#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 0.11 0.00 -3.65 0.00 8.00 -1.26 -3.47 116.55 116.28 1ygw n ASP 3 Ca 0.36 0.94 -0.25 0.00 0.71 0.00 0.00 54.79 56.56 1ygw n ASP 3 Cb 0.34 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 1ygw n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ygw s TYR 4 N -4.76 0.31 -0.26 1.24 2.02 -1.26 -4.92 117.35 109.71 1ygw s TYR 4 Ca -0.05 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1ygw s TYR 4 Cb 0.25 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 41.18 1ygw s TYR 4 CO 0.83 -0.44 -0.09 0.99 -1.57 0.00 0.00 175.55 175.27 1ygw s THR 5 N 2.10 2.04 -1.51 -0.71 2.01 -1.23 -0.41 115.64 117.94 1ygw s THR 5 Ca 0.02 -1.60 -0.10 0.00 0.31 0.00 0.00 61.69 60.32 1ygw s THR 5 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 1ygw s THR 5 CO -0.07 -0.08 2.61 0.00 -0.69 0.00 0.00 174.62 176.38 1ygw n GLY 7 N 3.29 1.93 2.69 0.00 0.00 -1.24 -4.28 105.19 107.58 1ygw n GLY 7 Ca 0.67 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.83 -1.01 1.61 3.41 -1.26 -5.14 113.62 111.54 1ygw n SER 8 Ca 0.00 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1ygw n SER 8 Cb 0.00 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.75 1.72 -2.69 4.04 3.02 -1.26 -5.11 115.26 114.23 1ygw n ASN 9 Ca -0.06 -0.54 -0.04 0.00 -0.03 0.00 0.00 54.58 53.92 1ygw n ASN 9 Cb 0.85 0.00 0.03 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 2.51 2.00 -0.49 0.00 4.01 0.45 -4.88 117.16 120.77 1ygw n TYR 11 Ca 0.12 -2.11 -0.16 0.00 -0.16 0.00 0.00 57.90 55.59 1ygw n TYR 11 Cb 0.64 -1.37 0.01 0.00 -0.31 0.00 0.00 39.34 38.30 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 0.62 -1.69 -0.06 7.72 2.88 -1.26 -2.92 113.62 118.90 1ygw n SER 12 Ca 0.51 0.23 0.19 0.00 -1.33 0.00 0.00 58.87 58.47 1ygw n SER 12 Cb 0.45 -0.34 0.30 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.10 0.00 0.11 -3.46 3.41 -1.26 0.62 113.62 114.15 1ygw n SER 13 Ca 0.02 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1ygw n SER 13 Cb 0.20 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.51 4.04 0.87 -1.98 -2.98 113.55 115.01 1ygw h SER 14 Ca 0.34 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1ygw h SER 14 Cb 2.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.49 1ygw h SER 14 CO -0.00 0.62 -0.50 0.44 -0.53 0.00 0.00 176.83 176.85 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.82 -3.15 116.42 126.51 1ygw h ASP 15 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1ygw h ASP 15 Cb 1.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1ygw h ASP 15 CO 0.08 0.34 0.00 0.52 -3.12 0.00 0.00 179.24 177.06 1ygw n VAL 16 N -3.12 0.00 -0.37 -1.35 0.31 -0.58 -2.39 118.33 110.84 1ygw n VAL 16 Ca 0.01 0.85 0.01 0.00 -0.01 0.00 0.00 64.34 65.19 1ygw n VAL 16 Cb 0.68 -1.81 0.06 0.00 -0.91 0.00 0.00 33.84 31.86 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 -1.93 -0.57 -0.19 4.52 2.88 -1.13 0.11 113.62 117.31 1ygw n SER 17 Ca 0.00 1.70 -0.01 0.00 -1.33 0.00 0.00 58.87 59.23 1ygw n SER 17 Cb 0.00 -0.42 0.07 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.45 -0.57 2.46 2.02 -1.66 0.64 112.91 116.25 1ygw h THR 18 Ca 0.37 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1ygw h THR 18 Cb 0.62 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1ygw h THR 18 CO -0.98 0.01 0.36 0.00 0.37 0.00 0.00 175.52 175.28 1ygw h ALA 19 N 1.57 0.72 0.57 6.16 0.00 0.11 -2.93 119.26 125.46 1ygw h ALA 19 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ygw h ALA 19 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ygw h ALA 19 CO -0.56 0.19 -0.33 1.96 0.00 0.00 0.00 179.25 180.51 1ygw h GLN 20 N 0.77 -0.81 -0.67 0.00 4.20 0.21 -2.02 115.11 116.79 1ygw h GLN 20 Ca 0.21 0.06 0.28 0.00 0.06 0.00 0.00 58.65 59.25 1ygw h GLN 20 Cb -0.05 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 1ygw h GLN 20 CO -0.04 -0.54 0.36 0.00 -0.67 0.00 0.00 178.83 177.94 1ygw n ALA 21 N -2.52 0.69 0.08 3.87 0.00 0.19 0.23 120.51 123.05 1ygw n ALA 21 Ca -0.12 0.69 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 1ygw n ALA 21 Cb 0.36 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 1.35 -0.28 -0.89 0.00 0.00 -1.34 0.76 119.26 118.85 1ygw h ALA 22 Ca 0.57 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1ygw h ALA 22 Cb 1.52 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1ygw h ALA 22 CO -0.52 -0.33 0.53 0.78 0.00 0.00 0.00 179.25 179.70 1ygw h GLY 23 N -0.92 1.40 0.17 0.00 0.00 0.36 0.25 103.07 104.33 1ygw h GLY 23 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ygw h GLY 23 CO 0.05 0.14 -0.08 -1.82 0.00 0.00 0.00 176.54 174.83 1ygw h TYR 24 N 0.86 -0.21 -0.73 5.60 3.20 0.19 0.22 116.97 126.11 1ygw h TYR 24 Ca 0.43 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.40 1ygw h TYR 24 Cb 0.40 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.61 1ygw h TYR 24 CO -0.04 -0.13 -0.41 -0.22 -1.64 0.00 0.00 178.16 175.71 1ygw h LYS 25 N -0.40 -0.13 -0.44 1.82 1.63 -0.78 1.87 116.57 120.14 1ygw h LYS 25 Ca -0.02 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1ygw h LYS 25 Cb 0.18 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1ygw h LYS 25 CO 0.04 -0.09 0.26 1.25 -3.45 0.00 0.00 179.45 177.46 1ygw h LEU 26 N -0.14 0.51 -0.16 5.20 5.85 -0.60 0.01 115.31 125.99 1ygw h LEU 26 Ca 0.23 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ygw h LEU 26 Cb 0.56 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1ygw h LEU 26 CO -0.79 0.40 -0.01 -0.74 -0.34 0.00 0.00 178.44 176.96 1ygw h HIS 27 N 0.60 0.32 0.00 1.25 2.76 0.51 0.14 115.15 120.72 1ygw h HIS 27 Ca 0.16 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1ygw h HIS 27 Cb -0.02 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 1ygw h HIS 27 CO 0.00 0.53 -0.09 0.93 -1.30 0.00 0.00 177.93 178.00 1ygw h GLU 28 N 0.01 0.00 0.00 5.26 5.08 0.30 -0.36 114.58 124.88 1ygw h GLU 28 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1ygw h GLU 28 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ygw h GLU 28 CO 0.01 0.09 -0.83 -0.44 -1.00 0.00 0.00 179.01 176.84 1ygw h ASP 29 N 0.00 0.00 -0.26 1.42 5.19 -0.58 -3.48 116.42 118.71 1ygw h ASP 29 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1ygw h ASP 29 Cb 0.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1ygw h ASP 29 CO 0.01 0.38 -0.07 0.61 -3.12 0.00 0.00 179.24 177.05 1ygw n GLY 30 N 1.26 0.51 4.02 2.75 0.00 0.39 -5.04 105.19 109.09 1ygw n GLY 30 Ca -0.02 -0.87 -0.20 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 -2.88 2.28 0.37 1.61 0.41 -0.61 -5.03 118.70 114.86 1ygw s GLU 31 Ca 0.00 -1.39 0.03 0.00 -0.41 0.00 0.00 54.97 53.21 1ygw s GLU 31 Cb 0.00 -2.59 -0.04 0.00 -1.78 0.00 0.00 34.13 29.72 1ygw s GLU 31 CO 0.00 -0.87 0.11 0.95 -0.49 0.00 0.00 175.26 174.96 1ygw s THR 32 N -2.72 0.76 -0.02 3.63 -4.23 -1.26 -4.21 115.64 107.60 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 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.27 1ygw s THR 32 CO 0.39 0.00 -0.02 0.68 -0.54 0.00 0.00 174.62 175.13 1ygw s VAL 33 N -3.30 0.27 0.00 2.29 -7.23 -0.13 -4.95 120.40 107.34 1ygw s VAL 33 Ca 0.29 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1ygw s VAL 33 Cb 0.05 -0.30 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1ygw s VAL 33 CO 0.15 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 1ygw n GLY 34 N 3.69 -0.36 0.39 2.32 0.00 -1.26 -3.78 105.19 106.20 1ygw n GLY 34 Ca -0.22 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 0.76 1.65 -1.91 1.61 3.41 -1.26 -4.82 113.62 113.06 1ygw n SER 35 Ca 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1ygw n SER 35 Cb 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.30 0.00 -2.30 4.04 4.13 -1.25 -5.03 115.26 114.55 1ygw n ASN 36 Ca 0.10 -0.43 -0.21 0.00 1.68 0.00 0.00 54.58 55.72 1ygw n ASN 36 Cb 0.42 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.68 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 -1.30 4.18 -4.87 6.41 3.41 -1.26 -4.54 113.62 115.65 1ygw n SER 37 Ca 0.00 -3.44 -0.34 0.00 -0.26 0.00 0.00 58.87 54.83 1ygw n SER 37 Cb 0.00 -0.40 -0.05 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 3.57 0.33 7.33 1.51 -1.26 -3.97 117.35 121.28 1ygw s TYR 38 Ca 0.45 0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 57.22 1ygw s TYR 38 Cb 0.40 -2.14 0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1ygw s TYR 38 CO -0.03 0.51 0.37 -0.35 -1.11 0.00 0.00 175.55 174.93 1ygw n PRO 39 N 0.81 -1.01 0.00 -1.71 -0.04 -1.26 -0.96 135.00 130.84 1ygw n PRO 39 Ca -0.07 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1ygw n PRO 39 Cb 0.52 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1ygw n PRO 39 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygw n HIS 40 N -2.88 0.00 -0.93 0.54 1.44 -1.14 -4.95 115.22 107.30 1ygw n HIS 40 Ca 0.05 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.40 1ygw n HIS 40 Cb 0.18 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -0.16 -0.28 -0.17 -1.40 4.81 -1.26 -0.13 118.16 119.58 1ygw n LYS 41 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1ygw n LYS 41 Cb 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 -3.30 0.00 0.00 5.64 4.19 0.38 -4.15 117.16 119.92 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 0.64 0.10 0.00 0.00 0.49 0.00 0.00 39.34 40.57 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 -4.27 2.98 5.03 -1.26 -4.64 115.26 113.10 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 0.53 0.00 0.10 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 -3.30 0.00 6.41 6.94 -1.26 -4.87 115.26 119.18 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 -1.04 0.00 0.00 -2.36 0.00 0.00 39.78 36.38 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 -3.33 -0.33 0.27 -2.53 4.01 -1.26 -4.92 117.16 109.07 1ygw n TYR 45 Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 1ygw n TYR 45 Cb 0.55 0.07 0.31 0.00 -0.31 0.00 0.00 39.34 39.96 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 -1.92 -3.41 114.58 113.61 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 -1.44 0.69 3.81 -3.84 0.00 -1.26 -5.13 105.19 98.03 1ygw n GLY 47 Ca 0.02 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.38 3.54 -1.19 1.61 0.08 -1.26 -5.01 117.98 115.37 1ygw s PHE 48 Ca 0.00 0.55 -0.06 0.00 0.12 0.00 0.00 56.93 57.53 1ygw s PHE 48 Cb 0.00 -2.11 0.23 0.00 -0.57 0.00 0.00 43.02 40.57 1ygw s PHE 48 CO 0.00 0.52 1.77 -0.25 -0.10 0.00 0.00 175.22 177.17 1ygw n ASP 49 N 2.64 6.03 -4.58 1.36 9.92 -1.26 -4.93 116.55 125.73 1ygw n ASP 49 Ca -0.17 -3.27 -0.42 0.00 -0.53 0.00 0.00 54.79 50.40 1ygw n ASP 49 Cb 0.53 -1.37 -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 -1.30 2.33 -0.41 1.24 0.08 -1.26 -4.84 117.98 113.81 1ygw s PHE 50 Ca 0.38 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1ygw s PHE 50 Cb 0.09 -4.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.18 1ygw s PHE 50 CO 0.03 -1.95 0.65 -1.13 -0.10 0.00 0.00 175.22 172.71 1ygw n SER 51 N 9.33 1.78 -4.35 1.36 3.41 -1.26 -4.73 113.62 119.17 1ygw n SER 51 Ca 0.14 -1.64 -0.21 0.00 -0.26 0.00 0.00 58.87 56.90 1ygw n SER 51 Cb 0.49 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.31 1.85 0.25 -3.33 -7.23 -1.26 -5.10 120.40 105.27 1ygw s VAL 52 Ca 0.00 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 1ygw s VAL 52 Cb 0.00 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 1ygw s VAL 52 CO 0.00 -0.39 0.65 -0.55 -0.31 0.00 0.00 175.10 174.50 1ygw s SER 53 N -2.87 6.78 1.01 4.85 0.15 -1.26 -5.05 113.70 117.31 1ygw s SER 53 Ca 0.18 1.16 -0.14 0.00 0.70 0.00 0.00 55.95 57.85 1ygw s SER 53 Cb -0.05 -2.32 0.20 0.00 -1.71 0.00 0.00 66.02 62.14 1ygw s SER 53 CO 0.07 -0.08 1.14 -0.94 1.20 0.00 0.00 173.24 174.64 1ygw s SER 54 N -2.10 2.59 0.66 5.45 1.04 -1.26 -4.64 113.70 115.43 1ygw s SER 54 Ca 0.48 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.63 1ygw s SER 54 Cb -0.12 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 1ygw s SER 54 CO 0.19 -3.11 1.06 -2.16 0.98 0.00 0.00 173.24 170.19 1ygw s PRO 55 N -5.31 3.10 -0.18 4.02 0.04 -1.26 -4.86 135.00 130.55 1ygw s PRO 55 Ca 0.67 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1ygw s PRO 55 Cb -0.13 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1ygw s PRO 55 CO 0.55 -0.97 0.18 0.71 0.04 0.00 0.00 177.00 177.51 1ygw s TYR 56 N -2.84 3.43 -0.22 0.56 2.02 -1.24 -3.80 117.35 115.26 1ygw s TYR 56 Ca 0.60 0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 57.67 1ygw s TYR 56 Cb -0.14 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1ygw s TYR 56 CO 0.48 0.29 -0.02 0.71 -1.57 0.00 0.00 175.55 175.45 1ygw s TYR 57 N 0.34 2.99 -0.06 2.71 2.02 4.92 -0.47 117.35 129.81 1ygw s TYR 57 Ca 0.11 -0.74 -0.20 0.00 -0.37 0.00 0.00 57.07 55.86 1ygw s TYR 57 Cb -0.12 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 1ygw s TYR 57 CO 0.00 -0.45 0.58 -1.83 -1.57 0.00 0.00 175.55 172.29 1ygw s GLU 58 N 1.38 4.35 -0.01 -0.62 -1.05 0.82 0.22 118.70 123.79 1ygw s GLU 58 Ca 0.05 0.68 -0.12 0.00 -0.15 0.00 0.00 54.97 55.42 1ygw s GLU 58 Cb -0.14 -3.40 0.02 0.00 -0.44 0.00 0.00 34.13 30.16 1ygw s GLU 58 CO -0.01 0.22 0.25 -0.46 0.95 0.00 0.00 175.26 176.21 1ygw s TRP 59 N 0.33 -0.10 0.46 4.83 -0.11 0.43 -2.90 118.94 121.88 1ygw s TRP 59 Ca 0.31 0.11 -0.21 0.00 1.22 0.00 0.00 56.10 57.53 1ygw s TRP 59 Cb -0.17 0.05 -0.09 0.00 -1.50 0.00 0.00 33.47 31.76 1ygw s TRP 59 CO 0.15 -0.36 1.04 -1.25 -4.62 0.00 0.00 176.95 171.92 1ygw s PRO 60 N -1.40 3.91 -0.21 5.86 0.04 -1.26 1.02 135.00 142.95 1ygw s PRO 60 Ca -0.14 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1ygw s PRO 60 Cb -0.06 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 1ygw s PRO 60 CO 0.03 -0.35 -0.07 -1.50 0.04 0.00 0.00 177.00 175.15 1ygw s ILE 61 N -1.88 3.15 -0.10 0.56 2.07 -0.87 -4.46 121.20 119.67 1ygw s ILE 61 Ca 0.65 -0.57 -0.24 0.00 -1.41 0.00 0.00 60.65 59.08 1ygw s ILE 61 Cb -0.18 -2.42 -0.03 0.00 0.13 0.00 0.00 42.46 39.96 1ygw s ILE 61 CO 0.22 0.44 0.74 -0.76 -1.91 0.00 0.00 174.94 173.68 1ygw s LEU 62 N 1.42 4.27 0.00 8.50 1.43 -1.26 -4.71 118.68 128.32 1ygw s LEU 62 Ca 0.05 1.18 0.09 0.00 -1.03 0.00 0.00 54.13 54.41 1ygw s LEU 62 Cb -0.14 -3.13 0.51 0.00 0.03 0.00 0.00 46.19 43.47 1ygw s LEU 62 CO -0.05 -0.21 0.93 -1.54 0.23 0.00 0.00 176.35 175.72 1ygw n SER 63 N 4.25 0.00 -0.00 2.29 3.41 -1.26 -0.54 113.62 121.77 1ygw n SER 63 Ca 0.00 -0.49 0.06 0.00 -0.26 0.00 0.00 58.87 58.19 1ygw n SER 63 Cb 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.85 0.77 -0.84 4.04 7.64 -1.26 -5.00 113.62 118.12 1ygw n SER 64 Ca 0.06 -0.71 -0.02 0.00 1.01 0.00 0.00 58.87 59.21 1ygw n SER 64 Cb 0.03 1.07 0.01 0.00 -1.01 0.00 0.00 64.21 64.31 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 1.36 0.76 1.49 0.23 0.00 0.30 -5.07 105.19 104.26 1ygw n GLY 65 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.77 1.65 -4.64 1.61 9.92 -1.26 -4.92 116.55 119.69 1ygw n ASP 66 Ca -0.00 -1.94 -0.38 0.00 -0.53 0.00 0.00 54.79 51.93 1ygw n ASP 66 Cb 0.51 0.33 -0.09 0.00 -0.64 0.00 0.00 41.12 41.23 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 -2.04 5.23 0.96 2.53 1.01 -1.26 -4.26 120.40 122.56 1ygw s VAL 67 Ca 0.06 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1ygw s VAL 67 Cb 0.00 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 32.89 1ygw s VAL 67 CO 0.04 0.23 1.09 -0.47 0.00 0.00 0.00 175.10 175.99 1ygw s TYR 68 N 1.60 2.18 -0.45 5.22 5.04 -1.26 -5.04 117.35 124.63 1ygw s TYR 68 Ca 0.14 1.11 0.04 0.00 -2.44 0.00 0.00 57.07 55.92 1ygw s TYR 68 Cb -0.15 -3.22 0.24 0.00 0.35 0.00 0.00 41.96 39.18 1ygw s TYR 68 CO 0.08 -2.71 0.96 -1.13 -1.34 0.00 0.00 175.55 171.41 1ygw n SER 69 N -4.07 -2.56 0.00 4.32 3.41 -1.26 -4.82 113.62 108.64 1ygw n SER 69 Ca 0.06 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1ygw n SER 69 Cb 0.56 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 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 1.81 1.47 0.00 5.00 0.00 -1.25 -4.03 105.19 108.20 1ygw n GLY 70 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.63 -0.02 0.00 -1.26 -4.10 105.19 102.45 1ygw n GLY 71 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ygw n SER 72 N -1.62 4.76 -2.39 1.61 3.41 -1.26 -4.92 113.62 113.21 1ygw n SER 72 Ca 0.00 -3.44 -0.14 0.00 -0.26 0.00 0.00 58.87 55.03 1ygw n SER 72 Cb 0.16 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 63.11 1ygw n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ygw n PRO 73 N 1.01 1.80 -0.66 4.33 -0.04 -1.26 -4.48 135.00 135.69 1ygw n PRO 73 Ca 0.29 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1ygw n PRO 73 Cb 0.38 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 2.88 0.09 1.32 0.55 0.00 -1.26 -1.80 105.19 106.97 1ygw n GLY 74 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1ygw n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 75 N 1.00 0.00 -1.78 4.61 0.00 -1.26 -4.78 120.51 118.30 1ygw n ALA 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ygw n ALA 75 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 0.60 6.40 -0.14 0.00 1.01 -0.74 -1.79 116.67 122.00 1ygw s ASP 76 Ca 0.00 2.93 -0.12 0.00 0.71 0.00 0.00 52.55 56.07 1ygw s ASP 76 Cb 0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1ygw s ASP 76 CO 0.00 -0.89 0.37 -0.13 0.21 0.00 0.00 175.17 174.73 1ygw s ARG 77 N -0.64 0.42 -0.21 8.23 1.81 -0.36 -2.05 118.95 126.15 1ygw s ARG 77 Ca 0.62 0.55 -0.07 0.00 -1.72 0.00 0.00 55.73 55.11 1ygw s ARG 77 Cb -0.47 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.16 1ygw s ARG 77 CO 0.49 -0.07 0.06 0.54 -0.68 0.00 0.00 175.30 175.64 1ygw s VAL 78 N 0.39 4.52 -0.23 3.52 0.11 6.90 -0.95 120.40 134.66 1ygw s VAL 78 Ca -0.02 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 1ygw s VAL 78 Cb -0.04 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 1ygw s VAL 78 CO -0.02 0.41 0.11 -0.69 -3.33 0.00 0.00 175.10 171.59 1ygw s VAL 79 N 0.85 4.88 0.00 2.04 1.01 -1.25 0.16 120.40 128.09 1ygw s VAL 79 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1ygw s VAL 79 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ygw s VAL 79 CO 0.02 0.36 0.00 2.22 0.00 0.00 0.00 175.10 177.70 1ygw n PHE 80 N 4.38 0.00 -3.98 5.22 -1.74 0.58 1.28 117.46 123.21 1ygw n PHE 80 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1ygw n PHE 80 Cb 0.52 0.00 0.00 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 -0.40 0.55 -0.73 5.98 3.02 0.07 0.86 115.26 124.59 1ygw n ASN 81 Ca 0.00 -0.98 0.04 0.00 -0.03 0.00 0.00 54.58 53.61 1ygw n ASN 81 Cb 0.00 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 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 2.01 -0.04 3.52 2.13 -1.25 -3.34 120.64 123.66 1ygw n GLU 82 Ca 0.00 -1.17 0.01 0.00 0.66 0.00 0.00 57.16 56.67 1ygw n GLU 82 Cb 0.00 -1.43 -0.13 0.00 0.27 0.00 0.00 31.44 30.15 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 0.35 1.03 0.00 4.31 6.94 -1.26 -4.98 115.26 121.65 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 0.38 1.39 0.00 0.00 -2.36 0.00 0.00 39.78 39.20 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 -2.32 0.00 -4.58 0.53 2.04 -1.21 -5.10 115.26 104.62 1ygw n ASN 84 Ca -0.13 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.66 1ygw n ASN 84 Cb 0.71 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.85 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 -0.14 3.65 -0.01 -3.83 -0.21 -1.26 -4.93 119.66 112.93 1ygw s GLN 85 Ca 0.00 -0.44 -0.20 0.00 0.02 0.00 0.00 55.36 54.74 1ygw s GLN 85 Cb 0.00 -2.99 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 1ygw s GLN 85 CO 0.00 0.34 0.57 -1.17 -2.12 0.00 0.00 175.29 172.90 1ygw s LEU 86 N 0.14 4.42 0.06 2.90 1.98 -1.26 -0.75 118.68 126.16 1ygw s LEU 86 Ca 0.01 1.12 -0.17 0.00 -2.89 0.00 0.00 54.13 52.20 1ygw s LEU 86 Cb -0.13 -2.87 -0.14 0.00 0.66 0.00 0.00 46.19 43.71 1ygw s LEU 86 CO 0.02 0.13 1.31 0.00 -1.89 0.00 0.00 176.35 175.92 1ygw h ALA 87 N 5.54 0.27 0.00 5.97 0.00 9.31 -3.44 119.26 136.92 1ygw h ALA 87 Ca -0.46 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ygw h ALA 87 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ygw h ALA 87 CO 0.69 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1ygw n GLY 88 N 0.43 -0.53 3.10 0.00 0.00 -1.14 -4.40 105.19 102.63 1ygw n GLY 88 Ca -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -0.85 0.77 1.61 1.01 -1.26 -4.06 120.40 117.62 1ygw s VAL 89 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1ygw s VAL 89 Cb 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 36.38 36.18 1ygw s VAL 89 CO 0.00 -0.13 1.07 0.27 0.00 0.00 0.00 175.10 176.31 1ygw s ILE 90 N 1.95 2.14 -0.15 2.22 -4.36 -0.13 0.57 121.20 123.44 1ygw s ILE 90 Ca 0.15 -0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 1ygw s ILE 90 Cb -0.08 -2.72 0.09 0.00 1.25 0.00 0.00 42.46 41.00 1ygw s ILE 90 CO -0.10 0.00 0.79 0.28 0.24 0.00 0.00 174.94 176.15 1ygw s THR 91 N -3.33 0.00 -1.92 8.37 -1.32 0.21 -1.23 115.64 116.43 1ygw s THR 91 Ca 0.67 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 1ygw s THR 91 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1ygw s THR 91 CO 0.46 0.00 0.60 1.41 -2.21 0.00 0.00 174.62 174.88 1ygw n HIS 92 N 1.48 0.00 -1.42 9.09 8.25 -0.74 -2.98 115.22 128.89 1ygw n HIS 92 Ca -0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1ygw n HIS 92 Cb 0.57 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.44 0.00 -2.90 1.59 -1.04 -1.26 -2.96 114.28 107.27 1ygw n THR 93 Ca 0.00 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.05 61.41 1ygw n THR 93 Cb 0.01 -0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.57 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 5.77 -0.24 0.40 3.41 0.00 -1.26 -4.65 105.19 108.61 1ygw n GLY 94 Ca 0.43 0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.67 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 1.37 2.15 0.00 4.61 0.00 -1.76 -3.43 119.26 122.19 1ygw h ALA 95 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ygw h ALA 95 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ygw h ALA 95 CO 0.40 -0.48 0.00 0.45 0.00 0.00 0.00 179.25 179.62 1ygw n SER 96 N -4.58 0.00 0.00 0.00 2.88 -1.26 -4.91 113.62 105.76 1ygw n SER 96 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ygw n SER 96 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.41 0.13 0.46 0.00 -1.26 -4.46 105.19 100.47 1ygw n GLY 97 Ca 0.00 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 1.03 -4.51 1.61 4.05 -1.26 -4.94 115.26 111.24 1ygw n ASN 98 Ca 0.00 -0.83 -0.28 0.00 0.45 0.00 0.00 54.58 53.91 1ygw n ASN 98 Cb 0.00 0.51 0.25 0.00 1.23 0.00 0.00 39.78 41.77 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 -2.82 1.10 0.43 1.20 6.03 -1.26 -5.03 114.94 114.58 1ygw s ASN 99 Ca 0.14 1.54 0.05 0.00 -1.03 0.00 0.00 52.86 53.56 1ygw s ASN 99 Cb 0.17 -2.30 -0.06 0.00 -3.03 0.00 0.00 41.25 36.04 1ygw s ASN 99 CO 0.70 -4.13 0.01 -0.36 -2.03 0.00 0.00 177.10 171.29 1ygw s PHE 100 N -2.49 2.31 -0.28 1.54 0.08 -1.26 -4.64 117.98 113.24 1ygw s PHE 100 Ca 0.68 -0.77 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 1ygw s PHE 100 Cb -0.25 -1.70 0.11 0.00 -0.57 0.00 0.00 43.02 40.61 1ygw s PHE 100 CO 0.64 0.36 0.86 0.14 -0.10 0.00 0.00 175.22 177.12 1ygw s VAL 101 N -2.79 0.00 0.14 -0.44 -7.23 -1.16 -4.89 120.40 104.02 1ygw s VAL 101 Ca 0.28 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.10 1ygw s VAL 101 Cb 0.08 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.86 1ygw s VAL 101 CO 0.14 0.00 1.34 -0.62 -0.31 0.00 0.00 175.10 175.65 1ygw n GLU 102 N 3.33 1.40 -0.00 4.82 1.02 -1.26 0.67 120.64 130.61 1ygw n GLU 102 Ca -0.17 0.50 0.22 0.00 -0.02 0.00 0.00 57.16 57.69 1ygw n GLU 102 Cb 0.57 -2.13 0.71 0.00 -0.02 0.00 0.00 31.44 30.58 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31