#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 -0.30 0.01 -3.68 0.00 9.92 -1.26 -3.45 116.55 117.79 1ygw n ASP 3 Ca 0.33 0.93 -0.24 0.00 -0.53 0.00 0.00 54.79 55.27 1ygw n ASP 3 Cb 0.44 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 40.29 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 -4.71 0.43 -0.27 1.24 2.02 -1.21 -4.82 117.35 110.05 1ygw s TYR 4 Ca -0.05 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1ygw s TYR 4 Cb 0.25 -0.74 0.07 0.00 -0.40 0.00 0.00 41.96 41.14 1ygw s TYR 4 CO 0.81 -0.42 -0.03 0.99 -1.57 0.00 0.00 175.55 175.32 1ygw s THR 5 N 2.05 1.76 -1.49 -0.71 2.01 -0.42 0.14 115.64 119.00 1ygw s THR 5 Ca 0.03 -1.55 -0.11 0.00 0.31 0.00 0.00 61.69 60.37 1ygw s THR 5 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1ygw s THR 5 CO -0.07 -0.23 2.49 0.00 -0.69 0.00 0.00 174.62 176.12 1ygw n GLY 7 N 3.45 1.85 2.69 0.00 0.00 -1.26 -4.19 105.19 107.72 1ygw n GLY 7 Ca 0.62 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 3.07 -0.06 -1.55 1.61 3.41 -1.26 -5.07 113.62 113.76 1ygw n SER 8 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1ygw n SER 8 Cb 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.41 1.55 -2.69 4.04 3.02 -1.26 -5.12 115.26 114.39 1ygw n ASN 9 Ca 0.02 -0.88 -0.05 0.00 -0.03 0.00 0.00 54.58 53.65 1ygw n ASN 9 Cb 0.83 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.05 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 2.06 1.08 -0.40 0.00 4.01 0.12 -4.85 117.16 119.18 1ygw n TYR 11 Ca 0.08 -1.77 -0.13 0.00 -0.16 0.00 0.00 57.90 55.92 1ygw n TYR 11 Cb 0.66 -1.28 0.01 0.00 -0.31 0.00 0.00 39.34 38.42 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 1.20 -1.36 -0.01 7.72 2.88 -1.25 -2.50 113.62 120.29 1ygw n SER 12 Ca 0.40 0.19 0.16 0.00 -1.33 0.00 0.00 58.87 58.29 1ygw n SER 12 Cb 0.64 -0.28 0.25 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.89 0.00 0.11 -3.46 3.41 -1.26 0.63 113.62 113.95 1ygw n SER 13 Ca 0.02 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.27 1ygw n SER 13 Cb 0.16 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1ygw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ygw h SER 14 N 0.00 0.00 1.33 4.04 0.87 -1.96 -2.90 113.55 114.93 1ygw h SER 14 Ca 0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1ygw h SER 14 Cb 2.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.39 1ygw h SER 14 CO -0.00 0.56 -0.69 0.44 -0.53 0.00 0.00 176.83 176.60 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 3.32 1.89 -3.24 116.42 124.62 1ygw h ASP 15 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ygw h ASP 15 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1ygw h ASP 15 CO 0.07 0.23 0.00 0.52 -1.72 0.00 0.00 179.24 178.34 1ygw n VAL 16 N -2.96 0.00 -0.31 -1.35 0.31 -0.36 -2.97 118.33 110.69 1ygw n VAL 16 Ca -0.00 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 65.04 1ygw n VAL 16 Cb 0.64 -1.56 0.11 0.00 -0.91 0.00 0.00 33.84 32.12 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 -1.78 -0.35 -0.19 4.52 2.88 -1.10 0.15 113.62 117.76 1ygw n SER 17 Ca 0.00 1.48 -0.02 0.00 -1.33 0.00 0.00 58.87 59.00 1ygw n SER 17 Cb 0.00 -0.43 0.04 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.62 2.46 2.02 -1.68 0.98 112.91 116.41 1ygw h THR 18 Ca 0.39 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.54 1ygw h THR 18 Cb 0.61 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1ygw h THR 18 CO -0.88 0.00 0.26 0.00 0.37 0.00 0.00 175.52 175.27 1ygw h ALA 19 N 1.41 0.81 0.76 6.16 0.00 0.15 -3.08 119.26 125.48 1ygw h ALA 19 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ygw h ALA 19 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ygw h ALA 19 CO -0.62 0.41 -0.42 1.96 0.00 0.00 0.00 179.25 180.58 1ygw h GLN 20 N 0.86 -1.06 -0.97 0.00 4.20 0.20 -1.49 115.11 116.86 1ygw h GLN 20 Ca 0.21 0.07 0.33 0.00 0.06 0.00 0.00 58.65 59.32 1ygw h GLN 20 Cb 0.18 0.24 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 1ygw h GLN 20 CO -0.02 -0.70 0.64 0.00 -0.67 0.00 0.00 178.83 178.08 1ygw n ALA 21 N -2.63 0.96 -0.07 3.87 0.00 0.31 0.35 120.51 123.30 1ygw n ALA 21 Ca -0.14 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1ygw n ALA 21 Cb 0.45 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.07 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 0.98 -0.00 -0.66 0.00 0.00 -1.36 -0.63 119.26 117.59 1ygw h ALA 22 Ca 0.59 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ygw h ALA 22 Cb 1.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1ygw h ALA 22 CO -0.26 -0.00 0.41 0.78 0.00 0.00 0.00 179.25 180.18 1ygw h GLY 23 N -1.00 0.95 0.26 0.00 0.00 0.69 -1.94 103.07 102.04 1ygw h GLY 23 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1ygw h GLY 23 CO 0.00 0.38 -0.13 -1.82 0.00 0.00 0.00 176.54 174.97 1ygw h TYR 24 N 0.90 -0.33 -0.70 5.60 5.03 0.19 -1.22 116.97 126.43 1ygw h TYR 24 Ca 0.24 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.60 1ygw h TYR 24 Cb -0.04 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.26 1ygw h TYR 24 CO -0.02 -0.20 -0.42 1.17 -1.32 0.00 0.00 178.16 177.37 1ygw n LYS 25 N -4.19 -0.31 -0.23 1.82 3.00 -0.24 0.30 118.16 118.30 1ygw n LYS 25 Ca -0.04 1.19 0.04 0.00 -0.00 0.00 0.00 58.31 59.49 1ygw n LYS 25 Cb 0.14 -1.75 0.29 0.00 0.00 0.00 0.00 35.03 33.70 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 0.80 -0.06 3.14 5.85 -1.47 -0.05 115.31 123.51 1ygw h LEU 26 Ca 0.11 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ygw h LEU 26 Cb 0.29 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ygw h LEU 26 CO -0.66 0.54 0.02 -0.74 -0.34 0.00 0.00 178.44 177.25 1ygw h HIS 27 N 0.92 0.10 0.00 1.25 2.76 0.54 0.56 115.15 121.28 1ygw h HIS 27 Ca 0.32 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1ygw h HIS 27 Cb 0.12 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1ygw h HIS 27 CO -0.00 0.27 -0.01 0.93 -1.30 0.00 0.00 177.93 177.82 1ygw h GLU 28 N -0.10 0.00 0.00 5.26 5.08 0.54 0.19 114.58 125.55 1ygw h GLU 28 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ygw h GLU 28 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ygw h GLU 28 CO -0.00 0.01 -0.87 -0.44 -1.00 0.00 0.00 179.01 176.71 1ygw h ASP 29 N 0.00 0.00 -0.23 1.42 3.32 -0.40 -3.48 116.42 117.05 1ygw h ASP 29 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1ygw h ASP 29 Cb 0.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1ygw h ASP 29 CO 0.00 0.04 -0.06 0.61 -1.72 0.00 0.00 179.24 178.11 1ygw n GLY 30 N 1.23 0.47 4.02 2.75 0.00 0.16 -5.04 105.19 108.77 1ygw n GLY 30 Ca 0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 2.54 0.47 1.61 0.41 0.98 -4.99 118.70 116.77 1ygw s GLU 31 Ca 0.00 -1.35 0.02 0.00 -0.41 0.00 0.00 54.97 53.22 1ygw s GLU 31 Cb 0.00 -2.67 -0.01 0.00 -1.78 0.00 0.00 34.13 29.67 1ygw s GLU 31 CO 0.00 -0.60 0.06 0.25 -0.49 0.00 0.00 175.26 174.48 1ygw n THR 32 N -2.10 0.00 -3.77 3.63 -2.24 -1.26 -4.44 114.28 104.10 1ygw n THR 32 Ca 0.11 -2.40 -0.14 0.00 -2.27 0.00 0.00 64.05 59.35 1ygw n THR 32 Cb 0.60 0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.94 -0.05 0.00 2.28 -7.23 -0.41 -4.96 120.40 107.10 1ygw s VAL 33 Ca 0.08 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1ygw s VAL 33 Cb 0.00 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.79 1ygw s VAL 33 CO 0.06 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1ygw n GLY 34 N 4.09 -0.86 1.52 2.32 0.00 -1.17 -3.71 105.19 107.37 1ygw n GLY 34 Ca -0.26 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.63 1ygw n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ygw n SER 35 N 0.47 4.50 -1.28 1.61 2.88 -1.26 -4.69 113.62 115.84 1ygw n SER 35 Ca 0.00 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1ygw n SER 35 Cb 0.00 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1ygw n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ygw n ASN 36 N 0.69 1.37 -2.13 -3.46 4.13 -1.24 -4.93 115.26 109.69 1ygw n ASN 36 Ca 0.22 -0.64 -0.24 0.00 1.68 0.00 0.00 54.58 55.60 1ygw n ASN 36 Cb 0.91 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 39.16 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 -1.05 4.76 -4.88 6.41 3.41 -1.26 -4.42 113.62 116.59 1ygw n SER 37 Ca 0.00 -3.68 -0.33 0.00 -0.26 0.00 0.00 58.87 54.60 1ygw n SER 37 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 3.51 0.00 7.33 1.51 -1.26 -4.10 117.35 120.75 1ygw s TYR 38 Ca 0.50 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 1ygw s TYR 38 Cb 0.41 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1ygw s TYR 38 CO -0.00 0.44 0.00 -0.35 -1.11 0.00 0.00 175.55 174.53 1ygw n PRO 39 N 0.41 -0.40 0.00 -1.71 -0.04 -1.26 -1.29 135.00 130.72 1ygw n PRO 39 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ygw n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.12 0.00 -0.81 0.54 1.44 -1.15 -4.95 115.22 108.17 1ygw n HIS 40 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1ygw n HIS 40 Cb 0.00 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.22 1ygw n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1ygw n LYS 41 N -0.17 -0.61 -0.12 -1.40 2.85 -1.26 0.76 118.16 118.22 1ygw n LYS 41 Ca 0.00 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1ygw n LYS 41 Cb 0.00 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 1ygw n LYS 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1ygw n TYR 42 N -3.66 0.00 0.00 5.58 4.19 -0.22 -4.22 117.16 118.84 1ygw n TYR 42 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1ygw n TYR 42 Cb 0.59 0.10 0.00 0.00 0.49 0.00 0.00 39.34 40.52 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 -4.26 2.98 5.03 -1.26 -4.67 115.26 113.08 1ygw n ASN 43 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1ygw n ASN 43 Cb 0.52 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.43 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 -2.48 0.00 6.41 6.94 -1.26 -4.90 115.26 119.97 1ygw n ASN 44 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1ygw n ASN 44 Cb 0.00 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 36.47 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 -4.18 -0.28 0.32 -2.53 4.01 -1.26 -4.92 117.16 108.32 1ygw n TYR 45 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 1ygw n TYR 45 Cb 0.62 0.06 0.22 0.00 -0.31 0.00 0.00 39.34 39.93 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 -1.95 -3.41 114.58 112.89 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 -1.43 0.67 3.73 -3.84 0.00 -1.26 -5.12 105.19 97.93 1ygw n GLY 47 Ca -0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.36 3.42 -1.06 1.61 0.08 -1.26 -5.00 117.98 115.41 1ygw s PHE 48 Ca 0.00 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.40 1ygw s PHE 48 Cb 0.00 -2.18 0.29 0.00 -0.57 0.00 0.00 43.02 40.56 1ygw s PHE 48 CO 0.00 0.29 1.94 -0.25 -0.10 0.00 0.00 175.22 177.10 1ygw n ASP 49 N 3.49 7.48 -4.61 1.36 8.00 -1.26 -4.93 116.55 126.09 1ygw n ASP 49 Ca -0.16 -3.60 -0.44 0.00 0.71 0.00 0.00 54.79 51.30 1ygw n ASP 49 Cb 0.52 -1.20 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 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 0.21 2.09 0.14 1.24 3.72 -1.26 -4.77 117.46 118.83 1ygw n PHE 50 Ca 0.50 -0.15 0.01 0.00 -0.05 0.00 0.00 57.45 57.76 1ygw n PHE 50 Cb 0.26 -2.73 0.06 0.00 -0.94 0.00 0.00 39.48 36.13 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 10.17 0.00 -4.62 4.37 3.41 -1.26 -4.53 113.62 121.16 1ygw n SER 51 Ca 0.28 -0.08 -0.29 0.00 -0.26 0.00 0.00 58.87 58.52 1ygw n SER 51 Cb 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 3.60 0.72 -3.33 -7.23 -1.26 -5.09 120.40 105.80 1ygw s VAL 52 Ca 0.03 -1.25 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1ygw s VAL 52 Cb 0.01 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.31 1ygw s VAL 52 CO 0.02 0.05 1.01 -0.55 -0.31 0.00 0.00 175.10 175.33 1ygw s SER 53 N -2.43 4.60 0.70 4.85 0.15 -1.26 -5.03 113.70 115.28 1ygw s SER 53 Ca 0.24 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 1ygw s SER 53 Cb -0.11 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.42 1ygw s SER 53 CO 0.16 -1.71 1.09 -0.94 1.20 0.00 0.00 173.24 173.04 1ygw s SER 54 N -4.59 5.49 0.97 5.45 1.04 -1.26 -4.55 113.70 116.26 1ygw s SER 54 Ca 0.62 1.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.08 1ygw s SER 54 Cb -0.09 -1.99 0.18 0.00 0.10 0.00 0.00 66.02 64.22 1ygw s SER 54 CO 0.45 -1.32 1.17 -2.16 0.98 0.00 0.00 173.24 172.36 1ygw s PRO 55 N -5.34 0.62 -0.14 4.02 0.04 -1.26 -4.91 135.00 128.03 1ygw s PRO 55 Ca 0.58 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1ygw s PRO 55 Cb -0.11 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ygw s PRO 55 CO 0.52 -2.51 -0.17 0.71 0.04 0.00 0.00 177.00 175.59 1ygw s TYR 56 N -3.35 2.75 -0.23 0.56 2.02 -1.24 -3.67 117.35 114.19 1ygw s TYR 56 Ca 0.67 -1.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1ygw s TYR 56 Cb -0.12 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1ygw s TYR 56 CO 0.54 -0.43 -0.04 0.71 -1.57 0.00 0.00 175.55 174.75 1ygw s TYR 57 N 0.67 3.00 0.20 2.71 2.02 6.45 -1.05 117.35 131.33 1ygw s TYR 57 Ca -0.08 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.19 1ygw s TYR 57 Cb -0.16 -2.10 -0.08 0.00 -0.40 0.00 0.00 41.96 39.22 1ygw s TYR 57 CO 0.02 -0.61 0.99 -1.83 -1.57 0.00 0.00 175.55 172.55 1ygw s GLU 58 N 1.43 4.74 -0.16 -0.62 4.04 0.23 0.14 118.70 128.51 1ygw s GLU 58 Ca 0.04 1.55 -0.25 0.00 0.04 0.00 0.00 54.97 56.35 1ygw s GLU 58 Cb -0.15 -3.30 0.06 0.00 0.02 0.00 0.00 34.13 30.76 1ygw s GLU 58 CO -0.03 0.32 0.64 -0.46 -1.84 0.00 0.00 175.26 173.89 1ygw s TRP 59 N -0.68 -0.66 0.42 4.83 -0.11 0.87 -2.93 118.94 120.68 1ygw s TRP 59 Ca 0.44 1.43 -0.23 0.00 1.22 0.00 0.00 56.10 58.96 1ygw s TRP 59 Cb -0.26 0.29 -0.09 0.00 -1.50 0.00 0.00 33.47 31.91 1ygw s TRP 59 CO 0.33 -0.44 1.05 -1.25 -4.62 0.00 0.00 176.95 172.02 1ygw s PRO 60 N -0.31 4.09 -0.21 5.86 0.04 -1.26 0.60 135.00 143.81 1ygw s PRO 60 Ca -0.05 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 1ygw s PRO 60 Cb -0.03 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ygw s PRO 60 CO 0.04 -0.21 -0.06 -1.50 0.04 0.00 0.00 177.00 175.31 1ygw s ILE 61 N -1.71 3.23 -0.16 0.56 2.07 -1.10 -4.67 121.20 119.42 1ygw s ILE 61 Ca 0.60 -0.55 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 1ygw s ILE 61 Cb -0.21 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.91 1ygw s ILE 61 CO 0.27 0.44 0.82 -0.76 -1.91 0.00 0.00 174.94 173.80 1ygw s LEU 62 N 1.36 4.18 0.00 8.50 1.43 -1.26 -4.76 118.68 128.13 1ygw s LEU 62 Ca 0.04 1.17 0.10 0.00 -1.03 0.00 0.00 54.13 54.41 1ygw s LEU 62 Cb -0.14 -3.22 0.58 0.00 0.03 0.00 0.00 46.19 43.44 1ygw s LEU 62 CO -0.04 -0.38 1.01 -1.20 0.23 0.00 0.00 176.35 175.98 1ygw n SER 63 N 5.13 0.00 -0.22 2.29 7.64 -1.26 -0.30 113.62 126.90 1ygw n SER 63 Ca 0.04 -0.34 0.08 0.00 1.01 0.00 0.00 58.87 59.66 1ygw n SER 63 Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 1ygw n SER 63 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ygw n SER 64 N -0.97 1.31 -1.26 6.43 7.64 -1.26 -4.98 113.62 120.53 1ygw n SER 64 Ca 0.07 -1.15 -0.06 0.00 1.01 0.00 0.00 58.87 58.74 1ygw n SER 64 Cb 0.03 0.71 0.02 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.30 0.51 0.00 0.23 0.00 0.60 -5.05 105.19 102.78 1ygw n GLY 65 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.35 1.44 -4.19 1.61 9.92 -1.26 -4.95 116.55 119.47 1ygw n ASP 66 Ca -0.00 -0.18 -0.34 0.00 -0.53 0.00 0.00 54.79 53.74 1ygw n ASP 66 Cb 0.52 0.00 -0.15 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 0.98 2.51 -0.41 2.53 1.01 -1.26 -4.50 120.40 121.26 1ygw s VAL 67 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1ygw s VAL 67 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ygw s VAL 67 CO 0.00 0.50 1.66 -0.31 0.00 0.00 0.00 175.10 176.95 1ygw s TYR 68 N 1.30 2.01 -0.47 5.22 2.02 -1.26 -4.85 117.35 121.33 1ygw s TYR 68 Ca 0.04 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.42 1ygw s TYR 68 Cb -0.14 -4.20 0.49 0.00 -0.40 0.00 0.00 41.96 37.71 1ygw s TYR 68 CO -0.09 -2.50 1.67 -1.13 -1.57 0.00 0.00 175.55 171.94 1ygw n SER 69 N 10.07 5.51 -3.97 2.29 3.41 -1.26 -4.76 113.62 124.91 1ygw n SER 69 Ca 0.20 -3.76 -0.09 0.00 -0.26 0.00 0.00 58.87 54.96 1ygw n SER 69 Cb 0.48 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.42 0.26 0.28 5.00 0.00 -1.26 -3.05 107.32 106.13 1ygw s GLY 70 Ca 0.56 -0.75 0.26 0.00 0.00 0.00 0.00 44.72 44.79 1ygw s GLY 70 CO 0.02 -0.88 1.75 -1.33 0.00 0.00 0.00 173.10 172.66 1ygw h GLY 71 N 3.54 0.00 -7.25 0.20 0.00 -1.84 -3.37 103.07 94.34 1ygw h GLY 71 Ca -0.33 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.33 1ygw h GLY 71 CO 0.54 0.00 -0.34 -0.56 0.00 0.00 0.00 176.54 176.19 1ygw s SER 72 N -4.86 5.37 -0.01 0.19 0.01 -1.26 -4.84 113.70 108.30 1ygw s SER 72 Ca 0.08 -3.65 -0.21 0.00 1.31 0.00 0.00 55.95 53.48 1ygw s SER 72 Cb 0.10 -1.78 -0.22 0.00 0.21 0.00 0.00 66.02 64.33 1ygw s SER 72 CO 0.57 -0.16 1.12 1.55 0.41 0.00 0.00 173.24 176.72 1ygw h PRO 73 N 5.90 0.34 0.00 12.44 0.13 -1.95 -3.50 132.00 145.36 1ygw h PRO 73 Ca 0.12 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ygw h PRO 73 Cb 0.81 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ygw h PRO 73 CO 0.78 1.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.96 1ygw n GLY 74 N 0.94 0.43 0.54 1.56 0.00 -1.26 -4.90 105.19 102.49 1ygw n GLY 74 Ca -0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.79 2.44 -1.74 4.61 0.00 -1.26 -4.84 120.51 118.93 1ygw n ALA 75 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1ygw n ALA 75 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.88 6.43 -0.05 0.00 1.01 -1.26 -2.25 116.67 115.67 1ygw s ASP 76 Ca -0.04 2.76 -0.10 0.00 0.71 0.00 0.00 52.55 55.88 1ygw s ASP 76 Cb 0.01 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.39 1ygw s ASP 76 CO 0.06 -0.98 0.23 -0.13 0.21 0.00 0.00 175.17 174.56 1ygw s ARG 77 N 2.27 0.43 0.21 8.23 1.81 0.66 -2.73 118.95 129.84 1ygw s ARG 77 Ca 0.78 0.02 0.08 0.00 -1.72 0.00 0.00 55.73 54.89 1ygw s ARG 77 Cb -0.46 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 1ygw s ARG 77 CO 0.35 -0.09 0.05 0.14 -0.68 0.00 0.00 175.30 175.07 1ygw s VAL 78 N -0.62 3.89 -0.37 3.52 -7.23 2.53 0.28 120.40 122.40 1ygw s VAL 78 Ca -0.07 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1ygw s VAL 78 Cb -0.04 -3.02 0.14 0.00 0.56 0.00 0.00 36.38 34.02 1ygw s VAL 78 CO 0.02 -0.23 0.22 -0.69 -0.31 0.00 0.00 175.10 174.11 1ygw s VAL 79 N -1.97 0.40 0.00 1.32 1.01 0.53 0.30 120.40 121.99 1ygw s VAL 79 Ca 0.30 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1ygw s VAL 79 Cb -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1ygw s VAL 79 CO 0.21 -0.99 0.00 2.22 0.00 0.00 0.00 175.10 176.54 1ygw n PHE 80 N 3.88 -0.02 -3.52 5.22 -1.74 0.38 0.45 117.46 122.11 1ygw n PHE 80 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1ygw n PHE 80 Cb 0.37 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.37 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 -0.02 0.53 -0.95 5.98 3.02 -0.19 0.98 115.26 124.61 1ygw n ASN 81 Ca 0.00 -0.52 0.05 0.00 -0.03 0.00 0.00 54.58 54.09 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 2.41 -0.02 3.52 2.13 -1.26 -3.51 120.64 123.91 1ygw n GLU 82 Ca 0.00 -1.56 0.04 0.00 0.66 0.00 0.00 57.16 56.30 1ygw n GLU 82 Cb 0.00 -1.55 -0.13 0.00 0.27 0.00 0.00 31.44 30.03 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 0.55 1.23 0.00 4.31 6.94 -1.26 -4.98 115.26 122.05 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 0.51 1.54 0.00 0.00 -2.36 0.00 0.00 39.78 39.47 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 -2.19 0.00 -4.41 0.53 2.04 -1.23 -5.09 115.26 104.91 1ygw n ASN 84 Ca -0.08 0.00 -0.38 0.00 -0.44 0.00 0.00 54.58 53.68 1ygw n ASN 84 Cb 0.57 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.70 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 3.27 0.01 -3.83 -0.21 -1.26 -4.93 119.66 112.68 1ygw s GLN 85 Ca 0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 54.59 1ygw s GLN 85 Cb 0.00 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 1ygw s GLN 85 CO 0.00 -0.41 0.22 -1.17 -2.12 0.00 0.00 175.29 171.81 1ygw s LEU 86 N 1.57 4.36 0.00 2.90 0.20 -1.26 -1.02 118.68 125.43 1ygw s LEU 86 Ca 0.04 0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.28 1ygw s LEU 86 Cb -0.17 -2.70 0.00 0.00 -0.43 0.00 0.00 46.19 42.89 1ygw s LEU 86 CO 0.05 0.24 0.00 0.00 -0.29 0.00 0.00 176.35 176.35 1ygw n ALA 87 N 0.89 0.41 -0.03 5.97 0.00 -0.26 -4.75 120.51 122.73 1ygw n ALA 87 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ygw n ALA 87 Cb 0.52 0.00 -0.00 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 -0.44 1.16 1.26 0.00 0.00 0.17 -4.42 105.19 102.92 1ygw n GLY 88 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.31 1.41 -0.72 1.61 0.31 -1.14 -0.35 118.33 122.76 1ygw n VAL 89 Ca 0.01 -0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 63.82 1ygw n VAL 89 Cb 0.02 -1.22 0.25 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.08 1.62 -0.05 2.52 -0.00 0.14 0.24 121.20 125.76 1ygw s ILE 90 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.36 1ygw s ILE 90 Cb 0.00 -2.24 0.10 0.00 -0.00 0.00 0.00 42.46 40.32 1ygw s ILE 90 CO 0.00 0.00 0.83 0.28 -0.00 0.00 0.00 174.94 176.05 1ygw s THR 91 N -2.61 0.00 -2.16 8.37 -1.32 0.36 -0.24 115.64 118.04 1ygw s THR 91 Ca 0.69 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.37 1ygw s THR 91 Cb -0.16 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.32 1ygw s THR 91 CO 0.59 0.00 1.63 1.41 -2.21 0.00 0.00 174.62 176.04 1ygw n HIS 92 N 0.36 0.11 0.16 9.09 8.25 -0.96 -3.09 115.22 129.14 1ygw n HIS 92 Ca -0.13 -0.05 0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1ygw n HIS 92 Cb 0.60 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.78 1ygw n HIS 92 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ygw h THR 93 N 1.21 0.11 -0.42 1.59 2.02 -1.90 -3.28 112.91 112.25 1ygw h THR 93 Ca 0.00 -1.18 -0.31 0.00 0.77 0.00 0.00 66.41 65.69 1ygw h THR 93 Cb 0.27 1.86 -0.29 0.00 -1.74 0.00 0.00 68.15 68.24 1ygw h THR 93 CO 0.00 0.07 -0.77 0.61 0.37 0.00 0.00 175.52 175.80 1ygw n GLY 94 N 1.16 5.09 0.68 2.16 0.00 -1.21 -4.69 105.19 108.39 1ygw n GLY 94 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.74 2.44 -2.02 4.61 0.00 -1.25 -4.52 120.51 119.02 1ygw n ALA 95 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1ygw n ALA 95 Cb 0.87 0.22 0.01 0.00 0.00 0.00 0.00 19.45 20.56 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 -2.28 -2.48 0.00 0.00 2.88 -1.24 -4.78 113.62 105.73 1ygw n SER 96 Ca 0.00 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1ygw n SER 96 Cb 0.22 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 -1.26 0.14 0.01 0.46 0.00 -1.26 -4.83 105.19 98.45 1ygw n GLY 97 Ca -0.03 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 0.70 -4.73 1.61 4.05 -1.26 -4.88 115.26 110.75 1ygw n ASN 98 Ca 0.00 -0.53 -0.31 0.00 0.45 0.00 0.00 54.58 54.18 1ygw n ASN 98 Cb 0.00 0.50 0.11 0.00 1.23 0.00 0.00 39.78 41.63 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 -2.98 3.96 0.31 1.20 6.03 -1.26 -5.03 114.94 117.16 1ygw s ASN 99 Ca 0.10 2.02 0.09 0.00 -1.03 0.00 0.00 52.86 54.04 1ygw s ASN 99 Cb 0.17 -2.55 -0.06 0.00 -3.03 0.00 0.00 41.25 35.78 1ygw s ASN 99 CO 0.75 -2.41 -0.10 -0.36 -2.03 0.00 0.00 177.10 172.96 1ygw s PHE 100 N -2.69 2.20 -0.29 1.54 0.08 -1.26 -4.49 117.98 113.07 1ygw s PHE 100 Ca 0.65 -0.55 -0.14 0.00 0.12 0.00 0.00 56.93 57.01 1ygw s PHE 100 Cb -0.20 -1.21 0.12 0.00 -0.57 0.00 0.00 43.02 41.15 1ygw s PHE 100 CO 0.55 0.49 0.75 0.14 -0.10 0.00 0.00 175.22 177.04 1ygw s VAL 101 N -2.75 -0.42 -0.07 -0.44 -7.23 -1.18 -4.82 120.40 103.49 1ygw s VAL 101 Ca 0.31 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.12 1ygw s VAL 101 Cb 0.02 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.82 1ygw s VAL 101 CO 0.14 0.00 1.73 -1.84 -0.31 0.00 0.00 175.10 174.82 1ygw n GLU 102 N 4.72 1.80 -0.38 4.82 0.28 -1.26 -0.48 120.64 130.14 1ygw n GLU 102 Ca -0.16 0.66 -0.14 0.00 -0.16 0.00 0.00 57.16 57.36 1ygw n GLU 102 Cb 0.54 -2.43 0.13 0.00 1.43 0.00 0.00 31.44 31.12 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97