#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 -0.24 0.01 -3.68 0.00 9.92 -1.26 -3.43 116.55 117.87 1ygw n ASP 3 Ca 0.31 0.89 -0.24 0.00 -0.53 0.00 0.00 54.79 55.22 1ygw n ASP 3 Cb 0.48 -0.44 -0.17 0.00 -0.64 0.00 0.00 41.12 40.35 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 -4.64 0.38 -0.26 1.24 2.02 -1.26 -4.82 117.35 110.01 1ygw s TYR 4 Ca -0.04 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1ygw s TYR 4 Cb 0.24 -0.71 0.07 0.00 -0.40 0.00 0.00 41.96 41.16 1ygw s TYR 4 CO 0.78 -0.41 -0.03 0.99 -1.57 0.00 0.00 175.55 175.32 1ygw s THR 5 N 2.07 1.66 -1.49 -0.71 2.01 -1.22 0.28 115.64 118.23 1ygw s THR 5 Ca 0.03 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 60.44 1ygw s THR 5 Cb -0.14 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1ygw s THR 5 CO -0.06 -0.24 2.51 0.00 -0.69 0.00 0.00 174.62 176.14 1ygw n GLY 7 N 3.44 1.82 2.69 0.00 0.00 -1.26 -4.18 105.19 107.71 1ygw n GLY 7 Ca 0.63 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 3.26 0.42 -1.64 1.61 3.41 -1.26 -5.07 113.62 114.35 1ygw n SER 8 Ca 0.00 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1ygw n SER 8 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.34 1.49 -2.69 4.04 3.02 -1.26 -5.12 115.26 114.41 1ygw n ASN 9 Ca 0.04 -0.94 -0.05 0.00 -0.03 0.00 0.00 54.58 53.61 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 2.10 1.12 -0.43 0.00 4.01 0.14 -4.85 117.16 119.25 1ygw n TYR 11 Ca 0.08 -1.79 -0.14 0.00 -0.16 0.00 0.00 57.90 55.89 1ygw n TYR 11 Cb 0.66 -1.31 0.01 0.00 -0.31 0.00 0.00 39.34 38.38 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 -1.52 0.04 7.72 2.88 -1.26 -2.51 113.62 120.18 1ygw n SER 12 Ca 0.42 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 1ygw n SER 12 Cb 0.64 -0.30 0.22 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.99 0.00 0.11 -3.46 3.41 -1.26 0.63 113.62 114.04 1ygw n SER 13 Ca 0.02 0.62 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1ygw n SER 13 Cb 0.18 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.27 4.04 0.87 -1.97 -3.00 113.55 114.76 1ygw h SER 14 Ca 0.25 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1ygw h SER 14 Cb 2.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.37 1ygw h SER 14 CO -0.00 0.48 -0.75 0.44 -0.53 0.00 0.00 176.83 176.47 1ygw h ASP 15 N 0.00 0.00 0.00 6.23 5.19 1.87 -3.27 116.42 126.44 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 1.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1ygw h ASP 15 CO 0.05 0.18 0.00 0.52 -3.12 0.00 0.00 179.24 176.88 1ygw n VAL 16 N -2.91 0.00 -0.29 -1.35 0.31 -0.29 -2.94 118.33 110.86 1ygw n VAL 16 Ca -0.00 0.70 0.12 0.00 -0.01 0.00 0.00 64.34 65.15 1ygw n VAL 16 Cb 0.63 -1.60 0.24 0.00 -0.91 0.00 0.00 33.84 32.20 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 -1.80 -0.11 -0.07 4.52 2.88 -1.14 0.15 113.62 118.05 1ygw n SER 17 Ca 0.00 1.43 -0.08 0.00 -1.33 0.00 0.00 58.87 58.90 1ygw n SER 17 Cb 0.00 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.36 -0.65 2.46 2.02 -1.66 1.15 112.91 116.59 1ygw h THR 18 Ca 0.51 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.68 1ygw h THR 18 Cb 1.03 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1ygw h THR 18 CO -0.80 0.00 0.37 0.00 0.37 0.00 0.00 175.52 175.46 1ygw h ALA 19 N 0.85 0.83 0.85 6.16 0.00 0.15 -3.02 119.26 125.08 1ygw h ALA 19 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ygw h ALA 19 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ygw h ALA 19 CO -0.43 0.33 -0.44 1.96 0.00 0.00 0.00 179.25 180.67 1ygw h GLN 20 N 0.89 -1.14 -0.88 0.00 4.20 0.84 -1.99 115.11 117.02 1ygw h GLN 20 Ca 0.23 0.08 0.31 0.00 0.06 0.00 0.00 58.65 59.33 1ygw h GLN 20 Cb 0.02 0.26 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 1ygw h GLN 20 CO -0.04 -0.76 0.56 0.00 -0.67 0.00 0.00 178.83 177.92 1ygw n ALA 21 N -2.64 0.87 0.03 3.87 0.00 0.38 0.28 120.51 123.31 1ygw n ALA 21 Ca -0.15 0.58 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1ygw n ALA 21 Cb 0.48 -0.69 -0.07 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 -0.17 -0.74 0.00 0.00 -1.35 -0.05 119.26 118.01 1ygw h ALA 22 Ca 0.57 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1ygw h ALA 22 Cb 1.82 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1ygw h ALA 22 CO -0.32 -0.22 0.48 0.78 0.00 0.00 0.00 179.25 179.97 1ygw h GLY 23 N -0.93 1.05 0.58 0.00 0.00 0.47 -1.53 103.07 102.71 1ygw h GLY 23 Ca -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1ygw h GLY 23 CO 0.03 0.35 -0.28 -1.82 0.00 0.00 0.00 176.54 174.82 1ygw h TYR 24 N 0.96 -0.72 -0.69 5.60 3.20 0.22 0.93 116.97 126.47 1ygw h TYR 24 Ca 0.28 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1ygw h TYR 24 Cb -0.07 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 38.35 1ygw h TYR 24 CO -0.03 -0.45 -0.47 -0.22 -1.64 0.00 0.00 178.16 175.35 1ygw h LYS 25 N -1.09 -0.08 -0.50 1.82 3.11 -0.96 2.71 116.57 121.58 1ygw h LYS 25 Ca -0.08 0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.84 1ygw h LYS 25 Cb 0.60 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.82 1ygw h LYS 25 CO 0.13 -0.05 0.34 1.25 -2.81 0.00 0.00 179.45 178.31 1ygw h LEU 26 N -0.08 0.33 0.11 5.20 5.85 -1.36 -0.03 115.31 125.33 1ygw h LEU 26 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ygw h LEU 26 Cb 0.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ygw h LEU 26 CO -0.69 0.21 -0.05 -0.74 -0.34 0.00 0.00 178.44 176.82 1ygw h HIS 27 N 0.37 -0.14 -0.08 1.25 2.76 0.46 0.63 115.15 120.40 1ygw h HIS 27 Ca 0.23 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1ygw h HIS 27 Cb 0.41 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1ygw h HIS 27 CO -0.00 0.24 0.10 1.05 -1.30 0.00 0.00 177.93 178.01 1ygw h GLU 28 N -0.54 0.00 0.00 5.26 4.11 0.50 0.39 114.58 124.30 1ygw h GLU 28 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ygw h GLU 28 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ygw h GLU 28 CO 0.02 0.00 -1.04 -0.25 0.07 0.00 0.00 179.01 177.82 1ygw n ASP 29 N -3.78 0.72 -0.42 3.06 9.92 -0.12 -4.95 116.55 120.98 1ygw n ASP 29 Ca -0.01 0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.40 1ygw n ASP 29 Cb 0.20 0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 41.26 1ygw n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ygw n GLY 30 N 1.24 0.50 4.02 0.44 0.00 0.14 -5.03 105.19 106.49 1ygw n GLY 30 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.16 2.20 0.42 1.61 0.41 0.18 -4.99 118.70 115.36 1ygw s GLU 31 Ca 0.00 -1.46 0.03 0.00 -0.41 0.00 0.00 54.97 53.13 1ygw s GLU 31 Cb 0.00 -2.58 -0.03 0.00 -1.78 0.00 0.00 34.13 29.75 1ygw s GLU 31 CO 0.00 -0.96 0.09 0.95 -0.49 0.00 0.00 175.26 174.85 1ygw s THR 32 N -2.76 0.84 -0.02 3.63 -4.23 -1.26 -4.43 115.64 107.41 1ygw s THR 32 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1ygw s THR 32 Cb -0.06 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1ygw s THR 32 CO 0.40 0.00 -0.00 0.68 -0.54 0.00 0.00 174.62 175.15 1ygw s VAL 33 N -3.13 0.15 0.00 2.29 -7.23 -0.40 -4.96 120.40 107.13 1ygw s VAL 33 Ca 0.22 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1ygw s VAL 33 Cb 0.03 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.75 1ygw s VAL 33 CO 0.12 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1ygw n GLY 34 N 3.83 -0.33 0.12 2.32 0.00 -1.26 -3.82 105.19 106.05 1ygw n GLY 34 Ca -0.23 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 1.33 1.10 -1.91 1.61 2.88 -1.25 -4.75 113.62 112.62 1ygw n SER 35 Ca 0.00 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1ygw n SER 35 Cb 0.00 0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.14 0.00 -2.35 -3.46 4.13 -1.25 -5.03 115.26 106.16 1ygw n ASN 36 Ca 0.06 -0.47 -0.22 0.00 1.68 0.00 0.00 54.58 55.63 1ygw n ASN 36 Cb 0.36 0.00 0.01 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 -1.42 4.24 -4.88 6.41 3.41 -1.26 -4.49 113.62 115.64 1ygw n SER 37 Ca 0.00 -3.50 -0.33 0.00 -0.26 0.00 0.00 58.87 54.78 1ygw n SER 37 Cb 0.00 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.55 3.51 0.00 7.33 1.51 -1.26 -4.10 117.35 120.79 1ygw s TYR 38 Ca 0.46 0.71 0.00 0.00 -1.01 0.00 0.00 57.07 57.23 1ygw s TYR 38 Cb 0.40 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1ygw s TYR 38 CO -0.07 0.44 0.00 -0.35 -1.11 0.00 0.00 175.55 174.47 1ygw n PRO 39 N 0.41 -0.50 -3.57 -1.71 -0.04 -1.26 -1.27 135.00 127.06 1ygw n PRO 39 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.44 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 -3.38 -0.04 0.00 0.00 175.50 172.08 1ygw s HIS 40 N -1.00 -0.01 0.90 0.54 -3.43 -1.15 -4.96 115.29 106.19 1ygw s HIS 40 Ca 0.00 -0.00 -0.13 0.00 -0.80 0.00 0.00 55.06 54.13 1ygw s HIS 40 Cb 0.00 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.70 1ygw s HIS 40 CO 0.00 -0.03 0.62 1.17 -2.00 0.00 0.00 174.74 174.50 1ygw n LYS 41 N -0.42 -0.20 0.00 -0.38 4.81 -1.26 0.40 118.16 121.11 1ygw n LYS 41 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1ygw n LYS 41 Cb 0.63 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 -3.52 0.00 0.00 5.64 4.19 0.61 -4.41 117.16 119.67 1ygw n TYR 42 Ca 0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.30 1ygw n TYR 42 Cb 0.53 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.36 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N -1.39 0.00 0.00 2.98 3.02 -1.17 -4.79 115.26 113.90 1ygw n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ygw n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 6.36 0.00 0.00 6.41 6.94 -1.26 -4.84 115.26 128.86 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 -1.47 -0.36 0.21 -2.53 4.01 -1.26 -4.92 117.16 110.84 1ygw n TYR 45 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1ygw n TYR 45 Cb 0.00 0.07 0.23 0.00 -0.31 0.00 0.00 39.34 39.33 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 5.08 -1.99 -3.41 114.58 113.54 1ygw h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ygw h GLU 46 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ygw h GLU 46 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1ygw n GLY 47 N -1.29 0.70 3.75 -3.84 0.00 -1.26 -5.11 105.19 98.13 1ygw n GLY 47 Ca -0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.85 3.53 -0.98 1.61 0.08 -1.26 -4.99 117.98 115.12 1ygw s PHE 48 Ca 0.00 0.77 -0.03 0.00 0.12 0.00 0.00 56.93 57.79 1ygw s PHE 48 Cb 0.00 -2.40 0.23 0.00 -0.57 0.00 0.00 43.02 40.28 1ygw s PHE 48 CO 0.00 0.29 2.17 -0.25 -0.10 0.00 0.00 175.22 177.33 1ygw n ASP 49 N 3.29 7.45 -4.54 1.36 8.00 -1.26 -4.94 116.55 125.91 1ygw n ASP 49 Ca -0.11 -3.50 -0.40 0.00 0.71 0.00 0.00 54.79 51.50 1ygw n ASP 49 Cb 0.52 -1.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.36 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 0.46 1.38 0.04 1.24 3.72 -1.26 -4.72 117.46 118.32 1ygw n PHE 50 Ca 0.53 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1ygw n PHE 50 Cb 0.30 -2.60 0.02 0.00 -0.94 0.00 0.00 39.48 36.26 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 13.80 0.00 -4.70 4.37 3.41 -1.26 -4.52 113.62 124.72 1ygw n SER 51 Ca 0.41 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.71 1ygw n SER 51 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 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 4.05 0.70 -3.33 -7.23 -1.26 -5.12 120.40 106.21 1ygw s VAL 52 Ca 0.01 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1ygw s VAL 52 Cb 0.00 -2.96 0.06 0.00 0.56 0.00 0.00 36.38 34.04 1ygw s VAL 52 CO 0.01 0.06 1.00 -0.44 -0.31 0.00 0.00 175.10 175.42 1ygw s SER 53 N -2.50 4.83 0.76 4.85 0.01 -1.26 -5.04 113.70 115.35 1ygw s SER 53 Ca 0.27 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 1ygw s SER 53 Cb -0.11 -1.09 0.05 0.00 0.21 0.00 0.00 66.02 65.07 1ygw s SER 53 CO 0.19 -1.58 1.10 -0.94 0.41 0.00 0.00 173.24 172.42 1ygw s SER 54 N -4.51 4.88 1.00 2.44 1.04 -1.26 -4.58 113.70 112.70 1ygw s SER 54 Ca 0.60 1.24 -0.15 0.00 0.48 0.00 0.00 55.95 58.12 1ygw s SER 54 Cb -0.11 -2.00 0.19 0.00 0.10 0.00 0.00 66.02 64.21 1ygw s SER 54 CO 0.44 -1.71 1.18 -2.16 0.98 0.00 0.00 173.24 171.97 1ygw s PRO 55 N -5.24 0.40 -0.25 4.02 0.04 -1.26 -4.83 135.00 127.88 1ygw s PRO 55 Ca 0.60 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.65 1ygw s PRO 55 Cb -0.13 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1ygw s PRO 55 CO 0.53 -2.64 -0.10 0.71 0.04 0.00 0.00 177.00 175.54 1ygw s TYR 56 N -3.38 3.16 -0.25 0.56 2.02 -1.24 -3.39 117.35 114.83 1ygw s TYR 56 Ca 0.68 -2.02 -0.10 0.00 -0.37 0.00 0.00 57.07 55.26 1ygw s TYR 56 Cb -0.10 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 1ygw s TYR 56 CO 0.54 -0.83 0.16 0.71 -1.57 0.00 0.00 175.55 174.55 1ygw s TYR 57 N 1.19 3.26 0.10 2.71 2.02 7.55 -0.28 117.35 133.89 1ygw s TYR 57 Ca -0.05 0.12 -0.26 0.00 -0.37 0.00 0.00 57.07 56.52 1ygw s TYR 57 Cb -0.18 -2.30 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 1ygw s TYR 57 CO -0.06 -0.05 0.80 -1.83 -1.57 0.00 0.00 175.55 172.85 1ygw s GLU 58 N 1.32 4.56 -0.12 -0.62 4.04 0.16 0.21 118.70 128.25 1ygw s GLU 58 Ca 0.07 1.16 -0.25 0.00 0.04 0.00 0.00 54.97 55.99 1ygw s GLU 58 Cb -0.14 -3.33 0.06 0.00 0.02 0.00 0.00 34.13 30.73 1ygw s GLU 58 CO 0.07 0.37 0.60 -0.46 -1.84 0.00 0.00 175.26 174.00 1ygw s TRP 59 N -0.43 -0.60 0.39 4.83 -0.11 1.09 -2.94 118.94 121.19 1ygw s TRP 59 Ca 0.39 1.23 -0.24 0.00 1.22 0.00 0.00 56.10 58.69 1ygw s TRP 59 Cb -0.22 0.29 -0.09 0.00 -1.50 0.00 0.00 33.47 31.96 1ygw s TRP 59 CO 0.25 -0.47 1.06 -1.25 -4.62 0.00 0.00 176.95 171.92 1ygw s PRO 60 N -0.60 4.17 -0.21 5.86 0.04 -1.26 0.73 135.00 143.74 1ygw s PRO 60 Ca -0.07 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 1ygw s PRO 60 Cb -0.03 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1ygw s PRO 60 CO 0.05 -0.14 -0.03 -1.50 0.04 0.00 0.00 177.00 175.43 1ygw s ILE 61 N -1.63 3.63 -0.26 0.56 2.07 -1.15 -4.65 121.20 119.77 1ygw s ILE 61 Ca 0.57 -0.42 -0.20 0.00 -1.41 0.00 0.00 60.65 59.20 1ygw s ILE 61 Cb -0.23 -2.64 -0.02 0.00 0.13 0.00 0.00 42.46 39.70 1ygw s ILE 61 CO 0.29 0.43 0.61 -0.76 -1.91 0.00 0.00 174.94 173.60 1ygw s LEU 62 N 1.20 4.06 0.00 8.50 1.43 -1.26 -4.76 118.68 127.85 1ygw s LEU 62 Ca 0.03 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1ygw s LEU 62 Cb -0.14 -2.82 0.19 0.00 0.03 0.00 0.00 46.19 43.44 1ygw s LEU 62 CO -0.00 -0.36 0.90 -1.20 0.23 0.00 0.00 176.35 175.92 1ygw n SER 63 N 5.69 0.00 -0.61 2.29 7.64 -1.26 0.53 113.62 127.90 1ygw n SER 63 Ca -0.01 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.15 1ygw n SER 63 Cb 0.49 -0.24 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.24 2.26 -1.98 6.43 7.64 -1.26 -4.96 113.62 120.50 1ygw n SER 64 Ca 0.02 -1.63 -0.12 0.00 1.01 0.00 0.00 58.87 58.15 1ygw n SER 64 Cb 0.03 0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.39 0.17 0.00 0.23 0.00 0.19 -5.03 105.19 102.13 1ygw n GLY 65 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.72 1.13 -4.15 1.61 9.92 -1.26 -4.92 116.55 118.16 1ygw n ASP 66 Ca -0.01 -0.31 -0.33 0.00 -0.53 0.00 0.00 54.79 53.61 1ygw n ASP 66 Cb 0.54 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.95 2.31 0.06 2.53 1.01 -1.26 -4.53 120.40 121.48 1ygw s VAL 67 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 1ygw s VAL 67 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 1ygw s VAL 67 CO 0.00 0.50 1.28 -0.31 0.00 0.00 0.00 175.10 176.57 1ygw s TYR 68 N 1.32 3.28 -0.45 5.22 2.02 -1.26 -4.94 117.35 122.54 1ygw s TYR 68 Ca 0.05 1.13 0.07 0.00 -0.37 0.00 0.00 57.07 57.94 1ygw s TYR 68 Cb -0.13 -3.53 0.28 0.00 -0.40 0.00 0.00 41.96 38.18 1ygw s TYR 68 CO -0.11 -1.76 0.91 -1.13 -1.57 0.00 0.00 175.55 171.89 1ygw n SER 69 N 4.24 -1.92 0.00 2.29 3.41 -1.26 -4.77 113.62 115.60 1ygw n SER 69 Ca 0.10 -3.35 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1ygw n SER 69 Cb 0.45 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.00 1.00 3.11 5.00 0.00 -1.26 -4.06 105.19 109.98 1ygw n GLY 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 2.76 3.05 -0.02 0.00 -1.25 -3.90 105.19 105.82 1ygw n GLY 71 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ygw n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ygw s SER 72 N -0.14 5.51 -0.05 1.61 0.15 -1.26 -4.79 113.70 114.74 1ygw s SER 72 Ca 0.00 -3.60 -0.25 0.00 0.70 0.00 0.00 55.95 52.80 1ygw s SER 72 Cb 0.00 -1.82 -0.23 0.00 -1.71 0.00 0.00 66.02 62.26 1ygw s SER 72 CO 0.00 -0.19 1.06 1.55 1.20 0.00 0.00 173.24 176.86 1ygw h PRO 73 N 6.03 0.14 0.00 5.44 0.13 -1.94 -3.50 132.00 138.30 1ygw h PRO 73 Ca 0.12 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ygw h PRO 73 Cb 0.82 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ygw h PRO 73 CO 0.79 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.83 1ygw n GLY 74 N 0.93 0.47 0.39 1.56 0.00 -1.26 -4.90 105.19 102.38 1ygw n GLY 74 Ca -0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 2.16 -1.81 4.61 0.00 -1.26 -4.87 120.51 118.52 1ygw n ALA 75 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1ygw n ALA 75 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -5.21 6.47 0.00 0.00 1.01 -1.26 -2.55 116.67 115.13 1ygw s ASP 76 Ca -0.11 2.74 -0.11 0.00 0.71 0.00 0.00 52.55 55.79 1ygw s ASP 76 Cb 0.03 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1ygw s ASP 76 CO 0.16 -0.92 0.21 -0.13 0.21 0.00 0.00 175.17 174.70 1ygw s ARG 77 N 1.52 0.60 0.23 8.23 1.81 0.51 -2.95 118.95 128.89 1ygw s ARG 77 Ca 0.74 -0.37 0.09 0.00 -1.72 0.00 0.00 55.73 54.47 1ygw s ARG 77 Cb -0.46 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 1ygw s ARG 77 CO 0.32 -0.16 -0.03 0.14 -0.68 0.00 0.00 175.30 174.89 1ygw s VAL 78 N -1.60 3.40 -0.39 3.52 -7.23 3.64 -0.14 120.40 121.60 1ygw s VAL 78 Ca -0.12 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1ygw s VAL 78 Cb -0.05 -2.76 0.16 0.00 0.56 0.00 0.00 36.38 34.28 1ygw s VAL 78 CO 0.02 -0.26 0.30 -0.69 -0.31 0.00 0.00 175.10 174.16 1ygw s VAL 79 N -2.05 0.27 0.00 1.32 1.01 -0.52 0.35 120.40 120.77 1ygw s VAL 79 Ca 0.29 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1ygw s VAL 79 Cb -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ygw s VAL 79 CO 0.18 -1.16 0.00 2.22 0.00 0.00 0.00 175.10 176.34 1ygw n PHE 80 N 3.23 -2.06 -3.61 5.22 -1.74 0.57 -0.55 117.46 118.52 1ygw n PHE 80 Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.13 1ygw n PHE 80 Cb 0.44 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.44 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 -1.88 1.03 -1.08 5.98 3.02 -0.07 1.06 115.26 123.32 1ygw n ASN 81 Ca 0.00 -0.61 0.04 0.00 -0.03 0.00 0.00 54.58 53.97 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 2.69 -0.03 3.52 2.13 -1.26 -3.42 120.64 124.27 1ygw n GLU 82 Ca 0.00 -1.44 -0.00 0.00 0.66 0.00 0.00 57.16 56.38 1ygw n GLU 82 Cb 0.00 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 29.85 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 0.32 2.46 0.00 4.31 6.94 -1.26 -4.99 115.26 123.04 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 0.64 1.09 0.00 0.00 -2.36 0.00 0.00 39.78 39.15 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 -2.16 0.00 -4.46 0.53 2.04 -1.22 -5.10 115.26 104.89 1ygw n ASN 84 Ca -0.10 0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.67 1ygw n ASN 84 Cb 0.59 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.72 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 -0.03 3.59 -0.17 -3.83 -0.21 -1.26 -4.92 119.66 112.82 1ygw s GLN 85 Ca 0.00 -0.54 -0.09 0.00 0.02 0.00 0.00 55.36 54.76 1ygw s GLN 85 Cb 0.00 -3.45 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 1ygw s GLN 85 CO 0.00 -0.26 0.12 -1.17 -2.12 0.00 0.00 175.29 171.85 1ygw s LEU 86 N 1.63 4.19 0.00 2.90 0.20 -1.26 -0.89 118.68 125.45 1ygw s LEU 86 Ca 0.06 0.28 0.00 0.00 0.69 0.00 0.00 54.13 55.15 1ygw s LEU 86 Cb -0.16 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1ygw s LEU 86 CO 0.06 0.25 0.00 0.00 -0.29 0.00 0.00 176.35 176.37 1ygw n ALA 87 N 3.04 0.00 -0.56 5.97 0.00 -0.55 -4.86 120.51 123.54 1ygw n ALA 87 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1ygw n ALA 87 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 2.22 1.23 0.00 0.00 0.29 -4.48 105.19 104.45 1ygw n GLY 88 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 2.21 1.12 -0.91 1.61 0.31 -1.08 0.14 118.33 121.73 1ygw n VAL 89 Ca 0.18 -0.16 -0.29 0.00 -0.01 0.00 0.00 64.34 64.06 1ygw n VAL 89 Cb 0.53 -1.10 0.23 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.27 1.71 -0.03 2.52 -0.00 0.81 0.31 121.20 126.79 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 -2.36 0.10 0.00 -0.00 0.00 0.00 42.46 40.20 1ygw s ILE 90 CO 0.00 0.00 0.81 0.28 -0.00 0.00 0.00 174.94 176.03 1ygw s THR 91 N -2.79 0.00 -1.92 8.37 -1.32 0.21 -0.36 115.64 117.82 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 0.58 0.00 0.75 1.41 -2.21 0.00 0.00 174.62 175.15 1ygw n HIS 92 N 0.31 0.00 -1.50 9.09 8.25 -1.06 -2.95 115.22 127.36 1ygw n HIS 92 Ca -0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 1ygw n HIS 92 Cb 0.60 -0.01 -0.14 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 -0.45 0.00 -3.10 1.59 -1.04 -1.26 -2.94 114.28 107.08 1ygw n THR 93 Ca 0.00 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.05 61.34 1ygw n THR 93 Cb 0.02 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.54 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 6.02 -0.16 0.00 3.41 0.00 -1.26 -4.60 105.19 108.60 1ygw n GLY 94 Ca 0.54 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.37 1.31 -0.04 4.61 0.00 -1.15 -4.71 120.51 118.15 1ygw n ALA 95 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ygw n ALA 95 Cb 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.33 -0.04 0.00 0.00 2.88 -1.26 -4.71 113.62 109.16 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 0.03 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.09 1.18 0.46 0.00 -1.26 -4.53 105.19 101.11 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 3.44 -4.70 1.61 4.05 -1.26 -4.90 115.26 113.49 1ygw n ASN 98 Ca 0.00 -2.06 -0.29 0.00 0.45 0.00 0.00 54.58 52.68 1ygw n ASN 98 Cb 0.00 -0.43 0.16 0.00 1.23 0.00 0.00 39.78 40.74 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 -0.97 3.02 0.34 1.20 6.03 -1.26 -5.02 114.94 118.27 1ygw s ASN 99 Ca 0.42 1.25 0.09 0.00 -1.03 0.00 0.00 52.86 53.59 1ygw s ASN 99 Cb 0.23 -1.92 -0.06 0.00 -3.03 0.00 0.00 41.25 36.46 1ygw s ASN 99 CO 0.27 -2.89 -0.09 -0.36 -2.03 0.00 0.00 177.10 172.00 1ygw s PHE 100 N -3.00 2.36 -0.29 1.54 0.08 -1.26 -4.48 117.98 112.94 1ygw s PHE 100 Ca 0.64 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 1ygw s PHE 100 Cb -0.18 -1.36 0.12 0.00 -0.57 0.00 0.00 43.02 41.04 1ygw s PHE 100 CO 0.57 0.56 0.74 0.14 -0.10 0.00 0.00 175.22 177.13 1ygw s VAL 101 N -2.64 -0.53 -0.10 -0.44 -7.23 -1.15 -4.85 120.40 103.46 1ygw s VAL 101 Ca 0.32 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.13 1ygw s VAL 101 Cb 0.03 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.83 1ygw s VAL 101 CO 0.16 0.00 1.74 -1.84 -0.31 0.00 0.00 175.10 174.85 1ygw n GLU 102 N 4.87 1.74 -0.50 4.82 0.28 -1.26 -0.62 120.64 129.96 1ygw n GLU 102 Ca -0.15 0.63 -0.16 0.00 -0.16 0.00 0.00 57.16 57.33 1ygw n GLU 102 Cb 0.53 -2.40 0.15 0.00 1.43 0.00 0.00 31.44 31.16 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97