1.56 0.00 -1.26 -4.90 105.19 102.64 1ygw n GLY 74 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.82 2.55 -1.90 4.61 0.00 -1.26 -4.81 120.51 118.87 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 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 -4.19 6.57 -0.02 0.00 1.01 -1.26 -1.34 116.67 117.44 1ygw s ASP 76 Ca 0.00 2.59 -0.05 0.00 0.71 0.00 0.00 52.55 55.79 1ygw s ASP 76 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1ygw s ASP 76 CO 0.00 -0.88 0.11 -0.13 0.21 0.00 0.00 175.17 174.49 1ygw s ARG 77 N 1.97 0.31 0.07 8.23 1.81 0.37 -2.51 118.95 129.20 1ygw s ARG 77 Ca 0.73 -0.16 0.06 0.00 -1.72 0.00 0.00 55.73 54.64 1ygw s ARG 77 Cb -0.43 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 1ygw s ARG 77 CO 0.32 -0.06 -0.13 0.14 -0.68 0.00 0.00 175.30 174.89 1ygw s VAL 78 N -0.74 3.20 -0.40 3.52 -7.23 1.91 -0.31 120.40 120.35 1ygw s VAL 78 Ca -0.08 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1ygw s VAL 78 Cb -0.05 -2.43 0.13 0.00 0.56 0.00 0.00 36.38 34.59 1ygw s VAL 78 CO 0.01 0.24 0.20 -0.69 -0.31 0.00 0.00 175.10 174.55 1ygw s VAL 79 N -1.08 1.08 0.00 1.32 1.01 0.14 0.37 120.40 123.24 1ygw s VAL 79 Ca 0.18 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1ygw s VAL 79 Cb -0.11 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1ygw s VAL 79 CO 0.10 -0.87 0.00 2.22 0.00 0.00 0.00 175.10 176.55 1ygw n PHE 80 N 3.90 0.00 -3.19 5.22 -1.74 0.45 0.18 117.46 122.28 1ygw n PHE 80 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 1ygw n PHE 80 Cb 0.36 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.36 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 0.40 -0.99 5.98 3.02 -0.47 0.80 115.26 124.01 1ygw n ASN 81 Ca 0.00 -0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.43 1ygw n ASN 81 Cb 0.00 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.38 -0.04 3.52 2.13 -1.25 -3.64 120.64 123.75 1ygw n GLU 82 Ca 0.00 -1.79 0.03 0.00 0.66 0.00 0.00 57.16 56.06 1ygw n GLU 82 Cb 0.00 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.08 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 0.82 0.68 0.00 4.31 6.94 -1.26 -4.98 115.26 121.77 1ygw n ASN 83 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1ygw n ASN 83 Cb 0.49 1.54 0.00 0.00 -2.36 0.00 0.00 39.78 39.45 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 -2.33 0.00 -4.51 0.53 2.04 -1.24 -5.09 115.26 104.66 1ygw n ASN 84 Ca -0.12 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.66 1ygw n ASN 84 Cb 0.69 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.83 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 3.75 0.26 -3.83 -0.21 -1.26 -4.91 119.66 113.40 1ygw s GLN 85 Ca 0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.88 1ygw s GLN 85 Cb 0.00 -3.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.73 1ygw s GLN 85 CO 0.00 0.02 0.52 -1.17 -2.12 0.00 0.00 175.29 172.54 1ygw s LEU 86 N 1.05 4.11 0.00 2.90 0.20 -1.26 -1.37 118.68 124.31 1ygw s LEU 86 Ca 0.04 0.72 0.00 0.00 0.69 0.00 0.00 54.13 55.58 1ygw s LEU 86 Cb -0.14 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1ygw s LEU 86 CO 0.03 -0.14 0.00 0.00 -0.29 0.00 0.00 176.35 175.95 1ygw n ALA 87 N -0.65 0.00 -0.53 5.97 0.00 0.24 -4.67 120.51 120.87 1ygw n ALA 87 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1ygw n ALA 87 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.24 2.05 1.10 0.00 0.00 0.47 -4.45 105.19 103.12 1ygw n GLY 88 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 2.71 1.19 -0.50 1.61 0.31 -1.13 0.25 118.33 122.76 1ygw n VAL 89 Ca 0.22 -0.11 -0.31 0.00 -0.01 0.00 0.00 64.34 64.14 1ygw n VAL 89 Cb 0.48 -1.08 0.28 0.00 -0.91 0.00 0.00 33.84 32.62 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 -0.05 1.25 -0.04 2.52 -0.00 0.58 0.35 121.20 125.81 1ygw s ILE 90 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.36 1ygw s ILE 90 Cb 0.01 -2.15 0.09 0.00 -0.00 0.00 0.00 42.46 40.40 1ygw s ILE 90 CO 0.00 0.00 0.78 0.28 -0.00 0.00 0.00 174.94 176.00 1ygw s THR 91 N -2.41 0.00 -2.00 8.37 -1.32 0.16 -0.48 115.64 117.96 1ygw s THR 91 Ca 0.69 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.30 1ygw s THR 91 Cb -0.12 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.22 1ygw s THR 91 CO 0.57 0.00 1.31 1.41 -2.21 0.00 0.00 174.62 175.70 1ygw n HIS 92 N 0.52 0.00 -1.42 9.09 8.25 -0.45 -3.20 115.22 128.01 1ygw n HIS 92 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.14 1ygw n HIS 92 Cb 0.59 0.00 -0.17 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 -0.75 0.00 -2.93 1.59 -1.04 -1.26 -2.37 114.28 107.52 1ygw n THR 93 Ca 0.09 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.05 61.42 1ygw n THR 93 Cb 0.04 -0.31 -0.04 0.00 -1.82 0.00 0.00 70.33 68.21 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 5.51 -0.19 3.58 3.41 0.00 -1.26 -4.63 105.19 111.60 1ygw n GLY 94 Ca 0.53 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.17 1.91 -1.05 4.61 0.00 -1.00 -3.98 120.51 118.84 1ygw n ALA 95 Ca 0.06 -3.06 -0.05 0.00 0.00 0.00 0.00 53.44 50.39 1ygw n ALA 95 Cb 0.21 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.16 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 14.11 -1.38 0.00 0.00 2.88 -1.26 -1.27 113.62 126.70 1ygw n SER 96 Ca 0.45 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1ygw n SER 96 Cb 0.46 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 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 -0.06 0.98 0.88 0.46 0.00 -1.26 -4.61 105.19 101.58 1ygw n GLY 97 Ca -0.05 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 2.69 -4.60 1.61 4.05 -1.24 -4.60 115.26 113.18 1ygw n ASN 98 Ca 0.00 -1.87 -0.30 0.00 0.45 0.00 0.00 54.58 52.86 1ygw n ASN 98 Cb 0.00 -0.08 0.20 0.00 1.23 0.00 0.00 39.78 41.13 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 -1.82 2.12 0.21 1.20 2.20 -0.39 -4.94 114.94 113.52 1ygw s ASN 99 Ca 0.33 1.81 0.09 0.00 -0.94 0.00 0.00 52.86 54.14 1ygw s ASN 99 Cb 0.21 -2.41 -0.04 0.00 -2.00 0.00 0.00 41.25 37.01 1ygw s ASN 99 CO 0.31 -3.54 -0.03 -0.36 -2.94 0.00 0.00 177.10 170.54 1ygw s PHE 100 N -2.60 2.74 -0.28 1.54 0.08 -1.26 -4.32 117.98 113.88 1ygw s PHE 100 Ca 0.67 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 57.39 1ygw s PHE 100 Cb -0.23 -1.29 0.09 0.00 -0.57 0.00 0.00 43.02 41.03 1ygw s PHE 100 CO 0.61 0.55 0.66 0.14 -0.10 0.00 0.00 175.22 177.08 1ygw s VAL 101 N -1.94 -0.32 -0.12 -0.44 -7.23 -1.19 -4.86 120.40 104.31 1ygw s VAL 101 Ca 0.28 0.01 -0.39 0.00 -1.81 0.00 0.00 61.98 60.06 1ygw s VAL 101 Cb -0.08 -0.98 -0.17 0.00 0.56 0.00 0.00 36.38 35.71 1ygw s VAL 101 CO 0.18 0.00 1.48 -1.84 -0.31 0.00 0.00 175.10 174.62 1ygw n GLU 102 N 4.68 0.90 0.02 4.82 0.28 -1.26 -0.67 120.64 129.42 1ygw n GLU 102 Ca -0.17 0.33 0.01 0.00 -0.16 0.00 0.00 57.16 57.17 1ygw n GLU 102 Cb 0.56 -1.96 0.06 0.00 1.43 0.00 0.00 31.44 31.54 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97