#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 2.58 0.25 -4.17 0.00 9.92 0.24 -4.55 116.55 120.82 1ygw n ASP 3 Ca -0.14 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.81 1ygw n ASP 3 Cb 0.56 0.02 -0.17 0.00 -0.64 0.00 0.00 41.12 40.89 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 -1.06 2.46 -0.25 1.24 2.02 0.12 -4.91 117.35 116.97 1ygw s TYR 4 Ca 0.00 -1.13 0.03 0.00 -0.37 0.00 0.00 57.07 55.60 1ygw s TYR 4 Cb 0.00 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1ygw s TYR 4 CO 0.00 -0.50 -0.12 0.99 -1.57 0.00 0.00 175.55 174.35 1ygw s THR 5 N 0.64 2.15 -1.43 -0.71 2.01 -1.24 0.13 115.64 117.20 1ygw s THR 5 Ca -0.12 -1.58 -0.08 0.00 0.31 0.00 0.00 61.69 60.21 1ygw s THR 5 Cb -0.16 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1ygw s THR 5 CO 0.03 0.01 2.46 0.00 -0.69 0.00 0.00 174.62 176.43 1ygw n GLY 7 N 2.74 0.92 2.41 0.00 0.00 -1.26 -3.88 105.19 106.12 1ygw n GLY 7 Ca 0.63 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.47 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 2.12 3.55 -2.62 1.61 3.41 -1.26 -5.05 113.62 115.39 1ygw n SER 8 Ca 0.00 -3.14 -0.13 0.00 -0.26 0.00 0.00 58.87 55.34 1ygw n SER 8 Cb 0.00 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 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 -0.56 -0.84 -2.65 4.04 3.02 -1.25 -5.12 115.26 111.89 1ygw n ASN 9 Ca 0.29 -2.56 -0.03 0.00 -0.03 0.00 0.00 54.58 52.25 1ygw n ASN 9 Cb 0.85 1.68 0.05 0.00 -0.61 0.00 0.00 39.78 41.75 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 0.74 3.41 0.69 0.00 1.51 0.35 -4.27 117.35 119.77 1ygw s TYR 11 Ca 0.23 0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 56.83 1ygw s TYR 11 Cb 0.17 -2.50 0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1ygw s TYR 11 CO -0.10 0.05 1.07 0.45 -1.11 0.00 0.00 175.55 175.91 1ygw s SER 12 N 0.89 5.31 0.64 2.29 0.15 -1.22 0.82 113.70 122.57 1ygw s SER 12 Ca 0.20 1.71 0.16 0.00 0.70 0.00 0.00 55.95 58.71 1ygw s SER 12 Cb -0.14 -2.51 0.69 0.00 -1.71 0.00 0.00 66.02 62.35 1ygw s SER 12 CO 0.08 -1.49 1.33 0.77 1.20 0.00 0.00 173.24 175.12 1ygw h SER 13 N -0.52 0.00 1.75 5.45 4.64 -1.93 5.87 113.55 128.80 1ygw h SER 13 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1ygw h SER 13 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1ygw h SER 13 CO 0.56 0.00 -0.25 -1.28 -0.87 0.00 0.00 176.83 174.98 1ygw h SER 14 N 0.00 0.00 1.54 4.97 0.87 -1.98 -3.00 113.55 115.96 1ygw h SER 14 Ca 0.18 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1ygw h SER 14 Cb 2.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 1ygw h SER 14 CO -0.00 0.24 -0.47 0.44 -0.53 0.00 0.00 176.83 176.51 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 3.32 1.17 -3.10 116.42 124.04 1ygw h ASP 15 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ygw h ASP 15 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1ygw h ASP 15 CO 0.03 0.29 0.00 0.52 -1.72 0.00 0.00 179.24 178.37 1ygw n VAL 16 N -3.10 0.00 -0.39 -1.35 0.31 -0.92 -2.79 118.33 110.09 1ygw n VAL 16 Ca 0.01 0.65 -0.04 0.00 -0.01 0.00 0.00 64.34 64.96 1ygw n VAL 16 Cb 0.66 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -1.71 -0.76 -0.28 4.52 2.88 -1.14 0.12 113.62 117.25 1ygw n SER 17 Ca 0.00 1.74 0.09 0.00 -1.33 0.00 0.00 58.87 59.37 1ygw n SER 17 Cb 0.00 -0.35 0.22 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.27 -0.52 2.46 2.02 -1.69 0.76 112.91 116.22 1ygw h THR 18 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1ygw h THR 18 Cb 0.54 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1ygw h THR 18 CO -0.97 0.02 0.27 0.00 0.37 0.00 0.00 175.52 175.21 1ygw h ALA 19 N 1.78 0.67 0.82 6.16 0.00 0.11 -3.06 119.26 125.73 1ygw h ALA 19 Ca 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1ygw h ALA 19 Cb 0.91 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ygw h ALA 19 CO -0.71 0.21 -0.40 1.96 0.00 0.00 0.00 179.25 180.31 1ygw h GLN 20 N 0.70 -1.07 -0.74 0.00 4.20 0.23 -1.45 115.11 116.98 1ygw h GLN 20 Ca 0.18 0.07 0.29 0.00 0.06 0.00 0.00 58.65 59.26 1ygw h GLN 20 Cb 0.08 0.24 -0.11 0.00 0.30 0.00 0.00 27.48 27.99 1ygw h GLN 20 CO -0.03 -0.71 0.43 0.00 -0.67 0.00 0.00 178.83 177.85 1ygw n ALA 21 N -2.58 0.75 -0.04 3.87 0.00 0.16 0.31 120.51 123.00 1ygw n ALA 21 Ca -0.15 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1ygw n ALA 21 Cb 0.44 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 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 1.26 -0.02 -0.85 0.00 0.00 -1.35 0.21 119.26 118.51 1ygw h ALA 22 Ca 0.57 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1ygw h ALA 22 Cb 1.62 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1ygw h ALA 22 CO -0.46 -0.11 0.48 0.78 0.00 0.00 0.00 179.25 179.94 1ygw h GLY 23 N -0.82 1.35 0.07 0.00 0.00 0.59 -1.07 103.07 103.19 1ygw h GLY 23 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ygw h GLY 23 CO 0.00 0.08 -0.03 -1.82 0.00 0.00 0.00 176.54 174.77 1ygw h TYR 24 N 0.76 -0.09 -0.57 5.60 5.03 0.58 -2.11 116.97 126.18 1ygw h TYR 24 Ca 0.43 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.79 1ygw h TYR 24 Cb 0.47 0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.71 1ygw h TYR 24 CO -0.06 -0.06 -0.33 1.17 -1.32 0.00 0.00 178.16 177.56 1ygw n LYS 25 N -3.80 -0.25 -0.32 1.82 3.00 0.74 0.30 118.16 119.64 1ygw n LYS 25 Ca -0.01 1.02 0.01 0.00 -0.00 0.00 0.00 58.31 59.34 1ygw n LYS 25 Cb 0.04 -1.51 0.19 0.00 0.00 0.00 0.00 35.03 33.75 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 1.00 -0.14 3.14 5.85 -1.35 -0.26 115.31 123.55 1ygw h LEU 26 Ca 0.09 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ygw h LEU 26 Cb 0.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ygw h LEU 26 CO -0.53 0.68 0.07 -0.74 -0.34 0.00 0.00 178.44 177.58 1ygw h HIS 27 N 1.15 0.19 0.00 1.25 2.76 0.52 0.63 115.15 121.66 1ygw h HIS 27 Ca 0.37 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1ygw h HIS 27 Cb 0.03 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 1ygw h HIS 27 CO -0.00 0.21 -0.04 0.93 -1.30 0.00 0.00 177.93 177.73 1ygw h GLU 28 N 0.11 0.00 0.00 5.26 5.08 0.53 0.12 114.58 125.68 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 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ygw h GLU 28 CO -0.01 0.04 -0.78 -0.44 -1.00 0.00 0.00 179.01 176.82 1ygw h ASP 29 N 0.00 0.00 -0.24 1.42 5.19 -0.11 -3.48 116.42 119.21 1ygw h ASP 29 Ca -0.00 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1ygw h ASP 29 Cb 0.09 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1ygw h ASP 29 CO 0.01 0.02 -0.06 0.61 -3.12 0.00 0.00 179.24 176.69 1ygw n GLY 30 N 1.20 0.48 4.01 2.75 0.00 0.19 -5.04 105.19 108.78 1ygw n GLY 30 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.94 2.71 0.44 1.61 0.41 0.31 -5.00 118.70 116.25 1ygw s GLU 31 Ca 0.00 -1.28 0.01 0.00 -0.41 0.00 0.00 54.97 53.30 1ygw s GLU 31 Cb 0.00 -2.72 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1ygw s GLU 31 CO 0.00 -0.41 0.05 0.25 -0.49 0.00 0.00 175.26 174.67 1ygw n THR 32 N -1.96 0.00 -3.75 3.63 -2.24 -1.26 -4.39 114.28 104.32 1ygw n THR 32 Ca 0.09 -2.26 -0.15 0.00 -2.27 0.00 0.00 64.05 59.46 1ygw n THR 32 Cb 0.59 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.84 -0.07 0.00 2.28 -7.23 -0.18 -4.94 120.40 107.41 1ygw s VAL 33 Ca 0.08 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1ygw s VAL 33 Cb 0.00 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.78 1ygw s VAL 33 CO 0.05 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1ygw n GLY 34 N 4.36 -0.20 0.02 2.32 0.00 0.35 -3.95 105.19 108.08 1ygw n GLY 34 Ca -0.24 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.71 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 1.41 0.58 -2.48 1.61 7.64 -1.26 -4.63 113.62 116.47 1ygw n SER 35 Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1ygw n SER 35 Cb 0.00 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 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 -1.93 0.00 -2.32 6.43 4.13 -1.25 -4.93 115.26 115.39 1ygw n ASN 36 Ca 0.01 -0.45 -0.21 0.00 1.68 0.00 0.00 54.58 55.61 1ygw n ASN 36 Cb 0.44 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.36 4.21 -4.88 6.41 3.41 -1.26 -4.53 113.62 115.62 1ygw n SER 37 Ca 0.00 -3.47 -0.33 0.00 -0.26 0.00 0.00 58.87 54.81 1ygw n SER 37 Cb 0.00 -0.41 -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 -3.56 3.53 0.11 7.33 1.51 -1.26 -4.07 117.35 120.93 1ygw s TYR 38 Ca 0.45 0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 57.19 1ygw s TYR 38 Cb 0.40 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1ygw s TYR 38 CO -0.05 0.47 0.12 -0.35 -1.11 0.00 0.00 175.55 174.63 1ygw n PRO 39 N 0.51 -0.66 0.00 -1.71 -0.04 -1.26 -1.02 135.00 130.82 1ygw n PRO 39 Ca -0.05 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1ygw n PRO 39 Cb 0.52 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.45 0.00 -0.80 0.54 1.44 -1.14 -4.97 115.22 107.84 1ygw n HIS 40 Ca 0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.40 1ygw n HIS 40 Cb 0.06 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.28 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 -0.04 -0.28 0.00 -1.40 0.00 -1.26 0.28 118.16 115.46 1ygw n LYS 41 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.27 1ygw n LYS 41 Cb 0.00 -1.84 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 -3.56 0.00 0.00 5.64 4.19 0.26 -4.37 117.16 119.32 1ygw n TYR 42 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 1ygw n TYR 42 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 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 -1.32 0.00 0.00 2.98 5.03 -1.03 -4.77 115.26 116.15 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 5.23 0.00 0.00 6.41 6.94 -1.26 -4.79 115.26 127.78 1ygw n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ygw n ASN 44 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.33 -0.36 0.31 -2.53 4.01 -1.26 -4.93 117.16 111.07 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1ygw n TYR 45 Cb 0.00 0.07 0.28 0.00 -0.31 0.00 0.00 39.34 39.38 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 3.07 -1.95 -3.41 114.58 111.57 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1ygw n GLY 47 N -1.38 0.71 3.78 -3.84 0.00 -1.26 -5.12 105.19 98.08 1ygw n GLY 47 Ca -0.01 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.49 3.56 -1.18 1.61 0.08 -1.26 -4.99 117.98 115.31 1ygw s PHE 48 Ca 0.00 0.74 -0.04 0.00 0.12 0.00 0.00 56.93 57.75 1ygw s PHE 48 Cb 0.00 -2.30 0.17 0.00 -0.57 0.00 0.00 43.02 40.32 1ygw s PHE 48 CO 0.00 0.42 2.27 -0.25 -0.10 0.00 0.00 175.22 177.56 1ygw n ASP 49 N 2.86 7.76 -4.56 1.36 9.92 -1.26 -4.92 116.55 127.71 1ygw n ASP 49 Ca -0.13 -3.30 -0.25 0.00 -0.53 0.00 0.00 54.79 50.58 1ygw n ASP 49 Cb 0.52 -1.30 -0.05 0.00 -0.64 0.00 0.00 41.12 39.65 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 -2.04 1.37 -0.59 1.24 0.40 -1.26 -4.75 117.98 112.35 1ygw s PHE 50 Ca 0.51 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.22 1ygw s PHE 50 Cb 0.21 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 40.02 1ygw s PHE 50 CO -0.12 -1.93 0.46 -1.13 0.70 0.00 0.00 175.22 173.20 1ygw n SER 51 N 16.06 1.18 -4.58 1.36 3.41 -1.26 -4.71 113.62 125.08 1ygw n SER 51 Ca 0.39 -1.30 -0.24 0.00 -0.26 0.00 0.00 58.87 57.46 1ygw n SER 51 Cb 0.48 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.45 2.94 0.06 -3.33 -7.23 -1.26 -5.12 120.40 106.00 1ygw s VAL 52 Ca 0.00 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 57.87 1ygw s VAL 52 Cb 0.00 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.24 1ygw s VAL 52 CO 0.00 -0.35 0.57 -0.55 -0.31 0.00 0.00 175.10 174.46 1ygw s SER 53 N -3.62 7.04 1.11 4.85 0.15 -1.26 -5.05 113.70 116.92 1ygw s SER 53 Ca 0.31 1.24 -0.14 0.00 0.70 0.00 0.00 55.95 58.06 1ygw s SER 53 Cb -0.05 -2.36 0.25 0.00 -1.71 0.00 0.00 66.02 62.15 1ygw s SER 53 CO 0.18 0.24 1.06 -0.94 1.20 0.00 0.00 173.24 174.98 1ygw s SER 54 N -0.91 1.57 0.68 5.45 1.04 -1.26 -4.67 113.70 115.60 1ygw s SER 54 Ca 0.29 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.79 1ygw s SER 54 Cb -0.19 -1.83 -0.00 0.00 0.10 0.00 0.00 66.02 64.10 1ygw s SER 54 CO 0.19 -3.79 1.06 -2.16 0.98 0.00 0.00 173.24 169.52 1ygw s PRO 55 N -4.85 3.02 -0.32 4.02 0.04 -1.26 -4.79 135.00 130.85 1ygw s PRO 55 Ca 0.67 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1ygw s PRO 55 Cb -0.19 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ygw s PRO 55 CO 0.60 -1.04 0.22 0.71 0.04 0.00 0.00 177.00 177.53 1ygw s TYR 56 N -2.96 3.23 -0.15 0.56 2.02 -1.24 -3.69 117.35 115.12 1ygw s TYR 56 Ca 0.59 -0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 57.12 1ygw s TYR 56 Cb -0.14 -2.44 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1ygw s TYR 56 CO 0.52 -0.28 0.18 0.71 -1.57 0.00 0.00 175.55 175.10 1ygw s TYR 57 N 1.74 3.52 -0.02 2.71 2.02 4.67 0.91 117.35 132.90 1ygw s TYR 57 Ca 0.07 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1ygw s TYR 57 Cb -0.17 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 1ygw s TYR 57 CO 0.11 0.50 0.20 -1.83 -1.57 0.00 0.00 175.55 172.96 1ygw s GLU 58 N -0.33 3.48 -0.12 -0.62 4.04 0.14 0.33 118.70 125.62 1ygw s GLU 58 Ca 0.13 -0.22 -0.29 0.00 0.04 0.00 0.00 54.97 54.63 1ygw s GLU 58 Cb -0.12 -3.10 0.08 0.00 0.02 0.00 0.00 34.13 31.00 1ygw s GLU 58 CO 0.03 0.68 0.73 -0.46 -1.84 0.00 0.00 175.26 174.39 1ygw s TRP 59 N -1.28 -0.66 0.61 4.83 -0.11 0.43 -2.88 118.94 119.88 1ygw s TRP 59 Ca 0.26 1.30 -0.14 0.00 1.22 0.00 0.00 56.10 58.74 1ygw s TRP 59 Cb -0.13 0.37 -0.03 0.00 -1.50 0.00 0.00 33.47 32.19 1ygw s TRP 59 CO 0.16 -0.52 1.05 -1.25 -4.62 0.00 0.00 176.95 171.77 1ygw s PRO 60 N -0.72 3.28 -0.13 5.86 0.04 -1.26 0.84 135.00 142.90 1ygw s PRO 60 Ca -0.07 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1ygw s PRO 60 Cb -0.02 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1ygw s PRO 60 CO 0.06 -0.84 -0.22 -1.50 0.04 0.00 0.00 177.00 174.55 1ygw s ILE 61 N -2.65 2.12 -0.20 0.56 2.07 -0.88 -4.43 121.20 117.79 1ygw s ILE 61 Ca 0.61 -0.97 -0.20 0.00 -1.41 0.00 0.00 60.65 58.69 1ygw s ILE 61 Cb -0.15 -1.84 -0.03 0.00 0.13 0.00 0.00 42.46 40.58 1ygw s ILE 61 CO 0.42 0.55 0.58 -0.76 -1.91 0.00 0.00 174.94 173.82 1ygw s LEU 62 N 0.70 4.14 0.00 8.50 1.43 -1.26 -4.76 118.68 127.43 1ygw s LEU 62 Ca -0.10 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1ygw s LEU 62 Cb -0.16 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1ygw s LEU 62 CO 0.01 -0.24 0.92 -0.24 0.23 0.00 0.00 176.35 177.03 1ygw n SER 63 N 4.98 0.00 -0.21 2.29 2.88 -1.26 0.92 113.62 123.23 1ygw n SER 63 Ca -0.03 0.39 0.11 0.00 -1.33 0.00 0.00 58.87 58.02 1ygw n SER 63 Cb 0.50 -0.40 0.07 0.00 -0.75 0.00 0.00 64.21 63.63 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ygw n SER 64 N -1.40 1.26 -0.89 -3.46 7.64 -1.26 -4.96 113.62 110.55 1ygw n SER 64 Ca 0.00 -1.03 -0.05 0.00 1.01 0.00 0.00 58.87 58.80 1ygw n SER 64 Cb 0.01 0.55 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.45 0.39 0.00 0.23 0.00 0.26 -5.05 105.19 102.48 1ygw n GLY 65 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.75 1.38 -4.38 1.61 9.92 -1.26 -4.90 116.55 119.68 1ygw n ASP 66 Ca -0.03 -0.41 -0.35 0.00 -0.53 0.00 0.00 54.79 53.48 1ygw n ASP 66 Cb 0.53 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.88 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 0.62 3.60 0.27 2.53 1.01 -1.26 -4.30 120.40 122.87 1ygw s VAL 67 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1ygw s VAL 67 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 1ygw s VAL 67 CO 0.00 0.44 1.12 -0.31 0.00 0.00 0.00 175.10 176.35 1ygw s TYR 68 N 1.08 3.53 0.00 5.22 2.02 -1.26 -4.98 117.35 122.96 1ygw s TYR 68 Ca 0.01 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 1ygw s TYR 68 Cb -0.15 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 1ygw s TYR 68 CO 0.00 -0.69 0.00 -1.13 -1.57 0.00 0.00 175.55 172.16 1ygw n SER 69 N 1.28 0.00 -2.81 2.29 3.41 -1.26 -4.81 113.62 111.73 1ygw n SER 69 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1ygw n SER 69 Cb 0.45 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 3.49 -2.20 0.16 5.00 0.00 -1.26 0.13 105.19 110.51 1ygw n GLY 70 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1ygw n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ygw h GLY 71 N -0.05 0.00 -7.49 -0.02 0.00 -1.82 -3.36 103.07 90.33 1ygw h GLY 71 Ca -0.27 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.34 1ygw h GLY 71 CO 0.27 0.00 -0.37 -1.35 0.00 0.00 0.00 176.54 175.09 1ygw s SER 72 N -4.27 5.53 0.00 0.19 1.04 -1.26 -4.72 113.70 110.21 1ygw s SER 72 Ca 0.01 -2.39 0.00 0.00 0.48 0.00 0.00 55.95 54.05 1ygw s SER 72 Cb 0.08 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1ygw s SER 72 CO 0.31 -0.52 0.05 -0.81 0.98 0.00 0.00 173.24 173.25 1ygw n PRO 73 N 4.18 0.00 0.00 4.02 -0.04 -1.26 -5.00 135.00 136.91 1ygw n PRO 73 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ygw n PRO 73 Cb 0.40 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 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 2.06 -1.80 4.85 0.55 0.00 -1.26 -4.97 105.19 104.62 1ygw n GLY 74 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 0.00 -1.68 4.61 0.00 -1.26 -4.75 120.51 117.43 1ygw n ALA 75 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1ygw n ALA 75 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ygw n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ygw n ASP 76 N 0.00 3.38 -3.76 0.00 8.00 -1.26 -2.40 116.55 120.51 1ygw n ASP 76 Ca 0.00 1.03 -0.13 0.00 0.71 0.00 0.00 54.79 56.41 1ygw n ASP 76 Cb 0.00 -1.44 -0.11 0.00 -0.02 0.00 0.00 41.12 39.55 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 2.12 0.37 -0.13 -1.24 1.81 0.74 -2.07 118.95 120.55 1ygw s ARG 77 Ca 0.83 0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 55.25 1ygw s ARG 77 Cb -0.64 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.00 1ygw s ARG 77 CO 0.41 -0.05 -0.02 0.14 -0.68 0.00 0.00 175.30 175.11 1ygw s VAL 78 N 0.19 4.11 -0.07 3.52 -7.23 4.76 0.14 120.40 125.82 1ygw s VAL 78 Ca -0.00 -0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1ygw s VAL 78 Cb -0.02 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1ygw s VAL 78 CO 0.00 0.54 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.62 1ygw s VAL 79 N -0.16 4.09 0.00 1.32 1.01 -1.15 0.16 120.40 125.68 1ygw s VAL 79 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ygw s VAL 79 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1ygw s VAL 79 CO 0.02 0.57 0.00 2.22 0.00 0.00 0.00 175.10 177.92 1ygw n PHE 80 N 2.07 -0.23 -3.84 5.22 -1.74 1.02 0.76 117.46 120.72 1ygw n PHE 80 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1ygw n PHE 80 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.77 0.57 -1.10 5.98 3.02 -1.22 0.83 115.26 122.57 1ygw n ASN 81 Ca 0.00 -0.84 0.04 0.00 -0.03 0.00 0.00 54.58 53.75 1ygw n ASN 81 Cb 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 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 2.74 -0.05 3.52 2.13 -1.25 -3.48 120.64 124.25 1ygw n GLU 82 Ca 0.00 -1.49 -0.01 0.00 0.66 0.00 0.00 57.16 56.32 1ygw n GLU 82 Cb 0.00 -1.79 -0.14 0.00 0.27 0.00 0.00 31.44 29.78 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 0.34 0.85 0.00 4.31 6.94 -1.26 -4.99 115.26 121.45 1ygw n ASN 83 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1ygw n ASN 83 Cb 0.65 1.28 0.00 0.00 -2.36 0.00 0.00 39.78 39.35 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 -2.43 0.00 -4.45 0.53 2.04 -1.23 -5.12 115.26 104.61 1ygw n ASN 84 Ca -0.18 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.80 1ygw n ASN 84 Cb 0.82 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 38.13 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ygw n GLN 85 N -1.27 0.66 -4.41 -3.83 6.02 -1.26 -4.97 117.38 108.32 1ygw n GLN 85 Ca 0.00 -2.61 -0.22 0.00 -0.01 0.00 0.00 57.00 54.16 1ygw n GLN 85 Cb 0.00 -0.20 -0.16 0.00 1.02 0.00 0.00 30.24 30.89 1ygw n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ygw s LEU 86 N 0.00 1.57 0.18 1.08 2.96 -1.26 -3.43 118.68 119.78 1ygw s LEU 86 Ca 0.51 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1ygw s LEU 86 Cb -0.04 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 46.06 1ygw s LEU 86 CO 0.32 0.01 1.42 0.00 -1.32 0.00 0.00 176.35 176.79 1ygw h ALA 87 N 6.91 0.58 0.00 5.97 0.00 2.75 -3.45 119.26 132.03 1ygw h ALA 87 Ca -0.34 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1ygw h ALA 87 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ygw h ALA 87 CO 0.48 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1ygw n GLY 88 N 0.62 -0.50 2.66 0.00 0.00 -1.15 -4.41 105.19 102.41 1ygw n GLY 88 Ca -0.04 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.75 0.99 0.59 1.61 1.01 -1.26 -2.93 120.40 116.66 1ygw s VAL 89 Ca 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 59.84 1ygw s VAL 89 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1ygw s VAL 89 CO 0.00 -0.86 0.93 0.27 0.00 0.00 0.00 175.10 175.44 1ygw s ILE 90 N 0.84 4.04 -0.17 2.22 -4.36 0.12 0.50 121.20 124.38 1ygw s ILE 90 Ca 0.16 0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 60.60 1ygw s ILE 90 Cb -0.22 -3.60 0.05 0.00 1.25 0.00 0.00 42.46 39.93 1ygw s ILE 90 CO -0.06 -0.67 0.53 0.28 0.24 0.00 0.00 174.94 175.26 1ygw s THR 91 N -3.03 0.00 -0.27 8.37 -1.32 -0.24 -0.19 115.64 118.96 1ygw s THR 91 Ca 0.53 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1ygw s THR 91 Cb -0.11 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1ygw s THR 91 CO 0.47 -0.02 0.00 1.41 -2.21 0.00 0.00 174.62 174.27 1ygw n HIS 92 N 2.51 0.00 -2.64 9.09 8.25 -1.01 -1.90 115.22 129.51 1ygw n HIS 92 Ca -0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.09 1ygw n HIS 92 Cb 0.56 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.64 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 0.37 2.87 0.00 1.59 2.01 -1.26 -4.55 115.64 116.68 1ygw s THR 93 Ca 0.00 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1ygw s THR 93 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1ygw s THR 93 CO 0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1ygw n GLY 94 N -2.36 0.00 2.26 4.40 0.00 -1.26 -4.28 105.19 103.95 1ygw n GLY 94 Ca 0.07 0.00 -0.24 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 n ALA 95 N -0.26 2.82 0.10 4.61 0.00 -1.26 -4.81 120.51 121.70 1ygw n ALA 95 Ca 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 53.44 49.76 1ygw n ALA 95 Cb 0.00 -0.84 0.30 0.00 0.00 0.00 0.00 19.45 18.91 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 1.14 0.29 0.00 0.00 2.88 -1.26 -3.09 113.62 113.58 1ygw n SER 96 Ca 0.24 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1ygw n SER 96 Cb 0.51 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.34 0.26 3.44 0.46 0.00 -1.26 -4.91 105.19 101.83 1ygw n GLY 97 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1ygw n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ygw s ASN 98 N 0.48 7.08 0.00 1.61 3.04 -1.25 -4.85 114.94 121.05 1ygw s ASN 98 Ca 0.00 -3.03 0.00 0.00 0.04 0.00 0.00 52.86 49.87 1ygw s ASN 98 Cb 0.00 -2.37 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 1ygw s ASN 98 CO 0.00 -0.69 0.00 0.59 -3.04 0.00 0.00 177.10 173.96 1ygw n ASN 99 N 5.19 0.00 -3.70 -4.21 5.03 -1.18 -4.37 115.26 112.02 1ygw n ASN 99 Ca 0.33 -0.05 -0.14 0.00 0.87 0.00 0.00 54.58 55.60 1ygw n ASN 99 Cb 0.43 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.10 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ygw s PHE 100 N 0.10 -0.47 -0.29 3.10 0.08 -1.21 -2.62 117.98 116.67 1ygw s PHE 100 Ca 0.00 1.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.96 1ygw s PHE 100 Cb 0.00 0.18 0.14 0.00 -0.57 0.00 0.00 43.02 42.77 1ygw s PHE 100 CO 0.00 -0.30 0.95 0.14 -0.10 0.00 0.00 175.22 175.91 1ygw s VAL 101 N -0.16 0.00 -0.36 -0.44 -7.23 -0.80 -4.67 120.40 106.74 1ygw s VAL 101 Ca -0.03 0.00 -0.38 0.00 -1.81 0.00 0.00 61.98 59.75 1ygw s VAL 101 Cb -0.03 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.77 1ygw s VAL 101 CO 0.02 0.00 2.05 -1.84 -0.31 0.00 0.00 175.10 175.02 1ygw n GLU 102 N 3.70 0.88 -0.01 4.82 0.28 -1.24 -1.08 120.64 127.98 1ygw n GLU 102 Ca -0.18 0.27 -0.01 0.00 -0.16 0.00 0.00 57.16 57.08 1ygw n GLU 102 Cb 0.58 -2.16 0.01 0.00 1.43 0.00 0.00 31.44 31.29 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97