#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 2.19 0.14 -3.66 0.00 8.00 -1.26 -4.77 116.55 117.18 1ygw n ASP 3 Ca 0.21 -0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.07 1ygw n ASP 3 Cb 0.01 0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 41.71 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 -0.75 1.87 -0.44 1.24 2.02 -1.25 -4.83 117.35 115.21 1ygw s TYR 4 Ca 0.00 -2.39 -0.16 0.00 -0.37 0.00 0.00 57.07 54.15 1ygw s TYR 4 Cb 0.00 -1.74 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1ygw s TYR 4 CO 0.00 -0.77 0.38 0.99 -1.57 0.00 0.00 175.55 174.57 1ygw s THR 5 N 0.26 5.20 -1.45 -0.71 2.01 -1.25 -3.10 115.64 116.61 1ygw s THR 5 Ca 0.20 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 1ygw s THR 5 Cb -0.20 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1ygw s THR 5 CO -0.03 -0.46 2.43 0.00 -0.69 0.00 0.00 174.62 175.87 1ygw n GLY 7 N 3.15 0.71 2.56 0.00 0.00 -1.26 -3.96 105.19 106.39 1ygw n GLY 7 Ca 0.60 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 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 1.59 2.78 -2.11 1.61 3.41 -1.26 -5.06 113.62 114.58 1ygw n SER 8 Ca 0.00 -3.26 -0.09 0.00 -0.26 0.00 0.00 58.87 55.26 1ygw n SER 8 Cb 0.00 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.12 -0.55 -2.66 4.04 3.02 -1.25 -5.01 115.26 112.72 1ygw n ASN 9 Ca 0.25 -2.08 -0.03 0.00 -0.03 0.00 0.00 54.58 52.70 1ygw n ASN 9 Cb 0.64 1.11 0.11 0.00 -0.61 0.00 0.00 39.78 41.04 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.04 2.20 1.39 0.00 -0.85 -1.18 -4.55 117.35 114.41 1ygw s TYR 11 Ca 0.21 -2.19 -0.23 0.00 -0.52 0.00 0.00 57.07 54.35 1ygw s TYR 11 Cb 0.28 -2.02 0.36 0.00 0.38 0.00 0.00 41.96 40.96 1ygw s TYR 11 CO -0.18 -0.86 0.96 0.45 -1.52 0.00 0.00 175.55 174.40 1ygw s SER 12 N 1.12 -0.79 0.51 -0.18 0.15 -1.26 -3.80 113.70 109.45 1ygw s SER 12 Ca 0.12 0.77 0.19 0.00 0.70 0.00 0.00 55.95 57.73 1ygw s SER 12 Cb -0.20 -1.08 1.02 0.00 -1.71 0.00 0.00 66.02 64.06 1ygw s SER 12 CO -0.15 -5.19 1.52 0.77 1.20 0.00 0.00 173.24 171.39 1ygw h SER 13 N -3.30 0.00 0.95 5.45 4.64 -1.92 1.65 113.55 121.02 1ygw h SER 13 Ca -0.43 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ygw h SER 13 CO 0.28 0.00 -1.05 -1.28 -0.87 0.00 0.00 176.83 173.90 1ygw h SER 14 N 0.00 0.02 0.17 4.97 0.87 -1.95 -2.96 113.55 114.68 1ygw h SER 14 Ca 0.00 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.24 1ygw h SER 14 Cb 0.81 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1ygw h SER 14 CO 0.00 1.02 -1.44 0.44 -0.53 0.00 0.00 176.83 176.32 1ygw h ASP 15 N 0.00 0.57 -0.25 6.23 5.19 0.21 -3.35 116.42 125.02 1ygw h ASP 15 Ca -0.03 -0.91 0.06 0.00 -0.62 0.00 0.00 57.03 55.52 1ygw h ASP 15 Cb 1.80 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 41.06 1ygw h ASP 15 CO 0.13 1.66 -0.13 0.58 -3.12 0.00 0.00 179.24 178.36 1ygw h VAL 16 N -0.09 0.59 -0.79 -1.35 2.07 -1.07 -2.02 116.25 113.59 1ygw h VAL 16 Ca -0.28 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.34 1ygw h VAL 16 Cb 1.93 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 32.18 1ygw h VAL 16 CO 0.16 0.00 -0.35 -0.24 0.02 0.00 0.00 177.57 177.15 1ygw n SER 17 N -5.30 -0.60 -0.20 0.57 2.88 -1.12 0.17 113.62 110.02 1ygw n SER 17 Ca -0.01 1.38 -0.02 0.00 -1.33 0.00 0.00 58.87 58.89 1ygw n SER 17 Cb 0.22 -0.28 0.05 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.79 2.46 2.02 -1.52 0.71 112.91 116.16 1ygw h THR 18 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1ygw h THR 18 Cb 0.43 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1ygw h THR 18 CO -0.77 0.00 0.46 0.00 0.37 0.00 0.00 175.52 175.59 1ygw h ALA 19 N 1.51 1.00 0.77 6.16 0.00 0.18 -2.94 119.26 125.93 1ygw h ALA 19 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ygw h ALA 19 Cb 0.46 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ygw h ALA 19 CO -0.62 0.48 -0.37 1.96 0.00 0.00 0.00 179.25 180.69 1ygw h GLN 20 N 1.08 -1.00 -1.25 0.00 4.20 0.33 -1.97 115.11 116.50 1ygw h GLN 20 Ca 0.28 0.07 0.40 0.00 0.06 0.00 0.00 58.65 59.46 1ygw h GLN 20 Cb -0.02 0.23 -0.09 0.00 0.30 0.00 0.00 27.48 27.89 1ygw h GLN 20 CO -0.05 -0.67 0.84 0.00 -0.67 0.00 0.00 178.83 178.28 1ygw n ALA 21 N -2.54 1.22 0.12 3.87 0.00 0.21 0.23 120.51 123.62 1ygw n ALA 21 Ca -0.15 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1ygw n ALA 21 Cb 0.42 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 1.11 -0.38 -0.71 0.00 0.00 -1.31 -0.42 119.26 117.54 1ygw h ALA 22 Ca 0.71 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.52 1ygw h ALA 22 Cb 2.49 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 20.36 1ygw h ALA 22 CO -0.25 -0.42 0.38 0.78 0.00 0.00 0.00 179.25 179.73 1ygw h GLY 23 N -0.96 1.06 0.51 0.00 0.00 0.32 -1.60 103.07 102.40 1ygw h GLY 23 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1ygw h GLY 23 CO 0.06 0.11 -0.25 -1.82 0.00 0.00 0.00 176.54 174.64 1ygw h TYR 24 N 0.66 -0.64 -0.80 5.60 3.20 -0.07 0.30 116.97 125.22 1ygw h TYR 24 Ca 0.34 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.26 1ygw h TYR 24 Cb 0.30 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.68 1ygw h TYR 24 CO -0.09 -0.40 -0.47 1.17 -1.64 0.00 0.00 178.16 176.73 1ygw n LYS 25 N -4.15 -0.35 -0.12 1.82 3.00 -0.17 0.29 118.16 118.48 1ygw n LYS 25 Ca -0.09 1.35 0.07 0.00 -0.00 0.00 0.00 58.31 59.64 1ygw n LYS 25 Cb 0.27 -1.99 0.40 0.00 0.00 0.00 0.00 35.03 33.71 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 0.56 0.07 3.14 5.85 -1.33 -0.32 115.31 123.28 1ygw h LEU 26 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ygw h LEU 26 Cb 0.33 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ygw h LEU 26 CO -0.76 0.37 -0.04 -0.74 -0.34 0.00 0.00 178.44 176.94 1ygw h HIS 27 N 0.64 -0.09 -0.14 1.25 2.76 0.71 0.48 115.15 120.76 1ygw h HIS 27 Ca 0.27 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 1ygw h HIS 27 Cb 0.25 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1ygw h HIS 27 CO -0.00 0.23 0.14 0.93 -1.30 0.00 0.00 177.93 177.93 1ygw h GLU 28 N -0.41 0.00 0.00 5.26 5.08 0.52 0.54 114.58 125.57 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 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ygw h GLU 28 CO 0.02 0.00 -0.79 -0.44 -1.00 0.00 0.00 179.01 176.80 1ygw h ASP 29 N 0.00 0.00 -0.33 1.42 5.19 -0.68 -3.48 116.42 118.54 1ygw h ASP 29 Ca 0.07 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.23 1ygw h ASP 29 Cb 0.35 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1ygw h ASP 29 CO -0.00 0.08 -0.09 0.61 -3.12 0.00 0.00 179.24 176.72 1ygw n GLY 30 N 1.28 0.57 4.03 2.75 0.00 0.19 -5.03 105.19 108.98 1ygw n GLY 30 Ca 0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.89 2.35 0.43 1.61 0.41 0.13 -4.99 118.70 115.75 1ygw s GLU 31 Ca 0.00 -1.52 0.04 0.00 -0.41 0.00 0.00 54.97 53.08 1ygw s GLU 31 Cb 0.00 -2.64 -0.02 0.00 -1.78 0.00 0.00 34.13 29.69 1ygw s GLU 31 CO 0.00 -0.80 0.12 0.95 -0.49 0.00 0.00 175.26 175.04 1ygw s THR 32 N -2.65 0.63 -0.06 3.63 -4.23 -1.26 -4.42 115.64 107.27 1ygw s THR 32 Ca 0.61 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1ygw s THR 32 Cb -0.06 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.50 1ygw s THR 32 CO 0.38 0.00 -0.02 0.68 -0.54 0.00 0.00 174.62 175.12 1ygw s VAL 33 N -3.16 0.44 0.00 2.29 -7.23 -0.45 -4.97 120.40 107.32 1ygw s VAL 33 Ca 0.21 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1ygw s VAL 33 Cb 0.02 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.42 1ygw s VAL 33 CO 0.13 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 1ygw n GLY 34 N 4.62 -0.30 0.00 2.32 0.00 -1.25 -3.70 105.19 106.89 1ygw n GLY 34 Ca -0.16 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 0.80 0.76 -2.33 1.61 3.41 -1.26 -4.84 113.62 111.77 1ygw n SER 35 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1ygw n SER 35 Cb 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.57 0.00 -2.44 4.04 4.13 -1.26 -4.97 115.26 113.20 1ygw n ASN 36 Ca 0.04 -0.31 -0.19 0.00 1.68 0.00 0.00 54.58 55.80 1ygw n ASN 36 Cb 0.35 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.61 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 -0.92 3.73 -4.88 6.41 3.41 -1.26 -4.56 113.62 115.55 1ygw n SER 37 Ca 0.00 -3.32 -0.34 0.00 -0.26 0.00 0.00 58.87 54.95 1ygw n SER 37 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.51 3.57 0.21 7.33 1.51 -1.26 -3.96 117.35 121.24 1ygw s TYR 38 Ca 0.42 0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 57.06 1ygw s TYR 38 Cb 0.40 -2.03 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1ygw s TYR 38 CO -0.07 0.57 0.23 -0.35 -1.11 0.00 0.00 175.55 174.82 1ygw n PRO 39 N 0.93 -0.82 -3.62 -1.71 -0.04 -1.26 -1.34 135.00 127.14 1ygw n PRO 39 Ca -0.09 -0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 62.99 1ygw n PRO 39 Cb 0.52 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.46 -0.03 0.78 0.54 -3.43 -1.14 -4.97 115.29 105.58 1ygw s HIS 40 Ca 0.14 0.01 -0.17 0.00 -0.80 0.00 0.00 55.06 54.25 1ygw s HIS 40 Cb -0.01 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.55 1ygw s HIS 40 CO 0.10 -0.07 -0.15 1.17 -2.00 0.00 0.00 174.74 173.79 1ygw n LYS 41 N -0.14 0.05 -0.04 -0.38 0.00 -1.26 -0.12 118.16 116.27 1ygw n LYS 41 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1ygw n LYS 41 Cb 0.58 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.31 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 -2.30 0.00 0.00 5.64 4.19 0.21 -4.35 117.16 120.55 1ygw n TYR 42 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 1ygw n TYR 42 Cb 0.52 0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.38 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 -3.90 2.98 5.03 -1.25 -4.69 115.26 113.42 1ygw n ASN 43 Ca 0.00 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.19 1ygw n ASN 43 Cb 0.51 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.44 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 -2.79 0.00 6.41 6.94 -1.26 -4.89 115.26 119.66 1ygw n ASN 44 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1ygw n ASN 44 Cb 0.00 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 36.57 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 -4.48 0.00 0.26 -2.53 4.02 -1.26 -4.94 117.16 108.22 1ygw n TYR 45 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.01 1ygw n TYR 45 Cb 0.50 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 40.13 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 4.39 -1.92 -3.41 114.58 112.92 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ygw n GLY 47 N -1.45 0.69 3.78 -3.84 0.00 -1.26 -5.13 105.19 97.97 1ygw n GLY 47 Ca 0.02 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.07 3.48 -1.18 1.61 0.08 -1.26 -5.00 117.98 115.64 1ygw s PHE 48 Ca 0.00 0.41 -0.06 0.00 0.12 0.00 0.00 56.93 57.40 1ygw s PHE 48 Cb 0.00 -2.10 0.24 0.00 -0.57 0.00 0.00 43.02 40.59 1ygw s PHE 48 CO 0.00 0.44 1.72 -0.25 -0.10 0.00 0.00 175.22 177.03 1ygw n ASP 49 N 3.01 5.98 -4.56 1.36 8.00 -1.26 -4.91 116.55 124.16 1ygw n ASP 49 Ca -0.17 -3.28 -0.41 0.00 0.71 0.00 0.00 54.79 51.64 1ygw n ASP 49 Cb 0.53 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 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 -1.41 2.14 -0.03 1.24 0.08 -1.26 -4.83 117.98 113.90 1ygw s PHE 50 Ca 0.36 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.81 1ygw s PHE 50 Cb 0.08 -4.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.15 1ygw s PHE 50 CO 0.04 -2.10 0.56 -1.13 -0.10 0.00 0.00 175.22 172.50 1ygw n SER 51 N 10.23 1.68 -4.28 1.36 3.41 -1.26 -4.68 113.62 120.07 1ygw n SER 51 Ca 0.12 -1.14 -0.16 0.00 -0.26 0.00 0.00 58.87 57.43 1ygw n SER 51 Cb 0.50 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.38 1.36 0.20 -3.33 -7.23 -1.26 -5.06 120.40 105.46 1ygw s VAL 52 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 1ygw s VAL 52 Cb 0.00 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 1ygw s VAL 52 CO 0.00 -0.69 0.56 -0.55 -0.31 0.00 0.00 175.10 174.12 1ygw s SER 53 N -3.22 6.73 1.00 4.85 0.15 -1.26 -5.06 113.70 116.89 1ygw s SER 53 Ca 0.19 1.02 -0.14 0.00 0.70 0.00 0.00 55.95 57.72 1ygw s SER 53 Cb 0.02 -2.27 0.19 0.00 -1.71 0.00 0.00 66.02 62.25 1ygw s SER 53 CO 0.03 0.00 1.14 -0.94 1.20 0.00 0.00 173.24 174.67 1ygw s SER 54 N -2.04 2.69 0.64 5.45 1.04 -1.26 -4.63 113.70 115.59 1ygw s SER 54 Ca 0.43 0.89 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 1ygw s SER 54 Cb -0.13 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.60 1ygw s SER 54 CO 0.20 -3.05 1.05 -2.16 0.98 0.00 0.00 173.24 170.26 1ygw s PRO 55 N -5.28 3.17 -0.20 4.02 0.04 -1.26 -4.85 135.00 130.64 1ygw s PRO 55 Ca 0.67 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1ygw s PRO 55 Cb -0.14 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1ygw s PRO 55 CO 0.55 -0.92 0.22 0.71 0.04 0.00 0.00 177.00 177.60 1ygw s TYR 56 N -2.76 3.40 -0.19 0.56 2.02 -1.25 -3.81 117.35 115.32 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 -0.15 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 1ygw s TYR 56 CO 0.46 0.18 0.01 0.71 -1.57 0.00 0.00 175.55 175.33 1ygw s TYR 57 N 0.69 3.07 -0.05 2.71 2.02 4.34 0.67 117.35 130.80 1ygw s TYR 57 Ca 0.12 -0.32 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 1ygw s TYR 57 Cb -0.13 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.32 1ygw s TYR 57 CO 0.03 -0.13 0.45 -1.83 -1.57 0.00 0.00 175.55 172.49 1ygw s GLU 58 N 0.79 4.15 -0.00 -0.62 -1.05 0.83 0.26 118.70 123.06 1ygw s GLU 58 Ca 0.01 0.45 -0.10 0.00 -0.15 0.00 0.00 54.97 55.17 1ygw s GLU 58 Cb -0.14 -3.33 0.01 0.00 -0.44 0.00 0.00 34.13 30.23 1ygw s GLU 58 CO 0.02 0.43 0.21 -0.46 0.95 0.00 0.00 175.26 176.41 1ygw s TRP 59 N -0.26 -0.05 0.53 4.83 -0.11 0.79 -2.88 118.94 121.77 1ygw s TRP 59 Ca 0.25 0.04 -0.18 0.00 1.22 0.00 0.00 56.10 57.42 1ygw s TRP 59 Cb -0.16 0.01 -0.07 0.00 -1.50 0.00 0.00 33.47 31.75 1ygw s TRP 59 CO 0.12 -0.33 1.04 -1.25 -4.62 0.00 0.00 176.95 171.92 1ygw s PRO 60 N -1.35 3.64 -0.19 5.86 0.04 -1.26 0.45 135.00 142.18 1ygw s PRO 60 Ca -0.14 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1ygw s PRO 60 Cb -0.07 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ygw s PRO 60 CO 0.03 -0.56 -0.17 -1.50 0.04 0.00 0.00 177.00 174.83 1ygw s ILE 61 N -2.18 2.02 -0.24 0.56 2.07 -1.11 -4.49 121.20 117.83 1ygw s ILE 61 Ca 0.65 -1.04 -0.22 0.00 -1.41 0.00 0.00 60.65 58.63 1ygw s ILE 61 Cb -0.16 -1.90 -0.01 0.00 0.13 0.00 0.00 42.46 40.52 1ygw s ILE 61 CO 0.27 0.42 0.72 -0.76 -1.91 0.00 0.00 174.94 173.67 1ygw s LEU 62 N 1.28 4.09 0.03 8.50 1.43 -1.26 -4.69 118.68 128.05 1ygw s LEU 62 Ca 0.02 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1ygw s LEU 62 Cb -0.14 -3.02 0.11 0.00 0.03 0.00 0.00 46.19 43.17 1ygw s LEU 62 CO -0.11 -0.42 1.00 -0.24 0.23 0.00 0.00 176.35 176.81 1ygw n SER 63 N 5.72 0.05 0.06 2.29 2.88 -1.26 0.13 113.62 123.49 1ygw n SER 63 Ca 0.02 0.47 0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1ygw n SER 63 Cb 0.48 -0.47 0.11 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.52 0.70 -0.39 -3.46 7.64 -1.26 -4.96 113.62 110.37 1ygw n SER 64 Ca -0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ygw n SER 64 Cb 0.06 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.32 0.88 1.06 0.23 0.00 0.35 -5.07 105.19 103.96 1ygw n GLY 65 Ca 0.02 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 1.48 1.83 -4.26 1.61 8.00 -1.26 -4.95 116.55 119.00 1ygw n ASP 66 Ca 0.00 -1.57 -0.38 0.00 0.71 0.00 0.00 54.79 53.55 1ygw n ASP 66 Cb 0.47 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.48 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ygw s VAL 67 N -1.05 3.80 0.99 2.53 1.01 -1.26 -4.38 120.40 122.04 1ygw s VAL 67 Ca 0.05 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1ygw s VAL 67 Cb -0.00 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1ygw s VAL 67 CO 0.03 -0.25 -0.53 0.00 0.00 0.00 0.00 175.10 174.36 1ygw n TYR 68 N 4.81 -3.76 -2.70 5.22 9.36 -1.26 -4.97 117.16 123.86 1ygw n TYR 68 Ca -0.12 0.10 -0.07 0.00 3.32 0.00 0.00 57.90 61.14 1ygw n TYR 68 Cb 0.44 -1.52 0.10 0.00 -0.63 0.00 0.00 39.34 37.73 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 2.03 -1.90 -0.78 2.98 3.41 -1.26 -4.86 113.62 113.23 1ygw n SER 69 Ca 0.00 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1ygw n SER 69 Cb 0.57 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 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 -0.34 2.05 0.10 5.00 0.00 -1.24 -3.86 105.19 106.89 1ygw n GLY 70 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.83 3.07 -0.02 0.00 -1.26 -3.86 105.19 102.29 1ygw n GLY 71 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.53 5.53 -0.08 1.61 0.01 -1.26 -4.86 113.70 109.12 1ygw s SER 72 Ca -0.14 -3.44 -0.25 0.00 1.31 0.00 0.00 55.95 53.43 1ygw s SER 72 Cb 0.06 -1.85 -0.21 0.00 0.21 0.00 0.00 66.02 64.24 1ygw s SER 72 CO 0.74 -0.23 0.92 1.55 0.41 0.00 0.00 173.24 176.63 1ygw h PRO 73 N 6.27 -0.05 0.00 12.44 0.13 -1.95 -3.51 132.00 145.34 1ygw h PRO 73 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ygw h PRO 73 Cb 0.85 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ygw h PRO 73 CO 0.78 0.62 0.00 0.41 -0.23 0.00 0.00 178.00 179.58 1ygw n GLY 74 N 0.94 2.19 0.24 1.56 0.00 -1.26 -4.94 105.19 103.91 1ygw n GLY 74 Ca -0.09 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.82 -2.52 4.61 0.00 -1.94 -3.41 119.26 116.82 1ygw h ALA 75 Ca 0.00 0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 1ygw h ALA 75 Cb 0.00 0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.85 1ygw h ALA 75 CO 0.00 -0.14 1.09 -0.25 0.00 0.00 0.00 179.25 179.95 1ygw n ASP 76 N -4.95 4.02 -3.73 0.00 8.00 -1.26 -2.22 116.55 116.42 1ygw n ASP 76 Ca 0.09 1.00 -0.13 0.00 0.71 0.00 0.00 54.79 56.46 1ygw n ASP 76 Cb 0.26 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.71 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 2.37 0.48 -0.01 -1.24 1.81 0.03 -2.75 118.95 119.64 1ygw s ARG 77 Ca 0.80 0.58 -0.00 0.00 -1.72 0.00 0.00 55.73 55.40 1ygw s ARG 77 Cb -0.49 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 1ygw s ARG 77 CO 0.36 -0.06 0.05 0.14 -0.68 0.00 0.00 175.30 175.11 1ygw s VAL 78 N 0.25 4.51 -0.03 3.52 -7.23 1.56 -0.53 120.40 122.45 1ygw s VAL 78 Ca -0.00 -0.45 0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1ygw s VAL 78 Cb -0.03 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1ygw s VAL 78 CO 0.00 0.39 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.25 1ygw s VAL 79 N -1.13 1.89 0.00 1.32 1.01 -1.25 0.28 120.40 122.52 1ygw s VAL 79 Ca 0.21 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1ygw s VAL 79 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1ygw s VAL 79 CO 0.11 0.53 0.00 2.22 0.00 0.00 0.00 175.10 177.97 1ygw n PHE 80 N 2.62 -0.06 -3.48 5.22 -1.74 0.73 0.76 117.46 121.50 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 -0.37 0.67 -1.39 5.98 3.02 -1.25 0.80 115.26 122.72 1ygw n ASN 81 Ca 0.00 -0.48 0.05 0.00 -0.03 0.00 0.00 54.58 54.11 1ygw n ASN 81 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 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 3.50 -0.07 3.52 2.13 -1.25 -3.71 120.64 124.76 1ygw n GLU 82 Ca 0.00 -2.03 -0.07 0.00 0.66 0.00 0.00 57.16 55.72 1ygw n GLU 82 Cb 0.00 -1.99 -0.11 0.00 0.27 0.00 0.00 31.44 29.62 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 0.41 1.70 0.00 4.31 6.94 -1.26 -5.00 115.26 122.36 1ygw n ASN 83 Ca 0.18 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1ygw n ASN 83 Cb 0.85 0.81 0.00 0.00 -2.36 0.00 0.00 39.78 39.09 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 -2.51 0.00 -3.44 0.53 2.04 -1.24 -5.12 115.26 105.52 1ygw n ASN 84 Ca -0.22 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 53.81 1ygw n ASN 84 Cb 0.94 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 38.24 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 -0.85 0.50 -4.39 -3.83 6.02 -1.26 -4.94 117.38 108.63 1ygw n GLN 85 Ca 0.00 -1.53 -0.25 0.00 -0.01 0.00 0.00 57.00 55.21 1ygw n GLN 85 Cb 0.00 -0.24 -0.17 0.00 1.02 0.00 0.00 30.24 30.85 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1ygw s LEU 86 N 0.00 1.52 0.12 1.08 0.05 -1.26 -3.78 118.68 116.41 1ygw s LEU 86 Ca 0.34 -0.30 -0.12 0.00 0.05 0.00 0.00 54.13 54.10 1ygw s LEU 86 Cb -0.02 -0.83 -0.10 0.00 -2.05 0.00 0.00 46.19 43.19 1ygw s LEU 86 CO 0.22 -0.01 1.39 0.00 -0.55 0.00 0.00 176.35 177.40 1ygw h ALA 87 N 7.31 0.44 0.00 1.48 0.00 2.76 -3.43 119.26 127.82 1ygw h ALA 87 Ca -0.31 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1ygw h ALA 87 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ygw h ALA 87 CO 0.46 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1ygw n GLY 88 N 0.43 -0.62 2.78 0.00 0.00 -1.16 -4.20 105.19 102.42 1ygw n GLY 88 Ca -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.13 -0.40 0.53 1.61 1.01 -1.26 -3.82 120.40 114.94 1ygw s VAL 89 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ygw s VAL 89 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ygw s VAL 89 CO 0.00 -0.49 0.78 0.27 0.00 0.00 0.00 175.10 175.67 1ygw s ILE 90 N 2.08 3.52 -0.06 2.22 -4.36 0.32 0.68 121.20 125.59 1ygw s ILE 90 Ca 0.12 -0.37 -0.31 0.00 -0.26 0.00 0.00 60.65 59.83 1ygw s ILE 90 Cb -0.14 -3.34 0.08 0.00 1.25 0.00 0.00 42.46 40.30 1ygw s ILE 90 CO -0.23 -0.28 0.72 0.28 0.24 0.00 0.00 174.94 175.66 1ygw s THR 91 N -2.77 0.00 -1.42 8.37 -1.32 0.20 -0.79 115.64 117.91 1ygw s THR 91 Ca 0.53 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 1ygw s THR 91 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1ygw s THR 91 CO 0.41 0.00 0.58 1.41 -2.21 0.00 0.00 174.62 174.81 1ygw n HIS 92 N 0.87 0.00 -1.47 9.09 8.25 -0.94 -2.35 115.22 128.66 1ygw n HIS 92 Ca -0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 1ygw n HIS 92 Cb 0.57 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.16 0.00 -3.82 1.59 -1.04 -1.26 -2.84 114.28 106.75 1ygw n THR 93 Ca 0.00 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.05 61.26 1ygw n THR 93 Cb 0.12 -1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 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 5.98 -0.30 0.10 3.41 0.00 -1.26 -4.64 105.19 108.49 1ygw n GLY 94 Ca 0.47 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.22 0.94 -0.04 4.61 0.00 -1.13 -4.73 120.51 116.93 1ygw n ALA 95 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ygw n ALA 95 Cb 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.94 -0.04 0.00 0.00 2.88 -1.26 -4.72 113.62 108.54 1ygw n SER 96 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1ygw n SER 96 Cb 0.08 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.02 0.12 0.99 0.46 0.00 -1.26 -4.57 105.19 100.91 1ygw n GLY 97 Ca 0.00 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 2.88 -4.80 1.61 4.05 -1.26 -4.93 115.26 112.81 1ygw n ASN 98 Ca 0.00 -1.99 -0.31 0.00 0.45 0.00 0.00 54.58 52.73 1ygw n ASN 98 Cb 0.00 -0.35 0.05 0.00 1.23 0.00 0.00 39.78 40.72 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 -1.04 5.20 0.38 1.20 6.03 -1.26 -5.05 114.94 120.39 1ygw s ASN 99 Ca 0.36 1.72 0.08 0.00 -1.03 0.00 0.00 52.86 53.99 1ygw s ASN 99 Cb 0.19 -2.51 -0.04 0.00 -3.03 0.00 0.00 41.25 35.86 1ygw s ASN 99 CO 0.25 -1.57 0.18 -0.36 -2.03 0.00 0.00 177.10 173.58 1ygw s PHE 100 N -2.88 2.66 -0.28 1.54 0.08 -1.26 -4.47 117.98 113.37 1ygw s PHE 100 Ca 0.60 -0.48 -0.19 0.00 0.12 0.00 0.00 56.93 56.98 1ygw s PHE 100 Cb -0.15 -1.83 0.09 0.00 -0.57 0.00 0.00 43.02 40.56 1ygw s PHE 100 CO 0.52 0.23 0.79 0.14 -0.10 0.00 0.00 175.22 176.80 1ygw s VAL 101 N -2.50 0.00 0.03 -0.44 -7.23 -0.99 -4.86 120.40 104.40 1ygw s VAL 101 Ca 0.40 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.22 1ygw s VAL 101 Cb -0.00 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.80 1ygw s VAL 101 CO 0.23 0.00 1.67 -1.84 -0.31 0.00 0.00 175.10 174.85 1ygw n GLU 102 N 3.52 1.94 0.00 4.82 0.28 -1.25 0.59 120.64 130.54 1ygw n GLU 102 Ca -0.17 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1ygw n GLU 102 Cb 0.57 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 30.97 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97