#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygw h ASP 3 N 3.44 0.00 -3.13 0.00 5.19 -1.91 -3.22 116.42 116.79 1ygw h ASP 3 Ca 0.25 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.19 1ygw h ASP 3 Cb 0.46 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.56 1ygw h ASP 3 CO 0.94 0.00 -0.75 -0.31 -3.12 0.00 0.00 179.24 175.99 1ygw s TYR 4 N -4.64 0.42 -0.29 4.55 2.02 -1.26 -4.71 117.35 113.44 1ygw s TYR 4 Ca -0.04 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1ygw s TYR 4 Cb 0.20 -0.77 0.08 0.00 -0.40 0.00 0.00 41.96 41.07 1ygw s TYR 4 CO 0.67 -0.51 -0.04 0.99 -1.57 0.00 0.00 175.55 175.08 1ygw s THR 5 N 2.06 2.16 -1.57 -0.71 2.01 0.46 -0.15 115.64 119.90 1ygw s THR 5 Ca 0.01 -1.89 -0.10 0.00 0.31 0.00 0.00 61.69 60.02 1ygw s THR 5 Cb -0.16 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1ygw s THR 5 CO -0.08 -0.27 2.79 0.00 -0.69 0.00 0.00 174.62 176.37 1ygw n GLY 7 N 3.51 1.70 2.70 0.00 0.00 -1.26 -4.22 105.19 107.62 1ygw n GLY 7 Ca 0.73 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 2.38 -1.00 -1.38 1.61 3.41 -1.26 -5.13 113.62 112.26 1ygw n SER 8 Ca 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1ygw n SER 8 Cb 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.73 1.52 -2.69 4.04 3.02 -1.26 -5.11 115.26 114.05 1ygw n ASN 9 Ca -0.04 -0.78 -0.04 0.00 -0.03 0.00 0.00 54.58 53.69 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 2.20 1.32 -0.50 0.00 4.01 0.78 -4.86 117.16 120.12 1ygw n TYR 11 Ca 0.09 -1.86 -0.16 0.00 -0.16 0.00 0.00 57.90 55.81 1ygw n TYR 11 Cb 0.65 -1.39 0.01 0.00 -0.31 0.00 0.00 39.34 38.29 1ygw n TYR 11 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ygw n SER 12 N 1.12 -1.75 0.02 7.72 3.41 -1.26 -2.66 113.62 120.22 1ygw n SER 12 Ca 0.47 0.23 0.15 0.00 -0.26 0.00 0.00 58.87 59.46 1ygw n SER 12 Cb 0.61 -0.35 0.23 0.00 -0.26 0.00 0.00 64.21 64.44 1ygw n SER 12 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ygw n SER 13 N 1.14 0.00 0.11 4.04 3.41 -1.26 0.64 113.62 121.69 1ygw n SER 13 Ca 0.02 0.61 0.01 0.00 -0.26 0.00 0.00 58.87 59.25 1ygw n SER 13 Cb 0.21 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.41 4.04 0.87 -1.97 -2.99 113.55 114.91 1ygw h SER 14 Ca 0.26 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1ygw h SER 14 Cb 2.39 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.35 1ygw h SER 14 CO -0.00 0.56 -0.60 0.44 -0.53 0.00 0.00 176.83 176.70 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.92 -3.28 116.42 126.48 1ygw h ASP 15 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1ygw h ASP 15 Cb 1.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.97 1ygw h ASP 15 CO 0.07 0.08 0.00 0.52 -3.12 0.00 0.00 179.24 176.79 1ygw n VAL 16 N -2.90 0.00 -0.28 -1.35 0.31 -0.35 -3.08 118.33 110.67 1ygw n VAL 16 Ca 0.01 0.74 0.18 0.00 -0.01 0.00 0.00 64.34 65.25 1ygw n VAL 16 Cb 0.58 -1.71 0.33 0.00 -0.91 0.00 0.00 33.84 32.13 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 -1.94 0.04 -0.00 4.52 2.88 -1.13 0.15 113.62 118.14 1ygw n SER 17 Ca 0.00 1.40 -0.10 0.00 -1.33 0.00 0.00 58.87 58.84 1ygw n SER 17 Cb 0.00 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 1ygw n SER 17 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ygw h THR 18 N 0.00 0.34 -0.66 2.46 2.02 -1.65 1.02 112.91 116.43 1ygw h THR 18 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.76 1ygw h THR 18 Cb 1.34 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1ygw h THR 18 CO -0.73 0.00 0.42 0.00 0.37 0.00 0.00 175.52 175.58 1ygw h ALA 19 N 0.53 0.84 0.68 6.16 0.00 0.15 -2.96 119.26 124.68 1ygw h ALA 19 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ygw h ALA 19 Cb 0.51 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ygw h ALA 19 CO -0.34 0.30 -0.40 1.96 0.00 0.00 0.00 179.25 180.76 1ygw h GLN 20 N 0.90 -0.98 -0.73 0.00 4.20 0.28 -1.14 115.11 117.64 1ygw h GLN 20 Ca 0.24 0.07 0.27 0.00 0.06 0.00 0.00 58.65 59.29 1ygw h GLN 20 Cb -0.06 0.22 -0.09 0.00 0.30 0.00 0.00 27.48 27.85 1ygw h GLN 20 CO -0.05 -0.65 0.45 0.00 -0.67 0.00 0.00 178.83 177.90 1ygw n ALA 21 N -2.62 0.74 -0.06 3.87 0.00 0.34 0.27 120.51 123.05 1ygw n ALA 21 Ca -0.14 0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1ygw n ALA 21 Cb 0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 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 1.06 -0.01 -0.66 0.00 0.00 -1.36 -1.48 119.26 116.81 1ygw h ALA 22 Ca 0.52 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ygw h ALA 22 Cb 1.56 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1ygw h ALA 22 CO -0.35 -0.01 0.38 0.78 0.00 0.00 0.00 179.25 180.05 1ygw h GLY 23 N -0.99 0.96 0.25 0.00 0.00 0.50 0.31 103.07 104.08 1ygw h GLY 23 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ygw h GLY 23 CO 0.00 0.20 -0.12 -1.82 0.00 0.00 0.00 176.54 174.80 1ygw h TYR 24 N 0.73 -0.31 -0.64 5.60 3.20 0.33 0.32 116.97 126.19 1ygw h TYR 24 Ca 0.28 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.26 1ygw h TYR 24 Cb 0.12 0.10 -0.12 0.00 1.54 0.00 0.00 36.73 38.37 1ygw h TYR 24 CO -0.07 -0.19 -0.33 -0.22 -1.64 0.00 0.00 178.16 175.71 1ygw h LYS 25 N -0.53 -0.13 -0.32 1.82 1.63 -1.27 1.66 116.57 119.44 1ygw h LYS 25 Ca -0.03 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1ygw h LYS 25 Cb 0.26 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1ygw h LYS 25 CO 0.06 -0.09 0.12 1.25 -3.45 0.00 0.00 179.45 177.34 1ygw h LEU 26 N -0.13 0.39 -0.02 5.20 5.85 -0.47 -0.90 115.31 125.23 1ygw h LEU 26 Ca 0.25 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1ygw h LEU 26 Cb 0.55 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ygw h LEU 26 CO -0.71 0.37 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.01 1ygw h HIS 27 N 0.44 0.03 0.00 1.25 2.76 0.52 -0.77 115.15 119.39 1ygw h HIS 27 Ca 0.11 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1ygw h HIS 27 Cb 0.10 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1ygw h HIS 27 CO 0.00 0.41 -0.01 1.05 -1.30 0.00 0.00 177.93 178.08 1ygw h GLU 28 N -0.35 0.00 0.00 5.26 4.11 0.24 0.27 114.58 124.12 1ygw h GLU 28 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1ygw h GLU 28 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ygw h GLU 28 CO 0.00 0.01 -0.64 -0.44 0.07 0.00 0.00 179.01 178.00 1ygw h ASP 29 N 0.00 0.00 -0.28 3.06 5.19 -0.81 -3.48 116.42 120.10 1ygw h ASP 29 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1ygw h ASP 29 Cb 0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1ygw h ASP 29 CO 0.00 0.21 -0.09 0.61 -3.12 0.00 0.00 179.24 176.85 1ygw n GLY 30 N 1.20 0.65 4.01 2.75 0.00 0.95 -5.03 105.19 109.73 1ygw n GLY 30 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.65 2.37 0.42 1.61 0.41 -0.73 -5.03 118.70 115.10 1ygw s GLU 31 Ca 0.00 -1.35 0.04 0.00 -0.41 0.00 0.00 54.97 53.25 1ygw s GLU 31 Cb 0.00 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.72 1ygw s GLU 31 CO 0.00 -0.78 0.12 0.95 -0.49 0.00 0.00 175.26 175.06 1ygw s THR 32 N -2.67 0.64 -0.04 3.63 -4.23 -1.26 -4.21 115.64 107.51 1ygw s THR 32 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1ygw s THR 32 Cb -0.07 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1ygw s THR 32 CO 0.38 0.00 -0.01 0.68 -0.54 0.00 0.00 174.62 175.13 1ygw s VAL 33 N -3.18 0.32 0.00 2.29 -7.23 -0.43 -4.95 120.40 107.21 1ygw s VAL 33 Ca 0.23 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1ygw s VAL 33 Cb 0.02 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1ygw s VAL 33 CO 0.14 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1ygw n GLY 34 N 4.29 -0.57 1.57 2.32 0.00 -1.23 -3.54 105.19 108.03 1ygw n GLY 34 Ca -0.22 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 0.50 4.66 -1.50 1.61 7.64 -1.26 -4.72 113.62 120.54 1ygw n SER 35 Ca 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1ygw n SER 35 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.65 0.81 -1.90 6.43 4.13 -1.24 -4.99 115.26 119.15 1ygw n ASN 36 Ca 0.23 -0.75 -0.16 0.00 1.68 0.00 0.00 54.58 55.57 1ygw n ASN 36 Cb 0.95 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.24 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 -1.64 3.97 -4.87 6.41 3.41 -1.26 -4.49 113.62 115.14 1ygw n SER 37 Ca 0.00 -3.53 -0.35 0.00 -0.26 0.00 0.00 58.87 54.73 1ygw n SER 37 Cb 0.00 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 1ygw n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ygw s TYR 38 N -3.49 3.59 0.50 7.33 1.51 -1.26 -3.89 117.35 121.65 1ygw s TYR 38 Ca 0.46 0.77 -0.08 0.00 -1.01 0.00 0.00 57.07 57.20 1ygw s TYR 38 Cb 0.39 -2.14 0.12 0.00 -0.11 0.00 0.00 41.96 40.22 1ygw s TYR 38 CO 0.01 0.55 0.55 -0.35 -1.11 0.00 0.00 175.55 175.20 1ygw n PRO 39 N 1.02 -1.27 0.00 -1.71 -0.04 -1.26 -1.32 135.00 130.43 1ygw n PRO 39 Ca -0.09 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1ygw n PRO 39 Cb 0.52 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 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 -3.20 0.00 -0.88 0.54 1.44 -1.15 -4.95 115.22 107.03 1ygw n HIS 40 Ca 0.07 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.43 1ygw n HIS 40 Cb 0.26 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.29 -0.45 -0.10 -1.40 3.00 -1.26 0.25 118.16 117.91 1ygw n LYS 41 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1ygw n LYS 41 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 33.71 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 -3.50 0.00 0.00 5.64 4.19 -0.25 -4.14 117.16 119.10 1ygw n TYR 42 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ygw n TYR 42 Cb 0.64 0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.55 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 -4.14 2.98 3.02 -1.26 -4.70 115.26 111.16 1ygw n ASN 43 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1ygw n ASN 43 Cb 0.52 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.91 1ygw n ASN 43 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ygw n ASN 44 N 0.00 -2.52 0.00 6.41 6.94 -1.26 -4.90 115.26 119.93 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 -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 -4.85 -0.04 0.29 -2.53 4.01 -1.26 -4.93 117.16 107.85 1ygw n TYR 45 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.83 1ygw n TYR 45 Cb 0.56 0.01 0.22 0.00 -0.31 0.00 0.00 39.34 39.82 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 4.39 -1.96 -3.41 114.58 112.88 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 -1.46 0.61 3.67 -3.84 0.00 -1.26 -5.13 105.19 97.79 1ygw n GLY 47 Ca 0.01 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 3.30 -1.09 1.61 0.08 -1.26 -5.01 117.98 115.04 1ygw s PHE 48 Ca 0.00 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 1ygw s PHE 48 Cb 0.00 -2.09 0.28 0.00 -0.57 0.00 0.00 43.02 40.65 1ygw s PHE 48 CO 0.00 0.22 1.94 -0.25 -0.10 0.00 0.00 175.22 177.03 1ygw n ASP 49 N 3.43 7.50 -4.62 1.36 8.00 -1.26 -4.94 116.55 126.03 1ygw n ASP 49 Ca -0.17 -3.59 -0.45 0.00 0.71 0.00 0.00 54.79 51.30 1ygw n ASP 49 Cb 0.52 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.38 1ygw n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ygw n PHE 50 N 0.28 2.17 0.14 1.24 3.72 -1.26 -4.77 117.46 118.98 1ygw n PHE 50 Ca 0.50 -0.13 0.01 0.00 -0.05 0.00 0.00 57.45 57.78 1ygw n PHE 50 Cb 0.26 -2.71 0.06 0.00 -0.94 0.00 0.00 39.48 36.14 1ygw n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ygw n SER 51 N 9.08 0.00 -4.54 4.37 3.41 -1.26 -4.51 113.62 120.16 1ygw n SER 51 Ca 0.27 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 1ygw n SER 51 Cb 0.37 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1ygw n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ygw s VAL 52 N -2.00 3.15 0.62 -3.33 -7.23 -1.26 -5.10 120.40 105.26 1ygw s VAL 52 Ca 0.03 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1ygw s VAL 52 Cb 0.01 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.53 1ygw s VAL 52 CO 0.02 0.11 0.90 -0.55 -0.31 0.00 0.00 175.10 175.27 1ygw s SER 53 N -2.17 5.16 0.81 4.85 0.15 -1.26 -5.03 113.70 116.21 1ygw s SER 53 Ca 0.20 0.36 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 1ygw s SER 53 Cb -0.11 -1.18 0.08 0.00 -1.71 0.00 0.00 66.02 63.10 1ygw s SER 53 CO 0.12 -1.30 1.09 -0.94 1.20 0.00 0.00 173.24 173.41 1ygw s SER 54 N -4.43 4.28 0.98 5.45 1.04 -1.26 -4.59 113.70 115.17 1ygw s SER 54 Ca 0.57 1.50 -0.14 0.00 0.48 0.00 0.00 55.95 58.36 1ygw s SER 54 Cb -0.11 -2.23 0.18 0.00 0.10 0.00 0.00 66.02 63.96 1ygw s SER 54 CO 0.42 -2.13 1.17 -2.16 0.98 0.00 0.00 173.24 171.52 1ygw s PRO 55 N -5.02 0.60 -0.15 4.02 0.04 -1.26 -4.90 135.00 128.33 1ygw s PRO 55 Ca 0.61 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1ygw s PRO 55 Cb -0.16 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1ygw s PRO 55 CO 0.56 -2.53 -0.19 0.71 0.04 0.00 0.00 177.00 175.59 1ygw s TYR 56 N -3.34 2.72 -0.26 0.56 2.02 -1.24 -3.61 117.35 114.20 1ygw s TYR 56 Ca 0.67 -1.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1ygw s TYR 56 Cb -0.12 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1ygw s TYR 56 CO 0.54 -0.57 0.00 0.71 -1.57 0.00 0.00 175.55 174.66 1ygw s TYR 57 N 0.85 3.08 0.25 2.71 2.02 6.02 -1.09 117.35 131.18 1ygw s TYR 57 Ca -0.06 -1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 55.18 1ygw s TYR 57 Cb -0.15 -2.15 -0.09 0.00 -0.40 0.00 0.00 41.96 39.16 1ygw s TYR 57 CO -0.02 -0.62 0.97 -1.83 -1.57 0.00 0.00 175.55 172.48 1ygw s GLU 58 N 1.43 4.82 -0.14 -0.62 -1.05 0.14 0.11 118.70 123.40 1ygw s GLU 58 Ca 0.02 1.54 -0.29 0.00 -0.15 0.00 0.00 54.97 56.09 1ygw s GLU 58 Cb -0.16 -3.25 0.08 0.00 -0.44 0.00 0.00 34.13 30.35 1ygw s GLU 58 CO -0.01 0.46 0.75 -0.46 0.95 0.00 0.00 175.26 176.95 1ygw s TRP 59 N -1.19 -0.65 0.35 4.83 -0.11 0.89 -2.92 118.94 120.13 1ygw s TRP 59 Ca 0.42 1.30 -0.26 0.00 1.22 0.00 0.00 56.10 58.77 1ygw s TRP 59 Cb -0.27 0.37 -0.09 0.00 -1.50 0.00 0.00 33.47 31.98 1ygw s TRP 59 CO 0.33 -0.49 1.06 -1.25 -4.62 0.00 0.00 176.95 171.98 1ygw s PRO 60 N -0.66 4.36 -0.21 5.86 0.04 -1.26 0.72 135.00 143.86 1ygw s PRO 60 Ca -0.06 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1ygw s PRO 60 Cb -0.02 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 1ygw s PRO 60 CO 0.06 0.01 -0.03 -1.50 0.04 0.00 0.00 177.00 175.58 1ygw s ILE 61 N -1.46 3.63 -0.24 0.56 2.07 -1.09 -4.66 121.20 120.01 1ygw s ILE 61 Ca 0.52 -0.42 -0.21 0.00 -1.41 0.00 0.00 60.65 59.13 1ygw s ILE 61 Cb -0.26 -2.64 -0.02 0.00 0.13 0.00 0.00 42.46 39.67 1ygw s ILE 61 CO 0.33 0.43 0.68 -0.76 -1.91 0.00 0.00 174.94 173.70 1ygw s LEU 62 N 1.24 4.09 0.00 8.50 1.43 -1.26 -4.75 118.68 127.93 1ygw s LEU 62 Ca 0.03 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1ygw s LEU 62 Cb -0.14 -2.95 0.26 0.00 0.03 0.00 0.00 46.19 43.38 1ygw s LEU 62 CO -0.00 -0.38 0.95 -0.24 0.23 0.00 0.00 176.35 176.91 1ygw n SER 63 N 5.61 0.00 -0.39 2.29 2.88 -1.26 0.31 113.62 123.06 1ygw n SER 63 Ca 0.01 0.14 0.11 0.00 -1.33 0.00 0.00 58.87 57.80 1ygw n SER 63 Cb 0.49 -0.23 0.02 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.23 1.76 -1.41 -3.46 7.64 -1.26 -4.96 113.62 110.69 1ygw n SER 64 Ca 0.03 -1.36 -0.08 0.00 1.01 0.00 0.00 58.87 58.47 1ygw n SER 64 Cb 0.03 0.53 0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 1.43 0.35 0.00 0.23 0.00 0.15 -5.04 105.19 102.30 1ygw n GLY 65 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.08 1.20 -4.15 1.61 9.92 -1.26 -4.93 116.55 119.02 1ygw n ASP 66 Ca -0.02 -0.25 -0.33 0.00 -0.53 0.00 0.00 54.79 53.66 1ygw n ASP 66 Cb 0.53 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.85 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ygw s VAL 67 N 1.00 2.20 -0.55 2.53 1.01 -1.26 -4.49 120.40 120.84 1ygw s VAL 67 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1ygw s VAL 67 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1ygw s VAL 67 CO 0.00 0.53 1.72 -0.31 0.00 0.00 0.00 175.10 177.04 1ygw s TYR 68 N 1.24 1.86 -0.59 5.22 2.02 -1.26 -4.83 117.35 121.00 1ygw s TYR 68 Ca 0.03 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 1ygw s TYR 68 Cb -0.13 -4.19 0.50 0.00 -0.40 0.00 0.00 41.96 37.74 1ygw s TYR 68 CO -0.10 -2.35 1.95 -1.13 -1.57 0.00 0.00 175.55 172.35 1ygw n SER 69 N 11.41 6.58 -3.85 2.29 3.41 -1.26 -4.80 113.62 127.40 1ygw n SER 69 Ca 0.18 -3.75 -0.09 0.00 -0.26 0.00 0.00 58.87 54.95 1ygw n SER 69 Cb 0.50 -0.90 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1ygw n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ygw s GLY 70 N -1.85 0.13 0.08 5.00 0.00 -1.26 -3.56 107.32 105.86 1ygw s GLY 70 Ca 0.62 -0.60 0.27 0.00 0.00 0.00 0.00 44.72 45.01 1ygw s GLY 70 CO 0.02 -0.74 1.76 0.61 0.00 0.00 0.00 173.10 174.75 1ygw n GLY 71 N -0.12 -1.53 2.85 0.20 0.00 -1.23 -4.23 105.19 101.13 1ygw n GLY 71 Ca -0.13 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1ygw n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 72 N -1.80 3.88 0.02 1.61 2.88 -1.26 -4.86 113.62 114.08 1ygw n SER 72 Ca 0.06 -3.27 -0.19 0.00 -1.33 0.00 0.00 58.87 54.14 1ygw n SER 72 Cb 0.38 -0.87 -0.09 0.00 -0.75 0.00 0.00 64.21 62.88 1ygw n SER 72 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ygw h PRO 73 N 5.24 0.74 0.00 -1.46 0.13 -1.95 -3.50 132.00 131.21 1ygw h PRO 73 Ca 0.17 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1ygw h PRO 73 Cb 0.73 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ygw h PRO 73 CO 0.84 1.30 0.00 0.41 -0.23 0.00 0.00 178.00 180.33 1ygw n GLY 74 N 0.94 0.41 0.22 1.56 0.00 -1.26 -4.89 105.19 102.16 1ygw n GLY 74 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.77 2.15 -1.87 4.61 0.00 -1.26 -4.85 120.51 118.51 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 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.74 6.52 -0.05 0.00 1.01 -1.26 -1.94 116.67 117.21 1ygw s ASP 76 Ca 0.00 2.69 -0.10 0.00 0.71 0.00 0.00 52.55 55.85 1ygw s ASP 76 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1ygw s ASP 76 CO 0.00 -0.87 0.25 -0.13 0.21 0.00 0.00 175.17 174.62 1ygw s ARG 77 N 1.20 0.44 0.22 8.23 1.81 0.85 -2.67 118.95 129.04 1ygw s ARG 77 Ca 0.72 0.05 0.07 0.00 -1.72 0.00 0.00 55.73 54.84 1ygw s ARG 77 Cb -0.45 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 1ygw s ARG 77 CO 0.31 -0.09 0.14 0.14 -0.68 0.00 0.00 175.30 175.13 1ygw s VAL 78 N -0.58 4.29 -0.42 3.52 -7.23 3.55 0.02 120.40 123.56 1ygw s VAL 78 Ca -0.07 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 1ygw s VAL 78 Cb -0.04 -3.27 0.18 0.00 0.56 0.00 0.00 36.38 33.81 1ygw s VAL 78 CO 0.02 -0.27 0.36 0.52 -0.31 0.00 0.00 175.10 175.42 1ygw n VAL 79 N -0.83 -1.13 -1.42 1.32 0.31 0.43 0.30 118.33 117.32 1ygw n VAL 79 Ca -0.08 -3.49 0.00 0.00 -0.01 0.00 0.00 64.34 60.76 1ygw n VAL 79 Cb 0.57 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1ygw n VAL 79 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1ygw n PHE 80 N 2.73 -1.16 -3.62 3.52 -1.74 0.31 -0.55 117.46 116.96 1ygw n PHE 80 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.18 1ygw n PHE 80 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 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 -1.01 0.85 -1.07 5.98 3.02 0.08 0.95 115.26 124.06 1ygw n ASN 81 Ca 0.00 -0.62 0.05 0.00 -0.03 0.00 0.00 54.58 53.98 1ygw n ASN 81 Cb 0.00 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 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 2.69 -0.03 3.52 2.13 -1.26 -3.49 120.64 124.20 1ygw n GLU 82 Ca 0.00 -1.59 0.01 0.00 0.66 0.00 0.00 57.16 56.24 1ygw n GLU 82 Cb 0.00 -1.71 -0.11 0.00 0.27 0.00 0.00 31.44 29.89 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 0.44 1.77 0.00 4.31 6.94 -1.26 -4.99 115.26 122.47 1ygw n ASN 83 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 1ygw n ASN 83 Cb 0.61 1.29 0.00 0.00 -2.36 0.00 0.00 39.78 39.32 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 -2.21 0.00 -4.41 0.53 2.04 -1.23 -5.10 115.26 104.89 1ygw n ASN 84 Ca -0.11 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.67 1ygw n ASN 84 Cb 0.61 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.73 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 -0.04 3.52 -0.02 -3.83 -0.21 -1.26 -4.93 119.66 112.89 1ygw s GLN 85 Ca 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 54.77 1ygw s GLN 85 Cb 0.00 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1ygw s GLN 85 CO 0.00 -0.24 0.21 -1.17 -2.12 0.00 0.00 175.29 171.97 1ygw s LEU 86 N 1.58 4.37 0.00 2.90 0.20 -1.26 -0.74 118.68 125.73 1ygw s LEU 86 Ca 0.06 0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.32 1ygw s LEU 86 Cb -0.15 -2.56 0.00 0.00 -0.43 0.00 0.00 46.19 43.05 1ygw s LEU 86 CO 0.03 0.28 0.00 0.00 -0.29 0.00 0.00 176.35 176.37 1ygw n ALA 87 N 1.15 0.64 -0.12 5.97 0.00 -0.88 -4.78 120.51 122.50 1ygw n ALA 87 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1ygw n ALA 87 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1ygw n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ygw n GLY 88 N -0.21 1.40 1.22 0.00 0.00 0.29 -4.42 105.19 103.48 1ygw n GLY 88 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1ygw n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ygw n VAL 89 N 3.43 1.43 -0.74 1.61 0.31 -1.11 -0.32 118.33 122.94 1ygw n VAL 89 Ca 0.06 -0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 1ygw n VAL 89 Cb 0.08 -1.14 0.25 0.00 -0.91 0.00 0.00 33.84 32.12 1ygw n VAL 89 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ygw s ILE 90 N -0.18 1.59 -0.03 2.52 -0.00 0.10 0.35 121.20 125.55 1ygw s ILE 90 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.39 1ygw s ILE 90 Cb 0.02 -2.26 0.09 0.00 -0.00 0.00 0.00 42.46 40.31 1ygw s ILE 90 CO 0.00 0.00 0.76 0.28 -0.00 0.00 0.00 174.94 175.98 1ygw s THR 91 N -2.64 0.00 -1.96 8.37 -1.32 0.15 -0.10 115.64 118.14 1ygw s THR 91 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1ygw s THR 91 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1ygw s THR 91 CO 0.59 0.00 0.74 1.41 -2.21 0.00 0.00 174.62 175.15 1ygw n HIS 92 N 0.51 0.00 -1.52 9.09 8.25 -0.82 -2.89 115.22 127.85 1ygw n HIS 92 Ca -0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 1ygw n HIS 92 Cb 0.59 -0.00 -0.15 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 -0.47 0.00 -3.03 1.59 -1.04 -1.26 -2.93 114.28 107.13 1ygw n THR 93 Ca 0.00 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.05 61.34 1ygw n THR 93 Cb 0.01 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.55 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 6.08 -0.15 0.00 3.41 0.00 -1.26 -4.59 105.19 108.68 1ygw n GLY 94 Ca 0.57 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.64 1ygw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygw n ALA 95 N -2.28 1.21 -0.04 4.61 0.00 -1.15 -4.71 120.51 118.14 1ygw n ALA 95 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ygw n ALA 95 Cb 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.38 -0.03 0.00 0.00 2.88 -1.26 -4.71 113.62 109.12 1ygw n SER 96 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ygw n SER 96 Cb 0.02 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.01 0.08 1.07 0.46 0.00 -1.26 -4.53 105.19 100.98 1ygw n GLY 97 Ca 0.00 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 3.11 -4.71 1.61 4.05 -1.26 -4.92 115.26 113.15 1ygw n ASN 98 Ca 0.00 -1.98 -0.30 0.00 0.45 0.00 0.00 54.58 52.75 1ygw n ASN 98 Cb 0.00 -0.36 0.15 0.00 1.23 0.00 0.00 39.78 40.80 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 -1.09 3.27 0.35 1.20 6.03 -1.26 -5.03 114.94 118.40 1ygw s ASN 99 Ca 0.39 1.45 0.09 0.00 -1.03 0.00 0.00 52.86 53.76 1ygw s ASN 99 Cb 0.21 -2.12 -0.06 0.00 -3.03 0.00 0.00 41.25 36.24 1ygw s ASN 99 CO 0.27 -2.76 -0.06 -0.36 -2.03 0.00 0.00 177.10 172.16 1ygw s PHE 100 N -2.92 2.45 -0.29 1.54 0.08 -1.26 -4.53 117.98 113.05 1ygw s PHE 100 Ca 0.64 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 57.05 1ygw s PHE 100 Cb -0.18 -1.43 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 1ygw s PHE 100 CO 0.57 0.55 0.76 0.14 -0.10 0.00 0.00 175.22 177.14 1ygw s VAL 101 N -2.59 -0.30 0.14 -0.44 -7.23 -1.14 -4.85 120.40 103.99 1ygw s VAL 101 Ca 0.33 0.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.16 1ygw s VAL 101 Cb 0.02 -1.00 -0.16 0.00 0.56 0.00 0.00 36.38 35.81 1ygw s VAL 101 CO 0.17 0.00 1.32 -1.84 -0.31 0.00 0.00 175.10 174.44 1ygw n GLU 102 N 4.56 1.38 0.00 4.82 0.28 -1.26 0.32 120.64 130.73 1ygw n GLU 102 Ca -0.17 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1ygw n GLU 102 Cb 0.56 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97