#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 -0.14 0.00 -3.63 0.00 9.92 -1.26 -3.48 116.55 117.96 1ygw n ASP 3 Ca 0.39 0.96 -0.25 0.00 -0.53 0.00 0.00 54.79 55.37 1ygw n ASP 3 Cb 0.32 -0.48 -0.17 0.00 -0.64 0.00 0.00 41.12 40.16 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 -4.80 0.18 -0.28 1.24 2.02 -1.26 -4.90 117.35 109.55 1ygw s TYR 4 Ca -0.05 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1ygw s TYR 4 Cb 0.26 -0.65 0.08 0.00 -0.40 0.00 0.00 41.96 41.24 1ygw s TYR 4 CO 0.86 -0.43 -0.04 0.99 -1.57 0.00 0.00 175.55 175.35 1ygw s THR 5 N 2.14 2.04 -1.49 -0.71 2.01 -1.23 -0.10 115.64 118.31 1ygw s THR 5 Ca 0.03 -1.80 -0.13 0.00 0.31 0.00 0.00 61.69 60.10 1ygw s THR 5 Cb -0.15 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1ygw s THR 5 CO -0.08 -0.26 2.36 0.00 -0.69 0.00 0.00 174.62 175.96 1ygw n GLY 7 N 3.95 1.93 2.70 0.00 0.00 -1.26 -4.23 105.19 108.28 1ygw n GLY 7 Ca 0.57 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 2.55 -1.65 -1.22 1.61 3.41 -1.26 -5.07 113.62 111.99 1ygw n SER 8 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1ygw n SER 8 Cb 0.00 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.57 1.70 -2.69 4.04 3.02 -1.26 -5.10 115.26 114.40 1ygw n ASN 9 Ca -0.02 -0.66 -0.04 0.00 -0.03 0.00 0.00 54.58 53.83 1ygw n ASN 9 Cb 0.85 0.00 0.04 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 2.37 1.79 -0.50 0.00 4.01 0.86 -4.88 117.16 120.81 1ygw n TYR 11 Ca 0.11 -2.08 -0.16 0.00 -0.16 0.00 0.00 57.90 55.61 1ygw n TYR 11 Cb 0.64 -1.43 0.01 0.00 -0.31 0.00 0.00 39.34 38.25 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 0.92 -1.81 -0.06 7.72 2.88 -1.25 -3.04 113.62 118.98 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 0.50 -0.35 0.29 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.17 0.00 0.11 -3.46 3.41 -1.26 0.61 113.62 114.20 1ygw n SER 13 Ca 0.02 0.65 -0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1ygw n SER 13 Cb 0.21 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.62 4.04 0.87 -1.97 -2.95 113.55 115.16 1ygw h SER 14 Ca 0.33 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 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 0.64 -0.38 0.44 -0.53 0.00 0.00 176.83 176.99 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 3.32 1.75 -3.09 116.42 124.62 1ygw h ASP 15 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ygw h ASP 15 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1ygw h ASP 15 CO 0.08 0.22 0.00 0.52 -1.72 0.00 0.00 179.24 178.34 1ygw n VAL 16 N -3.08 0.00 -0.36 -1.35 0.31 -0.63 -2.58 118.33 110.64 1ygw n VAL 16 Ca 0.02 0.71 -0.01 0.00 -0.01 0.00 0.00 64.34 65.05 1ygw n VAL 16 Cb 0.63 -1.59 0.05 0.00 -0.91 0.00 0.00 33.84 32.02 1ygw n VAL 16 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ygw h SER 17 N 0.00 -1.33 -0.68 4.52 0.87 -1.68 0.73 113.55 115.97 1ygw h SER 17 Ca 0.00 0.30 0.14 0.00 -1.23 0.00 0.00 61.79 61.00 1ygw h SER 17 Cb 0.00 0.71 -0.13 0.00 -0.44 0.00 0.00 62.40 62.55 1ygw h SER 17 CO 0.00 -0.29 -0.11 0.74 -0.53 0.00 0.00 176.83 176.63 1ygw h THR 18 N -0.02 0.35 -0.50 2.23 2.02 -1.67 1.37 112.91 116.68 1ygw h THR 18 Ca 0.35 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 1ygw h THR 18 Cb 0.61 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1ygw h THR 18 CO -0.95 0.01 0.28 0.00 0.37 0.00 0.00 175.52 175.22 1ygw h ALA 19 N 1.67 0.64 0.70 6.16 0.00 0.58 -3.05 119.26 125.96 1ygw h ALA 19 Ca 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1ygw h ALA 19 Cb 0.54 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ygw h ALA 19 CO -0.67 0.16 -0.34 1.96 0.00 0.00 0.00 179.25 180.37 1ygw h GLN 20 N 0.67 -0.91 -0.60 0.00 4.20 0.23 -2.29 115.11 116.41 1ygw h GLN 20 Ca 0.18 0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.19 1ygw h GLN 20 Cb 0.05 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 27.92 1ygw h GLN 20 CO -0.03 -0.58 0.27 0.00 -0.67 0.00 0.00 178.83 177.82 1ygw n ALA 21 N -2.56 0.57 0.13 3.87 0.00 0.43 0.25 120.51 123.20 1ygw n ALA 21 Ca -0.13 0.62 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1ygw n ALA 21 Cb 0.39 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 1.20 -0.39 -0.80 0.00 0.00 -1.39 -0.08 119.26 117.80 1ygw h ALA 22 Ca 0.49 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.34 1ygw h ALA 22 Cb 1.25 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1ygw h ALA 22 CO -0.48 -0.43 0.41 0.78 0.00 0.00 0.00 179.25 179.53 1ygw h GLY 23 N -0.97 1.26 0.06 0.00 0.00 0.38 0.34 103.07 104.14 1ygw h GLY 23 Ca -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ygw h GLY 23 CO 0.07 0.02 -0.03 -1.82 0.00 0.00 0.00 176.54 174.77 1ygw h TYR 24 N 0.64 -0.07 -0.79 5.60 3.20 0.14 0.49 116.97 126.17 1ygw h TYR 24 Ca 0.42 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.41 1ygw h TYR 24 Cb 0.52 0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.67 1ygw h TYR 24 CO -0.10 -0.04 -0.37 -0.22 -1.64 0.00 0.00 178.16 175.79 1ygw h LYS 25 N -0.11 -0.08 -0.30 1.82 3.11 -0.93 2.07 116.57 122.16 1ygw h LYS 25 Ca -0.01 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1ygw h LYS 25 Cb 0.06 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 1ygw h LYS 25 CO 0.01 -0.06 0.12 1.25 -2.81 0.00 0.00 179.45 177.97 1ygw h LEU 26 N -0.09 0.37 0.04 5.20 5.85 -0.40 -1.33 115.31 124.96 1ygw h LEU 26 Ca 0.28 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1ygw h LEU 26 Cb 0.57 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ygw h LEU 26 CO -0.83 0.34 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.85 1ygw h HIS 27 N 0.42 -0.05 -0.18 1.25 2.76 0.76 -1.00 115.15 119.11 1ygw h HIS 27 Ca 0.11 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1ygw h HIS 27 Cb 0.09 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1ygw h HIS 27 CO 0.00 0.38 0.20 0.93 -1.30 0.00 0.00 177.93 178.14 1ygw h GLU 28 N -0.50 0.00 0.00 5.26 5.08 0.29 0.74 114.58 125.45 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 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ygw h GLU 28 CO 0.01 0.00 -0.54 -0.44 -1.00 0.00 0.00 179.01 177.04 1ygw h ASP 29 N 0.00 0.00 -0.59 1.42 5.19 -0.98 -3.47 116.42 117.98 1ygw h ASP 29 Ca 0.08 -0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.34 1ygw h ASP 29 Cb 0.49 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.96 1ygw h ASP 29 CO -0.00 0.00 -0.15 0.61 -3.12 0.00 0.00 179.24 176.58 1ygw n GLY 30 N 1.15 0.61 4.02 2.75 0.00 0.26 -5.02 105.19 108.96 1ygw n GLY 30 Ca 0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.26 2.39 0.44 1.61 0.41 -0.58 -5.03 118.70 114.68 1ygw s GLU 31 Ca 0.00 -1.39 0.04 0.00 -0.41 0.00 0.00 54.97 53.20 1ygw s GLU 31 Cb 0.00 -2.63 -0.02 0.00 -1.78 0.00 0.00 34.13 29.71 1ygw s GLU 31 CO 0.00 -0.76 0.12 0.95 -0.49 0.00 0.00 175.26 175.09 1ygw s THR 32 N -2.64 0.60 -0.04 3.63 -4.23 -1.26 -4.25 115.64 107.45 1ygw s THR 32 Ca 0.60 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1ygw s THR 32 Cb -0.07 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.54 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 -3.13 0.35 0.00 2.29 -7.23 -0.17 -4.94 120.40 107.56 1ygw s VAL 33 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1ygw s VAL 33 Cb 0.01 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1ygw s VAL 33 CO 0.13 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1ygw n GLY 34 N 4.20 0.09 0.02 2.32 0.00 -1.26 -3.23 105.19 107.33 1ygw n GLY 34 Ca -0.24 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 1.96 0.58 -2.62 1.61 3.41 -1.26 -4.77 113.62 112.53 1ygw n SER 35 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1ygw n SER 35 Cb 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.93 -0.20 -2.34 4.04 4.13 -1.25 -5.01 115.26 112.71 1ygw n ASN 36 Ca 0.01 -0.46 -0.18 0.00 1.68 0.00 0.00 54.58 55.63 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 -1.67 3.88 -4.87 6.41 3.41 -1.26 -4.54 113.62 114.98 1ygw n SER 37 Ca 0.00 -3.29 -0.35 0.00 -0.26 0.00 0.00 58.87 54.97 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 -3.59 3.59 0.40 7.33 1.51 -1.26 -3.90 117.35 121.44 1ygw s TYR 38 Ca 0.43 0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 57.13 1ygw s TYR 38 Cb 0.39 -2.09 0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1ygw s TYR 38 CO -0.02 0.57 0.44 -0.35 -1.11 0.00 0.00 175.55 175.08 1ygw n PRO 39 N 1.05 -1.13 0.00 -1.71 -0.04 -1.26 -1.00 135.00 130.90 1ygw n PRO 39 Ca -0.10 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1ygw n PRO 39 Cb 0.53 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.02 0.00 -0.99 0.54 1.44 -1.14 -4.94 115.22 107.11 1ygw n HIS 40 Ca 0.06 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.41 1ygw n HIS 40 Cb 0.21 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.37 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 -0.01 0.00 -1.40 4.81 -1.26 -0.38 118.16 119.87 1ygw n LYS 41 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ygw n LYS 41 Cb 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ygw n TYR 42 N -2.56 0.00 0.00 5.64 4.19 0.58 -4.30 117.16 120.71 1ygw n TYR 42 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1ygw n TYR 42 Cb 0.56 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.39 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 -0.41 0.00 0.00 2.98 5.03 -0.95 -4.77 115.26 117.14 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 4.89 0.00 0.00 6.41 6.94 -1.26 -4.75 115.26 127.49 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 -1.31 0.00 0.28 -2.53 4.02 -1.26 -4.94 117.16 111.42 1ygw n TYR 45 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1ygw n TYR 45 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 39.61 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 3.07 -1.98 -3.41 114.58 111.54 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 -1.34 0.67 3.77 -3.84 0.00 -1.26 -5.09 105.19 98.09 1ygw n GLY 47 Ca -0.01 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.58 3.46 -1.23 1.61 0.08 -1.26 -4.99 117.98 115.07 1ygw s PHE 48 Ca 0.00 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.41 1ygw s PHE 48 Cb 0.00 -2.12 0.19 0.00 -0.57 0.00 0.00 43.02 40.52 1ygw s PHE 48 CO 0.00 0.40 2.13 -0.25 -0.10 0.00 0.00 175.22 177.40 1ygw n ASP 49 N 3.14 7.45 -4.55 1.36 8.00 -1.26 -4.91 116.55 125.77 1ygw n ASP 49 Ca -0.17 -3.30 -0.38 0.00 0.71 0.00 0.00 54.79 51.66 1ygw n ASP 49 Cb 0.53 -1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 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 -1.91 1.38 -0.79 1.24 0.08 -1.26 -4.78 117.98 111.95 1ygw s PHE 50 Ca 0.47 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1ygw s PHE 50 Cb 0.17 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1ygw s PHE 50 CO -0.08 -2.46 0.37 -1.13 -0.10 0.00 0.00 175.22 171.82 1ygw n SER 51 N 14.13 0.87 -4.45 1.36 3.41 -1.26 -4.69 113.62 123.00 1ygw n SER 51 Ca 0.28 -1.22 -0.22 0.00 -0.26 0.00 0.00 58.87 57.44 1ygw n SER 51 Cb 0.53 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.71 2.09 0.85 -3.33 -7.23 -1.26 -5.11 120.40 105.70 1ygw s VAL 52 Ca 0.00 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 57.80 1ygw s VAL 52 Cb 0.00 -2.33 0.15 0.00 0.56 0.00 0.00 36.38 34.75 1ygw s VAL 52 CO 0.00 -0.39 1.18 -0.44 -0.31 0.00 0.00 175.10 175.14 1ygw s SER 53 N -3.47 3.82 0.46 4.85 0.01 -1.26 -5.05 113.70 113.05 1ygw s SER 53 Ca 0.29 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.83 1ygw s SER 53 Cb -0.01 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.77 1ygw s SER 53 CO 0.13 -2.26 0.55 -0.94 0.41 0.00 0.00 173.24 171.12 1ygw s SER 54 N -4.76 5.30 0.67 2.44 1.04 -1.26 -4.48 113.70 112.66 1ygw s SER 54 Ca 0.69 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 56.34 1ygw s SER 54 Cb -0.06 -0.37 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 1ygw s SER 54 CO 0.49 -0.87 1.06 -2.16 0.98 0.00 0.00 173.24 172.74 1ygw s PRO 55 N -4.34 3.04 -0.24 4.02 0.04 -1.26 -4.80 135.00 131.46 1ygw s PRO 55 Ca 0.53 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1ygw s PRO 55 Cb -0.07 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1ygw s PRO 55 CO 0.32 -1.02 0.30 0.71 0.04 0.00 0.00 177.00 177.35 1ygw s TYR 56 N -2.93 3.31 -0.13 0.56 2.02 -1.24 -3.82 117.35 115.12 1ygw s TYR 56 Ca 0.59 0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 57.63 1ygw s TYR 56 Cb -0.14 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1ygw s TYR 56 CO 0.51 -0.07 0.07 0.71 -1.57 0.00 0.00 175.55 175.21 1ygw s TYR 57 N 1.50 3.35 -0.10 2.71 2.02 3.75 0.22 117.35 130.80 1ygw s TYR 57 Ca 0.13 0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 57.06 1ygw s TYR 57 Cb -0.15 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1ygw s TYR 57 CO 0.08 0.47 0.10 -1.83 -1.57 0.00 0.00 175.55 172.80 1ygw s GLU 58 N -0.53 3.31 -0.06 -0.62 -1.05 0.49 0.37 118.70 120.60 1ygw s GLU 58 Ca 0.11 -0.23 -0.23 0.00 -0.15 0.00 0.00 54.97 54.46 1ygw s GLU 58 Cb -0.12 -3.07 0.05 0.00 -0.44 0.00 0.00 34.13 30.55 1ygw s GLU 58 CO 0.02 0.75 0.53 -0.46 0.95 0.00 0.00 175.26 177.05 1ygw s TRP 59 N -1.02 -0.48 0.50 4.83 -0.11 0.25 -2.89 118.94 120.03 1ygw s TRP 59 Ca 0.16 0.88 -0.20 0.00 1.22 0.00 0.00 56.10 58.16 1ygw s TRP 59 Cb -0.12 0.27 -0.08 0.00 -1.50 0.00 0.00 33.47 32.04 1ygw s TRP 59 CO 0.05 -0.48 1.04 -1.25 -4.62 0.00 0.00 176.95 171.68 1ygw s PRO 60 N -1.00 3.75 -0.12 5.86 0.04 -1.26 0.70 135.00 142.97 1ygw s PRO 60 Ca -0.10 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1ygw s PRO 60 Cb -0.02 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ygw s PRO 60 CO 0.06 -0.47 -0.14 -1.50 0.04 0.00 0.00 177.00 174.99 1ygw s ILE 61 N -2.06 2.97 -0.24 0.56 2.07 -1.10 -4.50 121.20 118.89 1ygw s ILE 61 Ca 0.66 -0.70 -0.14 0.00 -1.41 0.00 0.00 60.65 59.06 1ygw s ILE 61 Cb -0.16 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.16 1ygw s ILE 61 CO 0.22 0.54 0.32 -0.76 -1.91 0.00 0.00 174.94 173.35 1ygw s LEU 62 N 0.20 4.09 0.00 8.50 1.43 -1.26 -4.76 118.68 126.87 1ygw s LEU 62 Ca -0.09 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1ygw s LEU 62 Cb -0.15 -2.36 0.21 0.00 0.03 0.00 0.00 46.19 43.92 1ygw s LEU 62 CO 0.05 -0.09 0.63 -0.24 0.23 0.00 0.00 176.35 176.93 1ygw n SER 63 N 4.85 0.00 -0.07 2.29 2.88 -1.26 -0.62 113.62 121.70 1ygw n SER 63 Ca -0.10 -0.72 0.05 0.00 -1.33 0.00 0.00 58.87 56.77 1ygw n SER 63 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.63 0.72 -0.82 -3.46 7.64 -1.26 -5.00 113.62 110.81 1ygw n SER 64 Ca 0.03 -0.86 -0.03 0.00 1.01 0.00 0.00 58.87 59.02 1ygw n SER 64 Cb 0.01 0.87 0.01 0.00 -1.01 0.00 0.00 64.21 64.09 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 1.18 0.78 0.00 0.23 0.00 0.21 -5.06 105.19 102.53 1ygw n GLY 65 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.02 1.93 -4.16 1.61 9.92 -1.26 -5.00 116.55 120.62 1ygw n ASP 66 Ca 0.00 -0.24 -0.33 0.00 -0.53 0.00 0.00 54.79 53.69 1ygw n ASP 66 Cb 0.51 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.83 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 0.47 2.17 -0.33 2.53 1.01 -1.26 -4.44 120.40 120.55 1ygw s VAL 67 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1ygw s VAL 67 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1ygw s VAL 67 CO 0.00 0.54 1.31 -0.31 0.00 0.00 0.00 175.10 176.63 1ygw s TYR 68 N 1.09 2.65 -0.41 5.22 2.02 -1.26 -4.90 117.35 121.77 1ygw s TYR 68 Ca 0.00 0.84 0.11 0.00 -0.37 0.00 0.00 57.07 57.65 1ygw s TYR 68 Cb -0.14 -4.00 0.37 0.00 -0.40 0.00 0.00 41.96 37.79 1ygw s TYR 68 CO -0.08 -1.71 0.83 -1.13 -1.57 0.00 0.00 175.55 171.90 1ygw n SER 69 N 7.83 1.86 0.00 2.29 3.41 -1.26 -4.76 113.62 122.99 1ygw n SER 69 Ca 0.15 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 1ygw n SER 69 Cb 0.47 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.08 0.94 4.07 5.00 0.00 -1.26 -4.25 105.19 109.78 1ygw n GLY 70 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.02 2.74 2.97 -0.02 0.00 -1.20 -4.18 105.19 105.52 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 1.44 0.00 0.00 0.00 173.32 174.76 1ygw n SER 72 N 0.00 3.84 0.02 1.61 7.64 -1.26 -4.64 113.62 120.84 1ygw n SER 72 Ca 0.00 -3.20 -0.10 0.00 1.01 0.00 0.00 58.87 56.58 1ygw n SER 72 Cb 0.00 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 62.21 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ygw h PRO 73 N 5.57 -0.15 0.00 1.43 0.13 -1.94 -3.50 132.00 133.53 1ygw h PRO 73 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ygw h PRO 73 Cb 0.77 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ygw h PRO 73 CO 0.83 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 1ygw n GLY 74 N 0.92 0.48 0.30 1.56 0.00 -1.26 -4.88 105.19 102.30 1ygw n GLY 74 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.21 -1.78 4.61 0.00 -1.26 -4.84 120.51 118.64 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 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -3.89 6.41 -0.13 0.00 1.01 -1.26 -2.63 116.67 116.18 1ygw s ASP 76 Ca 0.00 2.89 -0.16 0.00 0.71 0.00 0.00 52.55 56.00 1ygw s ASP 76 Cb 0.00 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.34 1ygw s ASP 76 CO 0.00 -0.90 0.42 -0.13 0.21 0.00 0.00 175.17 174.77 1ygw s ARG 77 N -0.11 0.56 -0.18 8.23 1.81 -0.28 -2.72 118.95 126.26 1ygw s ARG 77 Ca 0.65 0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 55.07 1ygw s ARG 77 Cb -0.47 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 1ygw s ARG 77 CO 0.44 -0.10 -0.03 0.54 -0.68 0.00 0.00 175.30 175.47 1ygw s VAL 78 N -0.11 3.77 -0.12 3.52 0.11 3.36 -0.76 120.40 130.16 1ygw s VAL 78 Ca -0.03 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1ygw s VAL 78 Cb -0.03 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 1ygw s VAL 78 CO 0.02 0.46 0.07 -0.69 -3.33 0.00 0.00 175.10 171.62 1ygw s VAL 79 N 0.81 4.87 0.00 2.04 1.01 -1.25 0.88 120.40 128.76 1ygw s VAL 79 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1ygw s VAL 79 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1ygw s VAL 79 CO 0.02 0.57 0.00 2.22 0.00 0.00 0.00 175.10 177.91 1ygw n PHE 80 N 2.44 0.00 -3.84 5.22 -1.74 1.20 1.08 117.46 121.81 1ygw n PHE 80 Ca -0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.70 1ygw n PHE 80 Cb 0.54 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.54 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 0.19 -0.94 5.98 3.02 0.33 0.74 115.26 124.59 1ygw n ASN 81 Ca 0.00 -0.84 0.05 0.00 -0.03 0.00 0.00 54.58 53.75 1ygw n ASN 81 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 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 2.40 -0.02 3.52 2.13 -1.25 -3.42 120.64 123.99 1ygw n GLU 82 Ca 0.00 -1.42 0.04 0.00 0.66 0.00 0.00 57.16 56.44 1ygw n GLU 82 Cb 0.00 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.00 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 0.42 1.48 0.00 4.31 6.94 -1.26 -4.98 115.26 122.17 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 0.52 1.48 0.00 0.00 -2.36 0.00 0.00 39.78 39.42 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 -2.17 0.00 -4.54 0.53 2.04 -1.22 -5.10 115.26 104.80 1ygw n ASN 84 Ca -0.08 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.72 1ygw n ASN 84 Cb 0.55 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.68 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 -0.09 3.50 0.01 -3.83 -0.21 -1.26 -4.94 119.66 112.84 1ygw s GLN 85 Ca 0.00 -0.50 -0.20 0.00 0.02 0.00 0.00 55.36 54.68 1ygw s GLN 85 Cb 0.00 -2.88 -0.06 0.00 1.00 0.00 0.00 33.01 31.07 1ygw s GLN 85 CO 0.00 0.35 0.57 -1.17 -2.12 0.00 0.00 175.29 172.93 1ygw s LEU 86 N 0.06 4.44 0.09 2.90 0.20 -1.26 -0.51 118.68 124.61 1ygw s LEU 86 Ca 0.00 1.16 -0.17 0.00 0.69 0.00 0.00 54.13 55.82 1ygw s LEU 86 Cb -0.13 -2.89 -0.08 0.00 -0.43 0.00 0.00 46.19 42.66 1ygw s LEU 86 CO 0.03 0.15 1.46 0.00 -0.29 0.00 0.00 176.35 177.70 1ygw h ALA 87 N 5.35 0.39 0.00 5.97 0.00 6.13 -3.45 119.26 133.65 1ygw h ALA 87 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1ygw h ALA 87 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ygw h ALA 87 CO 0.68 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1ygw n GLY 88 N -0.05 -0.66 2.84 0.00 0.00 -1.16 -4.36 105.19 101.80 1ygw n GLY 88 Ca -0.04 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.17 -0.46 0.71 1.61 1.01 -1.26 -3.88 120.40 116.96 1ygw s VAL 89 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ygw s VAL 89 Cb 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.76 1ygw s VAL 89 CO 0.00 -0.46 1.02 0.27 0.00 0.00 0.00 175.10 175.93 1ygw s ILE 90 N 1.78 2.27 -0.10 2.22 -4.36 0.06 0.56 121.20 123.63 1ygw s ILE 90 Ca 0.15 -0.30 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 1ygw s ILE 90 Cb -0.13 -2.97 0.10 0.00 1.25 0.00 0.00 42.46 40.71 1ygw s ILE 90 CO -0.12 0.00 0.86 0.28 0.24 0.00 0.00 174.94 176.20 1ygw s THR 91 N -3.25 0.00 -1.71 8.37 -1.32 0.11 -1.12 115.64 116.72 1ygw s THR 91 Ca 0.61 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 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 0.45 0.00 0.83 1.41 -2.21 0.00 0.00 174.62 175.10 1ygw n HIS 92 N 0.68 0.00 -1.37 9.09 8.25 -1.08 -2.69 115.22 128.10 1ygw n HIS 92 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 1ygw n HIS 92 Cb 0.58 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.35 0.00 -2.85 1.59 -1.04 -1.26 -2.82 114.28 107.55 1ygw n THR 93 Ca 0.00 -0.39 -0.17 0.00 -2.04 0.00 0.00 64.05 61.45 1ygw n THR 93 Cb 0.07 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.73 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 5.58 -0.30 0.39 3.41 0.00 -1.26 -4.66 105.19 108.34 1ygw n GLY 94 Ca 0.37 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.59 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 1.26 2.03 0.00 4.61 0.00 -1.75 -3.43 119.26 121.98 1ygw h ALA 95 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ygw h ALA 95 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ygw h ALA 95 CO 0.35 -0.35 0.00 0.45 0.00 0.00 0.00 179.25 179.70 1ygw n SER 96 N -4.60 0.00 0.00 0.00 2.88 -1.26 -4.92 113.62 105.71 1ygw n SER 96 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ygw n SER 96 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.47 0.02 0.46 0.00 -1.26 -4.47 105.19 100.42 1ygw n GLY 97 Ca 0.00 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.94 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 0.81 -4.73 1.61 4.05 -1.26 -4.94 115.26 110.80 1ygw n ASN 98 Ca 0.00 -0.68 -0.36 0.00 0.45 0.00 0.00 54.58 53.99 1ygw n ASN 98 Cb 0.00 0.62 0.07 0.00 1.23 0.00 0.00 39.78 41.70 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 -2.97 4.55 0.44 1.20 6.03 -1.26 -5.01 114.94 117.93 1ygw s ASN 99 Ca 0.10 2.56 0.08 0.00 -1.03 0.00 0.00 52.86 54.56 1ygw s ASN 99 Cb 0.17 -2.61 0.00 0.00 -3.03 0.00 0.00 41.25 35.78 1ygw s ASN 99 CO 0.77 -2.04 0.45 -0.36 -2.03 0.00 0.00 177.10 173.90 1ygw s PHE 100 N -1.53 2.50 -0.28 1.54 0.08 -1.26 -4.50 117.98 114.53 1ygw s PHE 100 Ca 0.81 -0.53 -0.18 0.00 0.12 0.00 0.00 56.93 57.14 1ygw s PHE 100 Cb -0.35 -2.19 0.10 0.00 -0.57 0.00 0.00 43.02 40.01 1ygw s PHE 100 CO 0.40 -0.30 0.81 0.14 -0.10 0.00 0.00 175.22 176.17 1ygw s VAL 101 N -2.50 0.00 0.12 -0.44 -7.23 -1.09 -4.88 120.40 104.38 1ygw s VAL 101 Ca 0.49 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.34 1ygw s VAL 101 Cb -0.04 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.78 1ygw s VAL 101 CO 0.29 0.00 1.81 -1.84 -0.31 0.00 0.00 175.10 175.05 1ygw n GLU 102 N 3.70 2.71 0.00 4.82 0.28 -1.26 0.08 120.64 130.97 1ygw n GLU 102 Ca -0.18 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 57.81 1ygw n GLU 102 Cb 0.58 -2.86 0.00 0.00 1.43 0.00 0.00 31.44 30.58 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97