#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 5.30 0.01 -3.77 0.00 9.92 -1.26 -4.68 116.55 122.07 1ygw n ASP 3 Ca -0.10 -0.12 -0.30 0.00 -0.53 0.00 0.00 54.79 53.74 1ygw n ASP 3 Cb 0.50 0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 41.08 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 -0.24 2.12 -0.46 1.24 2.02 -1.24 -4.77 117.35 116.01 1ygw s TYR 4 Ca 0.00 -2.21 -0.13 0.00 -0.37 0.00 0.00 57.07 54.36 1ygw s TYR 4 Cb 0.00 -1.97 0.09 0.00 -0.40 0.00 0.00 41.96 39.68 1ygw s TYR 4 CO 0.00 -0.85 0.35 0.99 -1.57 0.00 0.00 175.55 174.48 1ygw s THR 5 N 0.98 4.76 -1.47 -0.71 2.01 -1.23 -2.68 115.64 117.30 1ygw s THR 5 Ca 0.13 -1.31 -0.12 0.00 0.31 0.00 0.00 61.69 60.70 1ygw s THR 5 Cb -0.21 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1ygw s THR 5 CO -0.12 -0.61 2.36 0.00 -0.69 0.00 0.00 174.62 175.56 1ygw n GLY 7 N 3.65 0.81 2.55 0.00 0.00 -1.26 -3.95 105.19 106.99 1ygw n GLY 7 Ca 0.57 -0.01 -0.18 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 1.86 2.50 -2.50 1.61 3.41 -1.26 -5.07 113.62 114.17 1ygw n SER 8 Ca 0.00 -3.16 -0.13 0.00 -0.26 0.00 0.00 58.87 55.32 1ygw n SER 8 Cb 0.00 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 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 -0.11 -0.54 -2.66 4.04 3.02 -1.25 -5.00 115.26 112.75 1ygw n ASN 9 Ca 0.23 -2.47 -0.03 0.00 -0.03 0.00 0.00 54.58 52.27 1ygw n ASN 9 Cb 0.68 1.22 0.08 0.00 -0.61 0.00 0.00 39.78 41.15 1ygw n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ygw s TYR 11 N 0.04 2.94 1.35 0.00 -0.85 -1.09 -4.34 117.35 115.41 1ygw s TYR 11 Ca 0.16 -2.49 -0.21 0.00 -0.52 0.00 0.00 57.07 54.01 1ygw s TYR 11 Cb 0.24 -2.43 0.34 0.00 0.38 0.00 0.00 41.96 40.49 1ygw s TYR 11 CO -0.16 -0.92 0.98 -1.54 -1.52 0.00 0.00 175.55 172.40 1ygw s SER 12 N 1.19 -0.46 0.48 -0.18 1.04 -1.24 -3.64 113.70 110.89 1ygw s SER 12 Ca 0.10 0.82 0.18 0.00 0.48 0.00 0.00 55.95 57.54 1ygw s SER 12 Cb -0.18 -1.16 1.00 0.00 0.10 0.00 0.00 66.02 65.78 1ygw s SER 12 CO -0.15 -4.99 1.51 0.77 0.98 0.00 0.00 173.24 171.36 1ygw h SER 13 N -3.17 0.00 0.99 7.02 4.64 -1.95 1.65 113.55 122.73 1ygw h SER 13 Ca -0.45 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.67 1ygw h SER 13 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ygw h SER 13 CO 0.31 0.00 -1.05 -1.28 -0.87 0.00 0.00 176.83 173.94 1ygw h SER 14 N 0.00 0.00 0.18 4.97 0.87 -1.95 -3.01 113.55 114.60 1ygw h SER 14 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 1ygw h SER 14 Cb 0.73 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1ygw h SER 14 CO 0.00 0.88 -1.50 0.44 -0.53 0.00 0.00 176.83 176.12 1ygw h ASP 15 N 0.00 0.59 -0.56 6.23 5.19 0.21 -3.34 116.42 124.75 1ygw h ASP 15 Ca -0.06 -0.92 0.07 0.00 -0.62 0.00 0.00 57.03 55.50 1ygw h ASP 15 Cb 1.73 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.99 1ygw h ASP 15 CO 0.10 1.69 0.23 0.58 -3.12 0.00 0.00 179.24 178.72 1ygw h VAL 16 N -0.05 0.85 -0.84 -1.35 2.07 -1.10 -1.86 116.25 113.97 1ygw h VAL 16 Ca -0.29 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.24 1ygw h VAL 16 Cb 1.98 0.37 -0.15 0.00 -1.52 0.00 0.00 31.29 31.96 1ygw h VAL 16 CO 0.17 0.08 -0.23 -0.24 0.02 0.00 0.00 177.57 177.36 1ygw n SER 17 N -4.95 -0.35 -0.04 0.57 2.88 -1.14 0.12 113.62 110.71 1ygw n SER 17 Ca 0.07 1.45 -0.10 0.00 -1.33 0.00 0.00 58.87 58.96 1ygw n SER 17 Cb 0.21 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 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 0.27 -0.84 2.46 2.02 -1.51 0.49 112.91 115.81 1ygw h THR 18 Ca 0.38 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.62 1ygw h THR 18 Cb 0.59 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1ygw h THR 18 CO -0.86 0.00 0.52 0.00 0.37 0.00 0.00 175.52 175.56 1ygw h ALA 19 N 0.55 1.14 0.37 6.16 0.00 0.82 -2.46 119.26 125.83 1ygw h ALA 19 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ygw h ALA 19 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ygw h ALA 19 CO -0.42 0.29 -0.27 1.96 0.00 0.00 0.00 179.25 180.81 1ygw h GLN 20 N 0.97 -0.61 -1.04 0.00 4.20 0.14 -1.53 115.11 117.24 1ygw h GLN 20 Ca 0.36 0.04 0.37 0.00 0.06 0.00 0.00 58.65 59.48 1ygw h GLN 20 Cb 0.13 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 27.93 1ygw h GLN 20 CO -0.16 -0.41 0.65 0.00 -0.67 0.00 0.00 178.83 178.24 1ygw n ALA 21 N -2.50 1.03 0.01 3.87 0.00 0.15 0.23 120.51 123.30 1ygw n ALA 21 Ca -0.10 0.72 -0.11 0.00 0.00 0.00 0.00 53.44 53.95 1ygw n ALA 21 Cb 0.30 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 1.33 -0.12 -0.98 0.00 0.00 -1.26 -0.97 119.26 117.26 1ygw h ALA 22 Ca 0.70 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.52 1ygw h ALA 22 Cb 2.17 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.89 1ygw h ALA 22 CO -0.42 -0.19 0.58 0.78 0.00 0.00 0.00 179.25 179.99 1ygw h GLY 23 N -0.87 1.73 0.04 0.00 0.00 0.35 -0.01 103.07 104.32 1ygw h GLY 23 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1ygw h GLY 23 CO 0.02 -0.08 -0.02 -1.82 0.00 0.00 0.00 176.54 174.64 1ygw h TYR 24 N 0.72 -0.05 -0.76 5.60 3.20 -0.12 0.45 116.97 126.01 1ygw h TYR 24 Ca 0.57 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.54 1ygw h TYR 24 Cb 0.89 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.07 1ygw h TYR 24 CO -0.02 -0.03 -0.34 1.17 -1.64 0.00 0.00 178.16 177.29 1ygw n LYS 25 N -2.35 -0.23 0.01 1.82 0.00 -0.37 0.42 118.16 117.46 1ygw n LYS 25 Ca -0.01 1.16 -0.00 0.00 0.00 0.00 0.00 58.31 59.46 1ygw n LYS 25 Cb 0.02 -1.72 0.29 0.00 0.00 0.00 0.00 35.03 33.63 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 0.47 -0.00 3.14 5.85 -1.11 -2.09 115.31 121.57 1ygw h LEU 26 Ca 0.22 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ygw h LEU 26 Cb 0.41 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ygw h LEU 26 CO -0.74 0.57 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.19 1ygw h HIS 27 N 0.48 0.01 -0.34 1.25 2.76 1.07 -0.21 115.15 120.16 1ygw h HIS 27 Ca 0.10 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.37 1ygw h HIS 27 Cb 0.38 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1ygw h HIS 27 CO 0.01 0.37 0.30 0.93 -1.30 0.00 0.00 177.93 178.24 1ygw h GLU 28 N -0.36 0.00 0.00 5.26 5.08 0.42 0.92 114.58 125.90 1ygw h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ygw h GLU 28 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ygw h GLU 28 CO 0.00 0.00 -0.61 -0.44 -1.00 0.00 0.00 179.01 176.96 1ygw h ASP 29 N 0.00 0.00 -1.20 1.42 3.32 -1.02 -3.48 116.42 115.46 1ygw h ASP 29 Ca 0.16 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 1ygw h ASP 29 Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1ygw h ASP 29 CO -0.00 0.06 -0.25 0.61 -1.72 0.00 0.00 179.24 177.93 1ygw n GLY 30 N 1.26 0.32 3.84 2.75 0.00 0.32 -5.02 105.19 108.67 1ygw n GLY 30 Ca 0.03 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.03 2.42 0.43 1.61 0.41 -0.42 -5.02 118.70 114.10 1ygw s GLU 31 Ca 0.00 -1.67 0.04 0.00 -0.41 0.00 0.00 54.97 52.93 1ygw s GLU 31 Cb 0.00 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.05 1ygw s GLU 31 CO 0.00 -0.22 0.03 0.95 -0.49 0.00 0.00 175.26 175.53 1ygw s THR 32 N -2.54 1.48 -0.23 3.63 -4.23 -1.26 -4.24 115.64 108.26 1ygw s THR 32 Ca 0.45 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1ygw s THR 32 Cb -0.01 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1ygw s THR 32 CO 0.26 0.00 0.08 0.68 -0.54 0.00 0.00 174.62 175.10 1ygw s VAL 33 N -2.90 4.59 0.00 2.29 -7.23 -0.53 -4.90 120.40 111.73 1ygw s VAL 33 Ca 0.25 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1ygw s VAL 33 Cb 0.06 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1ygw s VAL 33 CO 0.12 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1ygw n GLY 34 N 4.51 0.00 0.00 2.32 0.00 0.31 -3.60 105.19 108.73 1ygw n GLY 34 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 -1.96 1.61 7.64 -1.26 -3.32 113.62 116.33 1ygw n SER 35 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ygw n SER 35 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -2.09 6.43 3.02 -1.26 -4.82 115.26 116.55 1ygw n ASN 36 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 1ygw n ASN 36 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1ygw n ASN 36 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ygw n SER 37 N 0.00 5.92 -4.78 6.41 3.41 -1.26 -4.47 113.62 118.85 1ygw n SER 37 Ca 0.00 -3.77 -0.39 0.00 -0.26 0.00 0.00 58.87 54.46 1ygw n SER 37 Cb 0.00 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 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 -3.66 3.85 0.86 7.33 1.51 -1.26 -3.79 117.35 122.20 1ygw s TYR 38 Ca 0.57 1.67 -0.15 0.00 -1.01 0.00 0.00 57.07 58.16 1ygw s TYR 38 Cb 0.46 -2.81 0.21 0.00 -0.11 0.00 0.00 41.96 39.71 1ygw s TYR 38 CO 0.01 0.43 0.94 -0.35 -1.11 0.00 0.00 175.55 175.48 1ygw n PRO 39 N 1.29 -1.84 -3.61 -1.71 -0.04 -1.26 -1.45 135.00 126.38 1ygw n PRO 39 Ca -0.03 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1ygw n PRO 39 Cb 0.49 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.90 -0.06 1.04 0.54 -3.43 -1.17 -4.92 115.29 104.40 1ygw s HIS 40 Ca 0.57 -0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.58 1ygw s HIS 40 Cb -0.03 0.53 -0.07 0.00 -1.43 0.00 0.00 32.58 31.58 1ygw s HIS 40 CO 0.42 -0.21 -0.82 1.17 -2.00 0.00 0.00 174.74 173.29 1ygw n LYS 41 N -0.36 -0.62 -0.13 -0.38 3.00 -1.26 0.14 118.16 118.55 1ygw n LYS 41 Ca -0.06 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1ygw n LYS 41 Cb 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 -3.78 0.00 0.00 5.64 4.19 0.82 -3.81 117.16 120.22 1ygw n TYR 42 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1ygw n TYR 42 Cb 0.68 0.10 0.00 0.00 0.49 0.00 0.00 39.34 40.61 1ygw n TYR 42 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ygw n ASN 43 N 0.00 0.00 -3.67 2.98 3.02 -1.26 -4.73 115.26 111.61 1ygw n ASN 43 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1ygw n ASN 43 Cb 0.52 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.98 1ygw n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ygw s ASN 44 N 0.00 -0.88 0.00 6.41 4.22 -1.26 -4.90 114.94 118.52 1ygw s ASN 44 Ca 0.00 1.06 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1ygw s ASN 44 Cb 0.00 -1.56 0.00 0.00 1.28 0.00 0.00 41.25 40.97 1ygw s ASN 44 CO 0.00 -5.28 0.00 -1.22 -2.04 0.00 0.00 177.10 168.56 1ygw n TYR 45 N -5.60 0.00 0.20 1.54 4.02 -1.26 -4.94 117.16 111.11 1ygw n TYR 45 Ca 0.10 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.08 1ygw n TYR 45 Cb 0.58 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.14 1ygw n TYR 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ygw h GLU 46 N 0.00 0.00 0.00 -0.72 4.39 -1.93 -3.40 114.58 112.91 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 -1.51 0.62 3.75 -3.84 0.00 -1.26 -5.13 105.19 97.83 1ygw n GLY 47 Ca 0.05 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.12 3.44 -1.08 1.61 0.08 -1.26 -5.02 117.98 115.63 1ygw s PHE 48 Ca 0.00 0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 1ygw s PHE 48 Cb 0.00 -2.10 0.31 0.00 -0.57 0.00 0.00 43.02 40.65 1ygw s PHE 48 CO 0.00 0.38 1.51 -0.25 -0.10 0.00 0.00 175.22 176.76 1ygw n ASP 49 N 3.18 6.47 -4.65 1.36 9.92 -1.26 -4.92 116.55 126.64 1ygw n ASP 49 Ca -0.17 -3.43 -0.43 0.00 -0.53 0.00 0.00 54.79 50.24 1ygw n ASP 49 Cb 0.53 -1.27 -0.02 0.00 -0.64 0.00 0.00 41.12 39.71 1ygw n ASP 49 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1ygw s PHE 50 N -2.83 2.49 -0.46 1.24 0.08 -1.26 -4.86 117.98 112.39 1ygw s PHE 50 Ca 0.31 0.72 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1ygw s PHE 50 Cb 0.06 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1ygw s PHE 50 CO 0.10 -2.42 0.63 -1.13 -0.10 0.00 0.00 175.22 172.30 1ygw n SER 51 N 7.21 1.70 -4.12 1.36 3.41 -1.26 -4.70 113.62 117.23 1ygw n SER 51 Ca 0.16 -1.63 -0.18 0.00 -0.26 0.00 0.00 58.87 56.96 1ygw n SER 51 Cb 0.45 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.36 0.93 0.05 -3.33 -7.23 -1.26 -5.04 120.40 104.17 1ygw s VAL 52 Ca 0.00 -1.03 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1ygw s VAL 52 Cb 0.00 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 1ygw s VAL 52 CO 0.00 -0.12 0.72 -0.44 -0.31 0.00 0.00 175.10 174.94 1ygw s SER 53 N -1.30 7.18 1.00 4.85 0.01 -1.26 -5.01 113.70 119.16 1ygw s SER 53 Ca -0.02 1.40 -0.24 0.00 1.31 0.00 0.00 55.95 58.40 1ygw s SER 53 Cb -0.08 -2.44 -0.18 0.00 0.21 0.00 0.00 66.02 63.52 1ygw s SER 53 CO 0.01 0.08 -1.29 -1.54 0.41 0.00 0.00 173.24 170.91 1ygw n SER 54 N 2.53 -4.09 -3.95 2.44 3.41 -1.26 -4.50 113.62 108.19 1ygw n SER 54 Ca -0.04 0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 1ygw n SER 54 Cb 0.50 -0.59 0.21 0.00 -0.26 0.00 0.00 64.21 64.07 1ygw n SER 54 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ygw s PRO 55 N -1.99 -0.32 -0.29 4.33 0.04 -1.26 -4.69 135.00 130.81 1ygw s PRO 55 Ca 0.37 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.17 1ygw s PRO 55 Cb 0.01 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.89 1ygw s PRO 55 CO 0.72 -3.08 -0.03 0.71 0.04 0.00 0.00 177.00 175.36 1ygw s TYR 56 N -3.46 3.37 -0.23 0.56 2.02 -1.26 -2.83 117.35 115.51 1ygw s TYR 56 Ca 0.73 -2.30 -0.15 0.00 -0.37 0.00 0.00 57.07 54.98 1ygw s TYR 56 Cb -0.06 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1ygw s TYR 56 CO 0.54 -0.87 0.38 0.71 -1.57 0.00 0.00 175.55 174.74 1ygw s TYR 57 N 1.12 3.32 -0.19 2.71 2.02 5.88 0.28 117.35 132.50 1ygw s TYR 57 Ca -0.04 0.53 -0.17 0.00 -0.37 0.00 0.00 57.07 57.02 1ygw s TYR 57 Cb -0.20 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 1ygw s TYR 57 CO -0.04 -0.09 0.43 -1.83 -1.57 0.00 0.00 175.55 172.45 1ygw s GLU 58 N 1.59 4.21 0.01 -0.62 -1.05 0.37 0.19 118.70 123.40 1ygw s GLU 58 Ca 0.17 0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 55.23 1ygw s GLU 58 Cb -0.15 -3.52 -0.01 0.00 -0.44 0.00 0.00 34.13 30.01 1ygw s GLU 58 CO 0.08 -0.02 0.06 -0.46 0.95 0.00 0.00 175.26 175.87 1ygw s TRP 59 N 1.25 0.16 0.52 4.83 -0.11 0.47 -3.03 118.94 123.03 1ygw s TRP 59 Ca 0.21 -0.36 -0.18 0.00 1.22 0.00 0.00 56.10 56.99 1ygw s TRP 59 Cb -0.15 -0.12 -0.07 0.00 -1.50 0.00 0.00 33.47 31.63 1ygw s TRP 59 CO 0.08 -0.26 1.04 -1.25 -4.62 0.00 0.00 176.95 171.95 1ygw s PRO 60 N -1.62 3.64 -0.23 5.86 0.04 -1.26 0.59 135.00 142.02 1ygw s PRO 60 Ca -0.14 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1ygw s PRO 60 Cb -0.07 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1ygw s PRO 60 CO -0.00 -0.55 -0.13 -1.50 0.04 0.00 0.00 177.00 174.85 1ygw s ILE 61 N -2.18 2.24 -0.27 0.56 2.07 -1.06 -4.45 121.20 118.11 1ygw s ILE 61 Ca 0.66 -1.33 -0.25 0.00 -1.41 0.00 0.00 60.65 58.31 1ygw s ILE 61 Cb -0.16 -2.18 0.00 0.00 0.13 0.00 0.00 42.46 40.26 1ygw s ILE 61 CO 0.26 0.18 0.87 -0.76 -1.91 0.00 0.00 174.94 173.59 1ygw s LEU 62 N 1.19 4.07 0.28 8.50 1.43 -1.26 -4.67 118.68 128.22 1ygw s LEU 62 Ca -0.03 0.97 0.14 0.00 -1.03 0.00 0.00 54.13 54.18 1ygw s LEU 62 Cb -0.17 -3.24 0.75 0.00 0.03 0.00 0.00 46.19 43.55 1ygw s LEU 62 CO -0.07 -0.61 1.34 -0.24 0.23 0.00 0.00 176.35 177.00 1ygw n SER 63 N 6.21 0.36 0.04 2.29 2.88 -1.26 0.22 113.62 124.34 1ygw n SER 63 Ca 0.07 0.59 0.12 0.00 -1.33 0.00 0.00 58.87 58.32 1ygw n SER 63 Cb 0.47 -0.58 0.26 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.01 0.56 -0.34 -3.46 7.64 -1.26 -4.94 113.62 109.81 1ygw n SER 64 Ca -0.01 0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.92 1ygw n SER 64 Cb 0.21 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 1.41 0.57 0.28 0.23 0.00 0.58 -5.06 105.19 103.20 1ygw n GLY 65 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 1.59 1.00 -4.20 1.61 8.00 -1.25 -4.87 116.55 118.43 1ygw n ASP 66 Ca -0.01 -1.14 -0.35 0.00 0.71 0.00 0.00 54.79 54.01 1ygw n ASP 66 Cb 0.51 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.46 1ygw n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ygw s VAL 67 N -0.08 3.06 0.91 2.53 1.01 -1.26 -4.34 120.40 122.23 1ygw s VAL 67 Ca 0.03 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1ygw s VAL 67 Cb -0.00 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.58 1ygw s VAL 67 CO 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 175.10 174.60 1ygw n TYR 68 N 4.66 -4.31 -0.03 5.22 9.36 -1.26 -4.91 117.16 125.89 1ygw n TYR 68 Ca -0.14 0.08 0.02 0.00 3.32 0.00 0.00 57.90 61.17 1ygw n TYR 68 Cb 0.45 -1.53 -0.15 0.00 -0.63 0.00 0.00 39.34 37.48 1ygw n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ygw n SER 69 N 2.68 0.14 0.00 2.98 3.41 -1.26 -4.93 113.62 116.64 1ygw n SER 69 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1ygw n SER 69 Cb 0.54 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 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 1.46 3.88 0.00 5.00 0.00 -1.21 0.12 105.19 114.44 1ygw n GLY 70 Ca -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.40 0.99 3.43 -0.02 0.00 -1.25 -4.65 105.19 102.30 1ygw n GLY 71 Ca 0.00 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 1ygw n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ygw s SER 72 N -4.00 6.21 0.00 1.61 0.01 -1.26 -4.80 113.70 111.47 1ygw s SER 72 Ca 0.00 -1.20 0.13 0.00 1.31 0.00 0.00 55.95 56.19 1ygw s SER 72 Cb 0.00 -2.38 0.79 0.00 0.21 0.00 0.00 66.02 64.64 1ygw s SER 72 CO 0.00 -1.32 1.32 -0.81 0.41 0.00 0.00 173.24 172.85 1ygw n PRO 73 N 7.20 0.75 0.00 12.44 -0.04 -1.26 -4.95 135.00 149.14 1ygw n PRO 73 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ygw n PRO 73 Cb 0.45 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1ygw n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ygw n GLY 74 N 0.38 1.25 0.13 0.55 0.00 -1.26 -4.58 105.19 101.66 1ygw n GLY 74 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.02 1.88 -1.83 4.61 0.00 -1.26 -4.75 120.51 119.19 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 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.95 6.49 -0.06 0.00 1.01 -1.26 -1.17 116.67 118.72 1ygw s ASP 76 Ca 0.00 2.78 -0.16 0.00 0.71 0.00 0.00 52.55 55.88 1ygw s ASP 76 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1ygw s ASP 76 CO 0.00 -0.87 0.37 -0.13 0.21 0.00 0.00 175.17 174.75 1ygw s ARG 77 N 0.52 0.63 -0.09 8.23 1.81 0.19 -2.57 118.95 127.66 1ygw s ARG 77 Ca 0.68 0.08 0.01 0.00 -1.72 0.00 0.00 55.73 54.79 1ygw s ARG 77 Cb -0.46 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.31 1ygw s ARG 77 CO 0.37 -0.15 -0.13 0.54 -0.68 0.00 0.00 175.30 175.25 1ygw s VAL 78 N -0.82 3.14 -0.10 3.52 0.11 2.49 -1.00 120.40 127.75 1ygw s VAL 78 Ca -0.09 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1ygw s VAL 78 Cb -0.04 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1ygw s VAL 78 CO 0.04 0.56 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.58 1ygw s VAL 79 N -0.19 3.48 0.15 2.04 1.01 -1.25 0.18 120.40 125.82 1ygw s VAL 79 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1ygw s VAL 79 Cb -0.13 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1ygw s VAL 79 CO 0.03 0.55 0.39 0.72 0.00 0.00 0.00 175.10 176.80 1ygw s PHE 80 N -0.19 -0.01 0.00 5.22 -0.71 0.50 1.00 117.98 123.79 1ygw s PHE 80 Ca 0.02 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 55.57 1ygw s PHE 80 Cb -0.13 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1ygw s PHE 80 CO 0.03 -0.76 0.00 0.27 -1.34 0.00 0.00 175.22 173.42 1ygw n ASN 81 N -0.24 0.00 -0.23 1.98 0.23 -1.13 0.94 115.26 116.80 1ygw n ASN 81 Ca -0.12 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.87 1ygw n ASN 81 Cb 0.63 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.27 1ygw n ASN 81 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ygw n GLU 82 N 0.00 -0.24 0.00 -3.83 2.13 -1.26 -4.65 120.64 112.79 1ygw n GLU 82 Ca 0.00 1.19 0.00 0.00 0.66 0.00 0.00 57.16 59.01 1ygw n GLU 82 Cb 0.00 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 29.95 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 -4.26 0.00 -1.13 4.31 2.04 -1.26 -4.91 115.26 110.05 1ygw n ASN 83 Ca 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.14 1ygw n ASN 83 Cb 0.14 0.10 0.11 0.00 -2.53 0.00 0.00 39.78 37.60 1ygw n ASN 83 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ygw n ASN 84 N -1.24 2.83 -1.18 0.53 0.23 -1.26 -4.22 115.26 110.95 1ygw n ASN 84 Ca 0.00 -2.39 -0.04 0.00 -0.53 0.00 0.00 54.58 51.62 1ygw n ASN 84 Cb 0.00 -0.58 0.03 0.00 -2.08 0.00 0.00 39.78 37.15 1ygw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ygw n GLN 85 N 0.12 1.25 -0.56 -3.83 -0.00 -1.26 -4.94 117.38 108.16 1ygw n GLN 85 Ca 0.13 -0.53 -0.24 0.00 -0.00 0.00 0.00 57.00 56.36 1ygw n GLN 85 Cb 0.68 -1.24 -0.04 0.00 -0.00 0.00 0.00 30.24 29.64 1ygw n GLN 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ygw n LEU 86 N 0.20 0.37 -0.06 2.61 7.94 -1.25 -3.73 117.00 123.08 1ygw n LEU 86 Ca 0.10 0.35 -0.12 0.00 -1.11 0.00 0.00 56.01 55.23 1ygw n LEU 86 Cb 0.69 -0.34 0.01 0.00 0.53 0.00 0.00 43.42 44.31 1ygw n LEU 86 CO 0.10 -0.30 0.50 0.00 -1.11 0.00 0.00 177.39 176.58 1ygw h ALA 87 N 2.66 0.61 0.00 1.96 0.00 5.10 -3.42 119.26 126.17 1ygw h ALA 87 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ygw h ALA 87 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ygw h ALA 87 CO 0.39 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1ygw n GLY 88 N 0.22 -0.68 2.74 0.00 0.00 -1.18 -4.08 105.19 102.21 1ygw n GLY 88 Ca -0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.53 -0.30 0.61 1.61 1.01 -1.26 -3.99 120.40 115.55 1ygw s VAL 89 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1ygw s VAL 89 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1ygw s VAL 89 CO 0.00 -0.61 0.92 0.27 0.00 0.00 0.00 175.10 175.68 1ygw s ILE 90 N 1.44 3.49 -0.08 2.22 -4.36 -0.17 0.56 121.20 124.31 1ygw s ILE 90 Ca 0.17 -0.01 -0.23 0.00 -0.26 0.00 0.00 60.65 60.32 1ygw s ILE 90 Cb -0.16 -3.40 0.05 0.00 1.25 0.00 0.00 42.46 40.20 1ygw s ILE 90 CO -0.04 -0.42 0.53 0.28 0.24 0.00 0.00 174.94 175.53 1ygw s THR 91 N -3.03 0.02 -2.00 8.37 -1.32 0.77 -0.64 115.64 117.81 1ygw s THR 91 Ca 0.55 -0.15 0.02 0.00 -1.21 0.00 0.00 61.69 60.90 1ygw s THR 91 Cb -0.11 -0.82 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 1ygw s THR 91 CO 0.45 -0.08 0.60 1.41 -2.21 0.00 0.00 174.62 174.79 1ygw n HIS 92 N 1.53 0.00 -0.94 9.09 8.25 -0.32 -2.77 115.22 130.05 1ygw n HIS 92 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 1ygw n HIS 92 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.56 0.00 0.00 1.59 -1.04 -1.26 -3.82 114.28 109.19 1ygw n THR 93 Ca 0.01 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1ygw n THR 93 Cb 0.01 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 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 4.27 0.50 1.49 3.41 0.00 -1.26 -4.54 105.19 109.06 1ygw n GLY 94 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -0.32 -1.25 4.61 0.00 -1.25 0.54 120.51 122.84 1ygw n ALA 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1ygw n ALA 95 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 0.19 -4.27 0.00 0.00 2.88 -1.26 -3.99 113.62 107.17 1ygw n SER 96 Ca -0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ygw n SER 96 Cb 0.16 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.10 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 -1.62 0.13 1.02 0.46 0.00 2.14 -4.82 105.19 102.50 1ygw n GLY 97 Ca -0.09 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.45 1ygw n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ygw n ASN 98 N 0.00 2.98 -3.70 1.61 4.05 -1.26 -4.53 115.26 114.42 1ygw n ASN 98 Ca 0.00 -1.95 0.00 0.00 0.45 0.00 0.00 54.58 53.08 1ygw n ASN 98 Cb 0.00 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1ygw n ASN 98 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ygw n ASN 99 N 1.15 0.00 -4.11 1.20 3.02 -1.26 -5.00 115.26 110.26 1ygw n ASN 99 Ca 0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1ygw n ASN 99 Cb 0.50 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 1ygw n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ygw s PHE 100 N 0.00 0.77 -0.28 3.10 0.08 -1.26 -4.56 117.98 115.83 1ygw s PHE 100 Ca 0.00 -1.13 -0.21 0.00 0.12 0.00 0.00 56.93 55.71 1ygw s PHE 100 Cb 0.00 -0.38 0.10 0.00 -0.57 0.00 0.00 43.02 42.17 1ygw s PHE 100 CO 0.00 -0.58 0.84 0.14 -0.10 0.00 0.00 175.22 175.52 1ygw s VAL 101 N -4.04 0.00 0.07 -0.44 -7.23 -1.11 -4.83 120.40 102.82 1ygw s VAL 101 Ca 0.24 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.07 1ygw s VAL 101 Cb 0.06 -1.00 -0.13 0.00 0.56 0.00 0.00 36.38 35.88 1ygw s VAL 101 CO 0.02 0.00 1.72 -0.62 -0.31 0.00 0.00 175.10 175.92 1ygw n GLU 102 N 3.13 2.28 0.00 4.82 1.02 -1.25 -0.17 120.64 130.47 1ygw n GLU 102 Ca -0.16 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1ygw n GLU 102 Cb 0.57 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1ygw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31