#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywl n GLU 2 N 0.00 -0.41 -3.83 0.03 -0.58 -1.26 -4.93 120.64 109.66 1ywl n GLU 2 Ca 0.00 -0.11 -0.36 0.00 -0.42 0.00 0.00 57.16 56.27 1ywl n GLU 2 Cb 0.00 -1.36 -0.12 0.00 -0.57 0.00 0.00 31.44 29.39 1ywl n GLU 2 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ywl s ASN 3 N -1.43 5.35 -0.10 1.62 0.01 -1.26 -4.93 114.94 114.19 1ywl s ASN 3 Ca 0.47 -0.11 0.24 0.00 -0.71 0.00 0.00 52.86 52.75 1ywl s ASN 3 Cb -0.11 -1.95 0.45 0.00 0.41 0.00 0.00 41.25 40.05 1ywl s ASN 3 CO 0.72 0.02 1.15 1.17 -1.51 0.00 0.00 177.10 178.65 1ywl n LYS 4 N 4.53 0.68 -3.45 -0.60 4.81 -1.26 -2.07 118.16 120.79 1ywl n LYS 4 Ca -0.16 -2.52 -0.13 0.00 -0.87 0.00 0.00 58.31 54.63 1ywl n LYS 4 Cb 0.52 -0.58 -0.03 0.00 0.02 0.00 0.00 35.03 34.96 1ywl n LYS 4 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ywl s LYS 5 N -1.43 1.16 1.65 1.64 2.36 -1.26 -5.09 119.74 118.78 1ywl s LYS 5 Ca 0.30 -0.29 0.00 0.00 -2.55 0.00 0.00 55.97 53.43 1ywl s LYS 5 Cb 0.35 0.54 0.00 0.00 -1.05 0.00 0.00 37.83 37.67 1ywl s LYS 5 CO -0.12 -0.48 0.00 0.43 1.55 0.00 0.00 175.35 176.74 1ywl n SER 6 N -0.07 -3.93 -3.85 1.43 7.64 -1.26 -4.70 113.62 108.89 1ywl n SER 6 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.44 1ywl n SER 6 Cb 0.63 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.66 1ywl n SER 6 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1ywl s HIS 7 N 0.00 1.58 -0.14 1.43 3.76 -0.99 -4.51 115.29 116.43 1ywl s HIS 7 Ca 0.00 -1.11 -0.19 0.00 -0.15 0.00 0.00 55.06 53.61 1ywl s HIS 7 Cb 0.00 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 1ywl s HIS 7 CO 0.00 -0.63 0.52 0.71 -0.85 0.00 0.00 174.74 174.48 1ywl s TYR 8 N 1.67 3.48 -0.33 1.40 1.51 -0.95 -2.07 117.35 122.05 1ywl s TYR 8 Ca -0.01 0.90 -0.20 0.00 -1.01 0.00 0.00 57.07 56.75 1ywl s TYR 8 Cb -0.16 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1ywl s TYR 8 CO -0.07 0.08 0.59 0.12 -1.11 0.00 0.00 175.55 175.16 1ywl s PHE 9 N 0.96 3.19 -0.08 2.71 2.19 0.67 -2.24 117.98 125.38 1ywl s PHE 9 Ca 0.27 0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.93 1ywl s PHE 9 Cb -0.15 -3.00 0.02 0.00 -1.31 0.00 0.00 43.02 38.58 1ywl s PHE 9 CO 0.11 -0.53 -0.07 1.52 1.83 0.00 0.00 175.22 178.08 1ywl s TYR 10 N 2.56 1.21 -0.07 10.12 -0.85 -0.79 -1.27 117.35 128.26 1ywl s TYR 10 Ca 0.23 -0.50 -0.11 0.00 -0.52 0.00 0.00 57.07 56.17 1ywl s TYR 10 Cb -0.15 -1.01 -0.05 0.00 0.38 0.00 0.00 41.96 41.13 1ywl s TYR 10 CO 0.13 -0.36 0.28 0.08 -1.52 0.00 0.00 175.55 174.16 1ywl s VAL 11 N 1.31 5.26 0.05 -3.49 1.01 -1.25 -1.45 120.40 121.84 1ywl s VAL 11 Ca -0.03 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.53 1ywl s VAL 11 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ywl s VAL 11 CO -0.03 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1ywl s LEU 12 N -0.86 3.18 0.07 3.92 2.01 -0.24 -3.31 118.68 123.46 1ywl s LEU 12 Ca 0.19 -0.22 0.08 0.00 0.01 0.00 0.00 54.13 54.19 1ywl s LEU 12 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1ywl s LEU 12 CO 0.08 0.23 -0.18 -0.22 1.01 0.00 0.00 176.35 177.28 1ywl s LEU 13 N -1.81 2.65 0.00 1.79 0.20 -0.38 -1.95 118.68 119.19 1ywl s LEU 13 Ca 0.20 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.56 1ywl s LEU 13 Cb -0.11 -1.53 0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1ywl s LEU 13 CO 0.11 0.22 0.18 0.00 -0.29 0.00 0.00 176.35 176.57 1ywl h GLN 15 N 0.00 -0.67 -1.09 0.00 1.08 -1.93 -1.83 115.11 110.66 1ywl h GLN 15 Ca -0.35 0.05 0.32 0.00 -1.45 0.00 0.00 58.65 57.21 1ywl h GLN 15 Cb 1.16 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 1ywl h GLN 15 CO 0.57 -0.45 0.82 0.22 -0.95 0.00 0.00 178.83 179.04 1ywl h ASP 16 N -0.70 0.00 0.00 1.46 3.58 -1.99 -3.43 116.42 115.34 1ywl h ASP 16 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1ywl h ASP 16 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1ywl h ASP 16 CO 0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1ywl n GLY 17 N -1.74 1.46 3.84 -0.78 0.00 -0.69 -5.11 105.19 102.17 1ywl n GLY 17 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1ywl n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ywl s SER 18 N -2.00 5.33 -0.15 1.61 0.15 -1.26 -4.77 113.70 112.61 1ywl s SER 18 Ca 0.00 1.40 0.01 0.00 0.70 0.00 0.00 55.95 58.07 1ywl s SER 18 Cb 0.00 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1ywl s SER 18 CO 0.00 -1.45 -0.19 -0.36 1.20 0.00 0.00 173.24 172.45 1ywl s PHE 19 N -3.16 2.48 -0.27 3.44 0.08 -1.26 -3.01 117.98 116.27 1ywl s PHE 19 Ca 0.58 -1.34 0.00 0.00 0.12 0.00 0.00 56.93 56.29 1ywl s PHE 19 Cb -0.13 -1.74 0.15 0.00 -0.57 0.00 0.00 43.02 40.73 1ywl s PHE 19 CO 0.54 -0.66 0.38 -0.47 -0.10 0.00 0.00 175.22 174.91 1ywl s TYR 20 N 1.13 -0.88 0.39 0.36 6.14 -0.82 -4.97 117.35 118.70 1ywl s TYR 20 Ca -0.01 0.43 0.08 0.00 0.64 0.00 0.00 57.07 58.21 1ywl s TYR 20 Cb -0.14 -0.14 -0.05 0.00 0.42 0.00 0.00 41.96 42.05 1ywl s TYR 20 CO -0.07 -0.89 0.17 0.20 0.64 0.00 0.00 175.55 175.60 1ywl s GLY 21 N 2.52 2.21 0.22 8.97 0.00 -1.26 -1.08 107.32 118.90 1ywl s GLY 21 Ca 0.11 -2.02 -0.10 0.00 0.00 0.00 0.00 44.72 42.71 1ywl s GLY 21 CO -0.26 -1.87 0.36 -0.32 0.00 0.00 0.00 173.10 171.02 1ywl s GLY 22 N -3.89 0.68 -0.28 0.20 0.00 -0.53 -4.94 107.32 98.56 1ywl s GLY 22 Ca 0.40 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 44.13 1ywl s GLY 22 CO 0.23 -0.82 -0.07 -2.52 0.00 0.00 0.00 173.10 169.92 1ywl s TYR 23 N -4.03 3.39 0.24 1.90 1.13 -1.26 -1.89 117.35 116.84 1ywl s TYR 23 Ca 0.24 -2.49 -0.20 0.00 -1.41 0.00 0.00 57.07 53.20 1ywl s TYR 23 Cb 0.02 -2.17 0.07 0.00 -1.10 0.00 0.00 41.96 38.78 1ywl s TYR 23 CO 0.07 -0.90 0.98 -0.08 -2.51 0.00 0.00 175.55 173.11 1ywl s THR 24 N 1.05 0.00 -0.09 -3.49 -1.32 -0.95 -4.77 115.64 106.07 1ywl s THR 24 Ca -0.04 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1ywl s THR 24 Cb -0.20 -2.92 0.01 0.00 -1.51 0.00 0.00 72.50 67.88 1ywl s THR 24 CO -0.06 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 172.60 1ywl s THR 25 N -2.16 1.56 -0.08 5.08 -4.23 -1.26 -2.24 115.64 112.30 1ywl s THR 25 Ca 0.21 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1ywl s THR 25 Cb -0.03 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1ywl s THR 25 CO 0.07 0.45 0.08 1.21 -0.54 0.00 0.00 174.62 175.89 1ywl n GLU 26 N 3.89 -0.16 0.11 3.99 0.00 -0.88 -4.71 120.64 122.88 1ywl n GLU 26 Ca -0.20 0.62 -0.04 0.00 0.00 0.00 0.00 57.16 57.54 1ywl n GLU 26 Cb 0.52 -1.98 0.06 0.00 0.00 0.00 0.00 31.44 30.04 1ywl n GLU 26 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1ywl h PRO 27 N 0.07 0.03 -0.83 5.31 0.13 -1.90 -3.20 132.00 131.61 1ywl h PRO 27 Ca 0.00 -0.03 0.20 0.00 -0.87 0.00 0.00 66.00 65.29 1ywl h PRO 27 Cb 0.91 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.90 1ywl h PRO 27 CO 0.03 0.78 -0.02 0.93 -0.23 0.00 0.00 178.00 179.49 1ywl h GLU 28 N 0.02 0.07 0.19 0.86 4.39 -1.99 1.59 114.58 119.71 1ywl h GLU 28 Ca -0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1ywl h GLU 28 Cb 1.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1ywl h GLU 28 CO 0.10 0.04 -0.09 0.00 -1.16 0.00 0.00 179.01 177.90 1ywl h ARG 29 N 0.07 -0.25 -1.00 2.33 3.08 -1.96 -2.82 114.38 113.83 1ywl h ARG 29 Ca 0.46 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.73 1ywl h ARG 29 Cb 0.84 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.83 1ywl h ARG 29 CO -0.76 0.16 0.61 -0.09 -1.07 0.00 0.00 179.97 178.81 1ywl h ARG 30 N -0.82 0.71 0.64 0.04 2.43 -1.19 0.92 114.38 117.11 1ywl h ARG 30 Ca -0.03 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1ywl h ARG 30 Cb 0.52 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ywl h ARG 30 CO 0.04 0.47 -0.44 1.25 -1.51 0.00 0.00 179.97 179.78 1ywl h LEU 31 N 0.73 -1.13 -2.26 3.80 6.46 0.22 -1.78 115.31 121.36 1ywl h LEU 31 Ca 0.59 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.41 1ywl h LEU 31 Cb 0.96 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1ywl h LEU 31 CO -0.40 -0.65 -0.05 0.00 -0.62 0.00 0.00 178.44 176.72 1ywl h THR 32 N -1.02 0.37 0.00 1.05 1.03 -1.02 -0.67 112.91 112.64 1ywl h THR 32 Ca -0.09 -0.28 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 1ywl h THR 32 Cb 0.83 1.20 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1ywl h THR 32 CO 0.06 0.05 -0.02 -0.08 -0.01 0.00 0.00 175.52 175.52 1ywl h GLU 33 N 0.00 0.00 0.00 0.00 4.57 0.17 -0.41 114.58 118.91 1ywl h GLU 33 Ca -0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1ywl h GLU 33 Cb 0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1ywl h GLU 33 CO 0.01 0.02 -1.86 1.58 -1.18 0.00 0.00 179.01 177.58 1ywl n HIS 34 N -3.33 0.31 0.18 0.92 -0.00 -0.28 -3.96 115.22 109.06 1ywl n HIS 34 Ca -0.02 0.10 0.05 0.00 -0.00 0.00 0.00 57.72 57.85 1ywl n HIS 34 Cb 0.14 -0.79 0.22 0.00 -0.00 0.00 0.00 29.99 29.56 1ywl n HIS 34 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1ywl n ASN 35 N -2.55 3.21 -0.08 0.26 3.02 -0.28 -4.03 115.26 114.82 1ywl n ASN 35 Ca -0.12 -2.32 -0.12 0.00 -0.03 0.00 0.00 54.58 52.00 1ywl n ASN 35 Cb 0.76 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 1ywl n ASN 35 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1ywl h SER 36 N 2.48 0.00 0.00 6.41 0.87 -1.36 -3.48 113.55 118.46 1ywl h SER 36 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ywl h SER 36 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ywl h SER 36 CO 0.17 1.02 0.00 0.61 -0.53 0.00 0.00 176.83 178.10 1ywl n GLY 37 N 1.58 -1.82 3.63 5.77 0.00 -1.26 -5.14 105.19 107.95 1ywl n GLY 37 Ca -0.15 0.77 -0.35 0.00 0.00 0.00 0.00 46.02 46.29 1ywl n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ywl s THR 38 N 0.00 4.90 0.45 2.61 -4.23 -1.26 -5.10 115.64 113.02 1ywl s THR 38 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1ywl s THR 38 Cb 0.00 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1ywl s THR 38 CO 0.00 0.43 0.62 -0.83 -0.54 0.00 0.00 174.62 174.30 1ywl s GLY 39 N 0.57 1.92 -0.20 3.99 0.00 -1.26 -5.09 107.32 107.24 1ywl s GLY 39 Ca 0.04 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 1ywl s GLY 39 CO 0.01 -1.39 1.07 0.00 0.00 0.00 0.00 173.10 172.79 1ywl s ALA 40 N -2.45 -1.97 -0.29 3.20 0.00 -1.26 -4.92 121.76 114.07 1ywl s ALA 40 Ca 0.56 1.68 0.16 0.00 0.00 0.00 0.00 51.96 54.35 1ywl s ALA 40 Cb -0.10 -0.99 -0.21 0.00 0.00 0.00 0.00 23.12 21.82 1ywl s ALA 40 CO 0.34 -0.28 0.46 0.36 0.00 0.00 0.00 175.76 176.65 1ywl n LYS 41 N 1.02 1.04 0.00 0.00 -0.00 -1.26 -4.86 118.16 114.09 1ywl n LYS 41 Ca -0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1ywl n LYS 41 Cb 0.58 -1.32 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1ywl n LYS 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ywl n TYR 42 N -1.79 0.00 0.18 5.58 4.01 -1.26 -5.04 117.16 118.84 1ywl n TYR 42 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1ywl n TYR 42 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1ywl n TYR 42 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1ywl n THR 43 N 0.00 0.00 0.66 -0.72 -1.04 -1.26 -4.90 114.28 107.02 1ywl n THR 43 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1ywl n THR 43 Cb 0.00 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.67 1ywl n THR 43 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ywl n ARG 44 N -3.24 2.12 -0.25 -2.82 3.00 -1.26 -4.44 116.66 109.78 1ywl n ARG 44 Ca 0.00 -1.24 -0.09 0.00 -0.01 0.00 0.00 57.85 56.51 1ywl n ARG 44 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 32.46 30.91 1ywl n ARG 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ywl h LEU 45 N 1.83 -1.55 -9.37 0.55 7.12 -1.93 -3.39 115.31 108.57 1ywl h LEU 45 Ca 0.00 0.23 -0.63 0.00 0.13 0.00 0.00 57.88 57.61 1ywl h LEU 45 Cb 0.71 0.67 0.10 0.00 -0.53 0.00 0.00 40.66 41.61 1ywl h LEU 45 CO 0.08 -0.21 0.12 0.00 -0.13 0.00 0.00 178.44 178.30 1ywl n ALA 46 N -3.12 -0.73 -0.08 1.25 0.00 -1.26 -4.91 120.51 111.66 1ywl n ALA 46 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1ywl n ALA 46 Cb 0.21 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1ywl n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ywl n LYS 47 N 1.17 0.00 -3.49 0.00 5.02 -1.26 -4.89 118.16 114.72 1ywl n LYS 47 Ca 0.13 0.46 -0.25 0.00 -2.02 0.00 0.00 58.31 56.63 1ywl n LYS 47 Cb 0.28 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1ywl n LYS 47 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ywl n ARG 48 N -1.88 -6.28 0.02 1.97 0.00 -1.26 -4.91 116.66 104.33 1ywl n ARG 48 Ca 0.00 0.78 -0.11 0.00 -0.00 0.00 0.00 57.85 58.51 1ywl n ARG 48 Cb 0.00 -5.72 -0.09 0.00 0.00 0.00 0.00 32.46 26.65 1ywl n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ywl h ARG 49 N -2.09 -0.14 -6.23 -0.14 3.08 -1.99 -3.43 114.38 103.46 1ywl h ARG 49 Ca -0.55 0.01 -0.57 0.00 0.07 0.00 0.00 59.98 58.94 1ywl h ARG 49 Cb 1.36 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.40 1ywl h ARG 49 CO 0.59 0.37 0.94 -1.25 -1.07 0.00 0.00 179.97 179.55 1ywl s PRO 50 N -3.42 4.10 -0.06 0.04 0.04 -1.26 -4.99 135.00 129.45 1ywl s PRO 50 Ca -0.14 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 1ywl s PRO 50 Cb 0.00 -3.82 0.04 0.00 0.04 0.00 0.00 34.50 30.75 1ywl s PRO 50 CO 0.54 -0.88 0.07 0.14 0.04 0.00 0.00 177.00 176.90 1ywl s VAL 51 N 3.90 -0.11 0.17 -0.36 -7.23 -1.25 -4.32 120.40 111.20 1ywl s VAL 51 Ca 0.57 0.33 0.07 0.00 -1.81 0.00 0.00 61.98 61.14 1ywl s VAL 51 Cb -0.20 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1ywl s VAL 51 CO 0.19 0.10 -0.00 0.27 -0.31 0.00 0.00 175.10 175.35 1ywl s ILE 52 N 2.17 3.74 -0.42 -0.62 -4.36 -0.99 -4.84 121.20 115.87 1ywl s ILE 52 Ca 0.04 -1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 58.88 1ywl s ILE 52 Cb -0.13 -2.87 0.03 0.00 1.25 0.00 0.00 42.46 40.73 1ywl s ILE 52 CO -0.04 -0.10 0.31 -0.04 0.24 0.00 0.00 174.94 175.31 1ywl s MET 53 N -2.92 2.97 -0.01 0.37 -1.94 -1.26 -1.25 119.30 115.27 1ywl s MET 53 Ca 0.27 -1.05 0.14 0.00 -1.71 0.00 0.00 55.69 53.35 1ywl s MET 53 Cb -0.09 -4.00 -0.17 0.00 2.01 0.00 0.00 34.83 32.58 1ywl s MET 53 CO 0.19 -0.78 0.51 0.44 -0.01 0.00 0.00 175.02 175.37 1ywl n ILE 54 N 5.17 0.00 -4.27 2.53 -0.00 -1.21 -4.97 119.36 116.61 1ywl n ILE 54 Ca -0.11 -0.22 -0.21 0.00 -0.00 0.00 0.00 62.75 62.21 1ywl n ILE 54 Cb 0.47 0.75 -0.12 0.00 -0.00 0.00 0.00 39.64 40.74 1ywl n ILE 54 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1ywl s HIS 55 N -2.53 1.62 -0.28 4.28 3.76 -1.25 -4.98 115.29 115.90 1ywl s HIS 55 Ca 0.02 -0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 54.43 1ywl s HIS 55 Cb 0.10 -0.86 0.16 0.00 1.11 0.00 0.00 32.58 33.09 1ywl s HIS 55 CO 0.59 0.20 0.56 0.95 -0.85 0.00 0.00 174.74 176.19 1ywl s THR 56 N -1.61 -0.91 0.07 1.30 -4.23 -1.26 -3.94 115.64 105.05 1ywl s THR 56 Ca 0.08 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1ywl s THR 56 Cb -0.08 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.81 1ywl s THR 56 CO 0.04 -0.01 0.18 -0.70 -0.54 0.00 0.00 174.62 173.59 1ywl s GLU 57 N 2.80 0.77 -0.02 3.99 2.12 -0.40 -4.94 118.70 123.02 1ywl s GLU 57 Ca 0.12 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1ywl s GLU 57 Cb -0.14 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1ywl s GLU 57 CO -0.19 -0.23 -0.04 -1.59 -0.54 0.00 0.00 175.26 172.67 1ywl s LYS 58 N -3.33 0.54 -0.13 4.30 -2.85 -1.26 -0.23 119.74 116.77 1ywl s LYS 58 Ca 0.01 -0.09 -0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1ywl s LYS 58 Cb 0.03 -0.58 0.03 0.00 -2.06 0.00 0.00 37.83 35.24 1ywl s LYS 58 CO -0.08 -0.02 -0.08 -0.06 0.10 0.00 0.00 175.35 175.20 1ywl s PHE 59 N 0.55 1.68 0.11 1.78 0.08 -0.88 -4.95 117.98 116.35 1ywl s PHE 59 Ca -0.06 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 55.99 1ywl s PHE 59 Cb -0.10 -1.33 -0.14 0.00 -0.57 0.00 0.00 43.02 40.89 1ywl s PHE 59 CO -0.00 -0.57 1.27 1.49 -0.10 0.00 0.00 175.22 177.30 1ywl h GLU 60 N 8.14 0.47 -6.12 0.44 4.81 -1.97 -2.62 114.58 117.72 1ywl h GLU 60 Ca -0.30 -0.52 -0.52 0.00 -0.13 0.00 0.00 59.36 57.89 1ywl h GLU 60 Cb 1.13 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1ywl h GLU 60 CO 0.43 1.17 -0.47 0.95 -0.73 0.00 0.00 179.01 180.35 1ywl s THR 61 N -3.25 5.12 -0.03 0.32 -4.23 -1.26 -4.78 115.64 107.53 1ywl s THR 61 Ca -0.07 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1ywl s THR 61 Cb 0.08 -3.69 -0.31 0.00 1.34 0.00 0.00 72.50 69.92 1ywl s THR 61 CO 0.88 -0.19 0.74 -0.09 -0.54 0.00 0.00 174.62 175.42 1ywl h ARG 62 N 1.83 0.41 -0.85 3.99 1.12 -1.98 -3.04 114.38 115.86 1ywl h ARG 62 Ca -0.49 -0.71 0.22 0.00 -1.11 0.00 0.00 59.98 57.89 1ywl h ARG 62 Cb 1.21 0.26 -0.13 0.00 -0.01 0.00 0.00 29.97 31.30 1ywl h ARG 62 CO 0.65 1.33 0.23 0.77 -3.11 0.00 0.00 179.97 179.84 1ywl h SER 63 N 0.11 0.01 0.23 -3.80 0.02 -1.98 0.98 113.55 109.12 1ywl h SER 63 Ca -0.32 0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.58 1ywl h SER 63 Cb 2.11 0.25 0.01 0.00 0.14 0.00 0.00 62.40 64.90 1ywl h SER 63 CO 0.20 -0.12 -0.92 -0.33 -1.14 0.00 0.00 176.83 174.51 1ywl h GLU 64 N 0.23 0.49 0.31 3.45 4.39 -1.98 -1.70 114.58 119.77 1ywl h GLU 64 Ca 0.52 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1ywl h GLU 64 Cb 1.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1ywl h GLU 64 CO -0.62 1.14 -0.15 0.00 -1.16 0.00 0.00 179.01 178.22 1ywl h ALA 65 N 0.69 -0.41 -0.07 3.43 0.00 -0.11 0.46 119.26 123.24 1ywl h ALA 65 Ca -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ywl h ALA 65 Cb 1.55 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1ywl h ALA 65 CO 0.17 -0.73 -0.18 0.00 0.00 0.00 0.00 179.25 178.51 1ywl h THR 66 N -0.43 1.17 -0.37 0.00 1.03 0.67 -1.90 112.91 113.08 1ywl h THR 66 Ca -0.04 -0.79 -0.16 0.00 -0.01 0.00 0.00 66.41 65.41 1ywl h THR 66 Cb 0.33 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 1ywl h THR 66 CO 0.07 0.24 -0.39 0.50 -0.01 0.00 0.00 175.52 175.92 1ywl h LYS 67 N 0.11 0.90 0.00 0.00 3.64 -0.70 -1.15 116.57 119.37 1ywl h LYS 67 Ca 0.02 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 1ywl h LYS 67 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1ywl h LYS 67 CO 0.03 1.12 -0.24 0.00 -2.27 0.00 0.00 179.45 178.09 1ywl h ALA 68 N 0.81 1.56 0.07 5.00 0.00 0.58 -2.57 119.26 124.71 1ywl h ALA 68 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ywl h ALA 68 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ywl h ALA 68 CO 0.09 0.30 -0.03 1.49 0.00 0.00 0.00 179.25 181.10 1ywl h GLU 69 N 0.00 -0.09 -0.86 0.00 4.22 -0.99 -2.09 114.58 114.77 1ywl h GLU 69 Ca -0.00 0.01 0.22 0.00 0.08 0.00 0.00 59.36 59.66 1ywl h GLU 69 Cb 0.44 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 1ywl h GLU 69 CO 0.03 0.48 0.25 0.00 -2.18 0.00 0.00 179.01 177.59 1ywl h ALA 70 N 0.04 1.25 0.14 2.92 0.00 -1.02 0.22 119.26 122.82 1ywl h ALA 70 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ywl h ALA 70 Cb 0.60 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ywl h ALA 70 CO 0.02 -0.43 -0.07 0.00 0.00 0.00 0.00 179.25 178.77 1ywl h ALA 71 N 1.75 -0.19 -0.71 0.00 0.00 -1.48 -2.26 119.26 116.36 1ywl h ALA 71 Ca 0.53 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.52 1ywl h ALA 71 Cb 1.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ywl h ALA 71 CO -0.62 -0.50 0.80 0.74 0.00 0.00 0.00 179.25 179.67 1ywl h PHE 72 N -0.41 0.00 -0.11 0.00 -1.00 0.11 1.67 116.94 117.20 1ywl h PHE 72 Ca -0.02 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.54 1ywl h PHE 72 Cb 0.32 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.89 1ywl h PHE 72 CO -0.00 0.00 -0.82 -0.22 -1.61 0.00 0.00 178.31 175.66 1ywl h LYS 73 N 0.00 0.68 0.14 1.51 3.64 -0.59 -3.29 116.57 118.66 1ywl h LYS 73 Ca 0.34 -0.59 -0.20 0.00 -1.27 0.00 0.00 60.65 58.92 1ywl h LYS 73 Cb 1.93 0.13 0.02 0.00 -0.41 0.00 0.00 32.23 33.91 1ywl h LYS 73 CO -0.00 1.20 -0.92 0.87 -2.27 0.00 0.00 179.45 178.33 1ywl h LYS 74 N 0.45 0.29 -6.86 1.90 1.57 0.21 -3.46 116.57 110.67 1ywl h LYS 74 Ca -0.06 -0.49 -0.50 0.00 -1.87 0.00 0.00 60.65 57.73 1ywl h LYS 74 Cb 1.45 0.18 0.22 0.00 0.08 0.00 0.00 32.23 34.16 1ywl h LYS 74 CO 0.16 1.24 -0.55 1.28 -0.57 0.00 0.00 179.45 181.01 1ywl n LEU 75 N -4.09 -0.50 -4.53 2.94 4.77 0.29 -5.03 117.00 110.84 1ywl n LEU 75 Ca -0.16 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.70 1ywl n LEU 75 Cb 0.84 -1.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1ywl n LEU 75 CO 0.47 -3.23 -0.18 0.28 -1.33 0.00 0.00 177.39 173.40 1ywl s THR 76 N -2.38 0.53 0.66 -5.08 -1.32 -1.26 -4.86 115.64 101.92 1ywl s THR 76 Ca 0.59 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 59.24 1ywl s THR 76 Cb -0.19 -2.28 0.18 0.00 -1.51 0.00 0.00 72.50 68.70 1ywl s THR 76 CO 0.66 0.00 1.50 -0.09 -2.21 0.00 0.00 174.62 174.48 1ywl h ARG 77 N 1.72 0.00 0.00 7.08 2.43 -1.97 0.42 114.38 124.07 1ywl h ARG 77 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1ywl h ARG 77 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ywl h ARG 77 CO 0.55 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 180.18 1ywl n LYS 78 N -2.77 0.00 -0.52 0.20 4.81 -1.26 -3.65 118.16 114.97 1ywl n LYS 78 Ca 0.00 0.05 0.41 0.00 -0.87 0.00 0.00 58.31 57.91 1ywl n LYS 78 Cb 0.70 -0.42 0.66 0.00 0.02 0.00 0.00 35.03 36.00 1ywl n LYS 78 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1ywl n GLN 79 N -2.11 -0.02 0.07 1.64 -0.06 -1.00 0.08 117.38 115.98 1ywl n GLN 79 Ca 0.00 1.03 -0.03 0.00 -2.00 0.00 0.00 57.00 56.01 1ywl n GLN 79 Cb 0.00 -2.20 -0.01 0.00 -4.06 0.00 0.00 30.24 23.97 1ywl n GLN 79 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1ywl h LYS 80 N 0.00 -0.17 -0.92 3.69 1.57 -0.38 1.45 116.57 121.81 1ywl h LYS 80 Ca 0.81 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.93 1ywl h LYS 80 Cb 2.93 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 35.11 1ywl h LYS 80 CO -0.21 -0.12 0.31 -1.91 -0.57 0.00 0.00 179.45 176.96 1ywl n GLU 81 N -2.78 -0.06 -0.02 3.15 4.07 0.11 -0.28 120.64 124.83 1ywl n GLU 81 Ca -0.02 1.31 -0.07 0.00 -0.06 0.00 0.00 57.16 58.32 1ywl n GLU 81 Cb 0.07 -2.24 -0.06 0.00 -0.06 0.00 0.00 31.44 29.15 1ywl n GLU 81 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1ywl h GLN 82 N 0.00 -0.07 -1.11 5.31 1.08 -1.21 -0.35 115.11 118.76 1ywl h GLN 82 Ca 0.69 0.00 0.40 0.00 -1.45 0.00 0.00 58.65 58.30 1ywl h GLN 82 Cb 1.71 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 29.03 1ywl h GLN 82 CO -0.77 0.33 0.69 0.98 -0.95 0.00 0.00 178.83 179.12 1ywl n TYR 83 N -4.78 0.71 -0.08 2.96 9.36 0.50 0.21 117.16 126.04 1ywl n TYR 83 Ca -0.05 0.72 -0.12 0.00 3.32 0.00 0.00 57.90 61.77 1ywl n TYR 83 Cb 0.21 -1.14 -0.06 0.00 -0.63 0.00 0.00 39.34 37.73 1ywl n TYR 83 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ywl h LEU 84 N 0.00 0.00 -0.64 2.98 4.07 -1.06 -3.38 115.31 117.29 1ywl h LEU 84 Ca 0.76 -0.25 0.13 0.00 0.08 0.00 0.00 57.88 58.59 1ywl h LEU 84 Cb 2.33 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.95 1ywl h LEU 84 CO -0.47 1.04 -0.20 0.11 -1.08 0.00 0.00 178.44 177.84 1ywl h LYS 85 N -1.00 -0.04 -1.67 1.13 1.57 0.12 1.10 116.57 117.78 1ywl h LYS 85 Ca -0.14 0.00 0.49 0.00 -1.87 0.00 0.00 60.65 59.13 1ywl h LYS 85 Cb 0.81 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1ywl h LYS 85 CO -0.08 -0.03 1.24 0.00 -0.57 0.00 0.00 179.45 180.01 1ywl h THR 86 N -0.04 0.13 0.00 -0.16 1.03 0.22 1.34 112.91 115.44 1ywl h THR 86 Ca 0.30 0.00 -0.43 0.00 -0.01 0.00 0.00 66.41 66.27 1ywl h THR 86 Cb 0.50 0.13 -0.07 0.00 -1.07 0.00 0.00 68.15 67.64 1ywl h THR 86 CO -0.67 0.00 -2.41 0.33 -0.01 0.00 0.00 175.52 172.75 1ywl n PHE 87 N -3.96 0.13 -0.20 0.00 7.35 0.32 -4.38 117.46 116.72 1ywl n PHE 87 Ca 0.37 0.05 -0.02 0.00 -0.76 0.00 0.00 57.45 57.09 1ywl n PHE 87 Cb 1.75 -1.01 0.09 0.00 0.35 0.00 0.00 39.48 40.66 1ywl n PHE 87 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1ywl h HIS 88 N -0.74 0.51 -0.16 -5.13 2.76 0.25 -2.85 115.15 109.79 1ywl h HIS 88 Ca -0.64 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.57 1ywl h HIS 88 Cb 1.67 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.47 1ywl h HIS 88 CO -0.04 0.21 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.62 1ywl h LEU 89 N 0.52 -0.39 -9.55 0.26 4.07 0.14 -3.37 115.31 107.00 1ywl h LEU 89 Ca 0.28 0.06 -0.52 0.00 0.08 0.00 0.00 57.88 57.77 1ywl h LEU 89 Cb 0.25 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ywl h LEU 89 CO -0.22 -0.05 0.42 -1.83 -1.08 0.00 0.00 178.44 175.68 1ywl s GLU 90 N -3.47 4.61 -0.19 1.13 4.04 -1.07 -5.03 118.70 118.71 1ywl s GLU 90 Ca -0.02 1.56 -0.10 0.00 0.04 0.00 0.00 54.97 56.45 1ywl s GLU 90 Cb 0.02 -3.36 0.07 0.00 0.02 0.00 0.00 34.13 30.87 1ywl s GLU 90 CO 0.11 0.06 0.46 -1.58 -1.84 0.00 0.00 175.26 172.47 1ywl s HIS 91 N 0.28 -0.71 0.04 4.83 2.46 -1.26 -4.85 115.29 116.08 1ywl s HIS 91 Ca 0.50 1.46 -0.20 0.00 0.47 0.00 0.00 55.06 57.30 1ywl s HIS 91 Cb -0.25 0.34 0.04 0.00 -0.13 0.00 0.00 32.58 32.58 1ywl s HIS 91 CO 0.31 -0.39 0.46 -1.58 -2.47 0.00 0.00 174.74 171.06 1ywl s HIS 92 N 1.57 -0.33 -0.08 3.88 5.04 -1.26 -5.16 115.29 118.95 1ywl s HIS 92 Ca -0.09 0.34 -0.04 0.00 -1.54 0.00 0.00 55.06 53.74 1ywl s HIS 92 Cb -0.08 0.26 -0.04 0.00 0.04 0.00 0.00 32.58 32.77 1ywl s HIS 92 CO -0.14 -0.59 0.08 -1.58 -2.34 0.00 0.00 174.74 170.16 1ywl s HIS 93 N -2.39 3.37 0.15 3.88 2.46 -1.26 -5.10 115.29 116.40 1ywl s HIS 93 Ca -0.06 0.33 -0.14 0.00 0.47 0.00 0.00 55.06 55.67 1ywl s HIS 93 Cb -0.01 -1.84 0.02 0.00 -0.13 0.00 0.00 32.58 30.62 1ywl s HIS 93 CO -0.02 0.60 0.37 -1.58 -2.47 0.00 0.00 174.74 171.65 1ywl s HIS 94 N -1.02 0.02 -0.44 3.88 5.04 -1.26 -5.13 115.29 116.39 1ywl s HIS 94 Ca 0.16 -0.38 0.08 0.00 -1.54 0.00 0.00 55.06 53.38 1ywl s HIS 94 Cb -0.12 0.17 0.18 0.00 0.04 0.00 0.00 32.58 32.86 1ywl s HIS 94 CO 0.06 -0.74 0.65 -1.58 -2.34 0.00 0.00 174.74 170.79 1ywl s HIS 95 N -3.87 -1.67 0.00 3.88 2.46 -1.26 -5.36 115.29 109.47 1ywl s HIS 95 Ca 0.09 -0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.60 1ywl s HIS 95 Cb 0.02 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1ywl s HIS 95 CO -0.06 -1.20 0.00 1.58 -2.47 0.00 0.00 174.74 172.58