#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywl s GLU 2 N 0.00 1.76 1.77 2.12 2.02 -1.26 -5.05 118.70 120.06 1ywl s GLU 2 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1ywl s GLU 2 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1ywl s GLU 2 CO 0.00 -0.65 0.00 0.09 0.02 0.00 0.00 175.26 174.72 1ywl n ASN 3 N -1.55 -4.01 -4.52 -0.19 4.13 -1.26 -4.46 115.26 103.40 1ywl n ASN 3 Ca 0.07 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.04 1ywl n ASN 3 Cb 0.62 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.71 1ywl n ASN 3 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ywl n LYS 4 N -1.28 0.23 -3.02 3.52 4.81 -1.26 -4.19 118.16 116.96 1ywl n LYS 4 Ca 0.00 -0.13 0.05 0.00 -0.87 0.00 0.00 58.31 57.36 1ywl n LYS 4 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 8.18 0.00 0.32 1.64 2.47 -1.26 -5.03 119.74 126.06 1ywl s LYS 5 Ca 1.23 0.00 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1ywl s LYS 5 Cb -0.79 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 35.58 1ywl s LYS 5 CO 0.43 -0.01 0.00 0.45 0.16 0.00 0.00 175.35 176.38 1ywl n SER 6 N 4.62 -5.89 -4.59 1.43 2.88 -1.26 -4.75 113.62 106.05 1ywl n SER 6 Ca 0.09 0.66 -0.39 0.00 -1.33 0.00 0.00 58.87 57.90 1ywl n SER 6 Cb 0.60 -3.15 -0.10 0.00 -0.75 0.00 0.00 64.21 60.82 1ywl n SER 6 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1ywl s HIS 7 N -2.71 3.23 -0.44 0.66 3.76 -1.01 -4.57 115.29 114.21 1ywl s HIS 7 Ca 0.00 0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 1ywl s HIS 7 Cb 0.00 -2.52 0.09 0.00 1.11 0.00 0.00 32.58 31.26 1ywl s HIS 7 CO 0.00 -0.23 0.31 0.71 -0.85 0.00 0.00 174.74 174.67 1ywl s TYR 8 N 1.95 3.35 -0.46 1.40 1.51 -1.03 -2.52 117.35 121.56 1ywl s TYR 8 Ca 0.12 -1.54 -0.25 0.00 -1.01 0.00 0.00 57.07 54.38 1ywl s TYR 8 Cb -0.16 -3.16 0.03 0.00 -0.11 0.00 0.00 41.96 38.56 1ywl s TYR 8 CO 0.11 -0.89 0.92 0.12 -1.11 0.00 0.00 175.55 174.70 1ywl s PHE 9 N 1.44 2.93 -0.17 2.71 2.19 -0.29 -2.26 117.98 124.52 1ywl s PHE 9 Ca 0.04 0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.68 1ywl s PHE 9 Cb -0.24 -3.95 0.01 0.00 -1.31 0.00 0.00 43.02 37.53 1ywl s PHE 9 CO 0.02 -1.09 -0.16 0.71 1.83 0.00 0.00 175.22 176.52 1ywl s TYR 10 N 3.73 2.79 -0.55 10.12 1.51 -0.48 -1.05 117.35 133.42 1ywl s TYR 10 Ca 0.37 -1.33 -0.22 0.00 -1.01 0.00 0.00 57.07 54.88 1ywl s TYR 10 Cb -0.10 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1ywl s TYR 10 CO 0.26 -0.65 0.81 0.08 -1.11 0.00 0.00 175.55 174.94 1ywl s VAL 11 N 1.13 4.58 0.41 0.71 1.01 -1.24 -2.22 120.40 124.78 1ywl s VAL 11 Ca 0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1ywl s VAL 11 Cb -0.14 -4.47 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 1ywl s VAL 11 CO -0.06 -1.05 0.91 -0.76 0.00 0.00 0.00 175.10 174.14 1ywl s LEU 12 N 3.40 3.96 -0.17 3.92 1.43 -0.34 -3.84 118.68 127.04 1ywl s LEU 12 Ca 0.22 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1ywl s LEU 12 Cb -0.16 -4.46 0.05 0.00 0.03 0.00 0.00 46.19 41.65 1ywl s LEU 12 CO 0.15 -0.33 -0.01 -0.22 0.23 0.00 0.00 176.35 176.16 1ywl s LEU 13 N -3.15 1.44 1.17 1.79 2.96 -0.94 -1.95 118.68 120.00 1ywl s LEU 13 Ca 0.61 -0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 1ywl s LEU 13 Cb -0.09 -0.76 0.28 0.00 0.50 0.00 0.00 46.19 46.11 1ywl s LEU 13 CO 0.14 -0.24 1.16 0.00 -1.32 0.00 0.00 176.35 176.09 1ywl h GLN 15 N -2.45 -0.37 -0.93 0.00 5.75 -1.93 -3.20 115.11 111.98 1ywl h GLN 15 Ca -0.44 0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.27 1ywl h GLN 15 Cb 1.27 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.83 1ywl h GLN 15 CO 0.32 -0.07 0.60 -0.44 -2.65 0.00 0.00 178.83 176.59 1ywl h ASP 16 N -0.98 0.57 0.00 -0.69 5.19 -1.94 -3.45 116.42 115.12 1ywl h ASP 16 Ca -0.04 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ywl h ASP 16 Cb 0.48 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1ywl h ASP 16 CO 0.07 0.23 0.00 0.61 -3.12 0.00 0.00 179.24 177.03 1ywl n GLY 17 N -1.45 0.35 3.31 2.75 0.00 -1.21 -5.12 105.19 103.83 1ywl n GLY 17 Ca 0.20 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 5.24 -0.67 1.61 0.15 -1.26 -4.89 113.70 113.88 1ywl s SER 18 Ca 0.00 -0.92 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 1ywl s SER 18 Cb 0.00 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1ywl s SER 18 CO 0.00 -0.26 1.07 -0.36 1.20 0.00 0.00 173.24 174.89 1ywl s PHE 19 N 1.46 2.56 -0.30 3.44 0.40 -1.26 -2.40 117.98 121.87 1ywl s PHE 19 Ca 0.01 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1ywl s PHE 19 Cb -0.18 -4.39 0.10 0.00 0.51 0.00 0.00 43.02 39.06 1ywl s PHE 19 CO 0.03 -1.75 0.08 -0.47 0.70 0.00 0.00 175.22 173.81 1ywl s TYR 20 N 4.64 1.92 0.09 0.36 6.14 -0.82 -4.99 117.35 124.68 1ywl s TYR 20 Ca 0.28 -1.82 0.08 0.00 0.64 0.00 0.00 57.07 56.25 1ywl s TYR 20 Cb -0.13 -1.80 -0.04 0.00 0.42 0.00 0.00 41.96 40.41 1ywl s TYR 20 CO 0.13 -0.87 -0.18 0.20 0.64 0.00 0.00 175.55 175.48 1ywl s GLY 21 N 1.54 1.64 0.10 8.97 0.00 -1.26 -1.20 107.32 117.12 1ywl s GLY 21 Ca 0.09 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 1ywl s GLY 21 CO -0.22 -1.24 0.56 -0.32 0.00 0.00 0.00 173.10 171.88 1ywl s GLY 22 N -1.87 -0.51 -0.18 0.20 0.00 -0.94 -4.93 107.32 99.08 1ywl s GLY 22 Ca 0.17 0.52 -0.07 0.00 0.00 0.00 0.00 44.72 45.34 1ywl s GLY 22 CO 0.08 0.20 0.04 -2.52 0.00 0.00 0.00 173.10 170.91 1ywl s TYR 23 N -3.16 3.19 0.21 1.90 -0.85 -1.26 -1.38 117.35 116.00 1ywl s TYR 23 Ca -0.02 -0.03 -0.20 0.00 -0.52 0.00 0.00 57.07 56.30 1ywl s TYR 23 Cb -0.00 -2.06 0.07 0.00 0.38 0.00 0.00 41.96 40.35 1ywl s TYR 23 CO -0.08 0.09 0.99 -2.37 -1.52 0.00 0.00 175.55 172.66 1ywl n THR 24 N 3.61 0.00 -5.05 -3.49 5.66 -0.96 -4.79 114.28 109.26 1ywl n THR 24 Ca -0.17 -0.62 -0.32 0.00 -3.05 0.00 0.00 64.05 59.89 1ywl n THR 24 Cb 0.52 0.80 -0.16 0.00 -1.55 0.00 0.00 70.33 69.94 1ywl n THR 24 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ywl s THR 25 N -2.07 2.27 -0.19 1.09 -4.23 -1.26 -2.46 115.64 108.79 1ywl s THR 25 Ca 0.22 -0.94 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1ywl s THR 25 Cb -0.03 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 1ywl s THR 25 CO 0.06 0.55 0.18 -0.62 -0.54 0.00 0.00 174.62 174.25 1ywl n GLU 26 N 3.61 -0.34 0.00 3.99 -0.58 -1.26 -4.55 120.64 121.51 1ywl n GLU 26 Ca -0.19 0.75 0.12 0.00 -0.42 0.00 0.00 57.16 57.42 1ywl n GLU 26 Cb 0.53 -2.58 0.70 0.00 -0.57 0.00 0.00 31.44 29.52 1ywl n GLU 26 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1ywl n PRO 27 N -1.21 0.71 -0.00 3.49 -0.04 -1.26 -3.03 135.00 133.66 1ywl n PRO 27 Ca -0.00 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1ywl n PRO 27 Cb 0.50 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1ywl n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ywl h GLU 28 N 0.00 -0.06 0.00 0.54 4.39 -2.00 -2.44 114.58 115.02 1ywl h GLU 28 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ywl h GLU 28 Cb 0.02 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ywl h GLU 28 CO 0.00 -0.04 -0.05 0.07 -1.16 0.00 0.00 179.01 177.83 1ywl h ARG 29 N -0.63 0.00 0.46 2.33 0.11 -1.95 -2.76 114.38 111.93 1ywl h ARG 29 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1ywl h ARG 29 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1ywl h ARG 29 CO 0.01 0.05 -0.22 -0.09 0.10 0.00 0.00 179.97 179.82 1ywl h ARG 30 N 0.00 -0.59 -0.86 0.08 2.43 -1.65 -1.73 114.38 112.05 1ywl h ARG 30 Ca -0.00 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1ywl h ARG 30 Cb 0.12 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 29.68 1ywl h ARG 30 CO 0.01 -0.39 -0.55 1.25 -1.51 0.00 0.00 179.97 178.78 1ywl h LEU 31 N -0.94 -1.98 -1.22 3.80 5.85 -1.25 1.36 115.31 120.93 1ywl h LEU 31 Ca -0.06 0.31 0.18 0.00 0.84 0.00 0.00 57.88 59.14 1ywl h LEU 31 Cb 0.47 0.88 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1ywl h LEU 31 CO 0.10 -0.28 0.60 0.00 -0.34 0.00 0.00 178.44 178.53 1ywl h THR 32 N -0.09 0.74 0.32 1.05 1.03 -1.57 -0.72 112.91 113.68 1ywl h THR 32 Ca 0.17 -0.23 -0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1ywl h THR 32 Cb 0.48 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.59 1ywl h THR 32 CO -0.87 0.12 -0.15 -0.08 -0.01 0.00 0.00 175.52 174.53 1ywl h GLU 33 N 0.66 -0.42 -0.49 0.00 4.81 0.25 -0.33 114.58 119.06 1ywl h GLU 33 Ca 0.51 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.82 1ywl h GLU 33 Cb 0.91 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1ywl h GLU 33 CO -0.27 -0.28 -0.37 1.25 -0.73 0.00 0.00 179.01 178.61 1ywl h HIS 34 N -0.51 -1.17 -0.55 0.92 2.76 0.04 1.05 115.15 117.67 1ywl h HIS 34 Ca -0.04 0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1ywl h HIS 34 Cb 0.33 0.58 -0.10 0.00 1.55 0.00 0.00 27.41 29.77 1ywl h HIS 34 CO 0.11 -0.27 -0.52 -0.91 -1.30 0.00 0.00 177.93 175.04 1ywl h ASN 35 N -0.10 -1.78 -0.19 3.26 2.35 -1.22 -0.46 115.58 117.44 1ywl h ASN 35 Ca 0.08 0.26 0.05 0.00 -0.55 0.00 0.00 56.30 56.14 1ywl h ASN 35 Cb 0.31 0.76 -0.07 0.00 0.05 0.00 0.00 38.32 39.37 1ywl h ASN 35 CO -0.52 -0.36 -0.38 -1.28 -1.65 0.00 0.00 177.43 173.25 1ywl h SER 36 N -0.28 -1.20 -2.58 5.81 0.87 0.81 -3.47 113.55 113.49 1ywl h SER 36 Ca 0.12 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1ywl h SER 36 Cb 0.56 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1ywl h SER 36 CO -0.68 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 175.84 1ywl n GLY 37 N -1.42 -1.63 3.79 5.77 0.00 0.34 -4.60 105.19 107.43 1ywl n GLY 37 Ca -0.03 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1ywl n GLY 37 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ywl s THR 38 N -0.60 3.71 0.00 2.61 -1.32 -1.26 -4.75 115.64 114.02 1ywl s THR 38 Ca 0.00 1.15 0.00 0.00 -1.21 0.00 0.00 61.69 61.63 1ywl s THR 38 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1ywl s THR 38 CO 0.00 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1ywl n GLY 39 N -0.02 0.79 2.92 6.08 0.00 -1.26 -4.79 105.19 108.91 1ywl n GLY 39 Ca 0.08 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1ywl n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywl s ALA 40 N -2.00 -1.19 -0.17 4.61 0.00 -1.26 -5.14 121.76 116.61 1ywl s ALA 40 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1ywl s ALA 40 Cb 0.00 -1.93 0.13 0.00 0.00 0.00 0.00 23.12 21.32 1ywl s ALA 40 CO 0.00 -1.55 1.01 -1.59 0.00 0.00 0.00 175.76 173.63 1ywl s LYS 41 N 2.55 0.57 0.33 0.00 -2.85 -1.26 -5.15 119.74 113.92 1ywl s LYS 41 Ca 0.11 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 1ywl s LYS 41 Cb -0.14 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1ywl s LYS 41 CO -0.25 -0.17 0.00 0.66 0.10 0.00 0.00 175.35 175.70 1ywl n TYR 42 N 0.84 -2.81 -2.53 1.78 4.01 -1.26 -4.38 117.16 112.81 1ywl n TYR 42 Ca -0.10 1.45 -0.41 0.00 -0.16 0.00 0.00 57.90 58.68 1ywl n TYR 42 Cb 0.58 -2.55 -0.03 0.00 -0.31 0.00 0.00 39.34 37.03 1ywl n TYR 42 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ywl s THR 43 N -2.75 3.72 0.19 -0.72 2.01 -1.26 -4.88 115.64 111.94 1ywl s THR 43 Ca 0.00 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.10 1ywl s THR 43 Cb 0.00 -4.90 0.11 0.00 0.01 0.00 0.00 72.50 67.72 1ywl s THR 43 CO 0.00 -1.83 1.57 0.03 -0.69 0.00 0.00 174.62 173.69 1ywl h ARG 44 N 10.17 -0.13 -0.45 4.92 -0.00 -1.81 -0.86 114.38 126.22 1ywl h ARG 44 Ca -0.25 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.29 1ywl h ARG 44 Cb 1.05 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.99 1ywl h ARG 44 CO 1.29 -0.09 -0.36 1.25 0.00 0.00 0.00 179.97 182.06 1ywl h LEU 45 N -0.14 -1.27 -9.04 3.04 7.12 -1.90 -3.40 115.31 109.72 1ywl h LEU 45 Ca 0.24 0.18 -0.82 0.00 0.13 0.00 0.00 57.88 57.61 1ywl h LEU 45 Cb 0.56 0.54 0.03 0.00 -0.53 0.00 0.00 40.66 41.26 1ywl h LEU 45 CO -0.78 -0.20 0.50 0.00 -0.13 0.00 0.00 178.44 177.83 1ywl n ALA 46 N -3.05 -1.91 -0.09 1.25 0.00 -0.33 -4.86 120.51 111.51 1ywl n ALA 46 Ca -0.00 0.52 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 1ywl n ALA 46 Cb 0.19 -1.92 -0.04 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 3.25 0.52 -1.51 0.00 5.02 -1.26 -4.83 118.16 119.35 1ywl n LYS 47 Ca 0.26 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.96 1ywl n LYS 47 Cb 0.03 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1ywl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ywl n ARG 48 N -4.48 -3.71 -2.81 1.97 1.74 -1.26 -4.94 116.66 103.18 1ywl n ARG 48 Ca -0.18 2.96 -0.06 0.00 -0.77 0.00 0.00 57.85 59.81 1ywl n ARG 48 Cb 0.50 -3.98 0.01 0.00 -1.02 0.00 0.00 32.46 27.97 1ywl n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ywl n ARG 49 N -3.62 -2.70 -2.30 5.56 1.74 -1.26 -4.84 116.66 109.24 1ywl n ARG 49 Ca -0.06 2.31 -0.39 0.00 -0.77 0.00 0.00 57.85 58.95 1ywl n ARG 49 Cb 0.61 -5.59 -0.03 0.00 -1.02 0.00 0.00 32.46 26.43 1ywl n ARG 49 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ywl s PRO 50 N -2.33 2.94 0.19 5.56 0.04 -1.26 -4.95 135.00 135.19 1ywl s PRO 50 Ca 0.18 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 1ywl s PRO 50 Cb -0.05 -4.45 -0.08 0.00 0.04 0.00 0.00 34.50 29.97 1ywl s PRO 50 CO 0.77 -2.50 1.05 0.14 0.04 0.00 0.00 177.00 176.50 1ywl s VAL 51 N 7.42 3.96 0.13 -0.36 -7.23 -1.26 -3.84 120.40 119.22 1ywl s VAL 51 Ca 0.52 1.76 0.10 0.00 -1.81 0.00 0.00 61.98 62.54 1ywl s VAL 51 Cb -0.09 -4.12 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 1ywl s VAL 51 CO 0.14 0.33 -0.23 0.27 -0.31 0.00 0.00 175.10 175.30 1ywl s ILE 52 N -0.48 1.98 0.02 -0.62 -4.36 -0.86 -4.92 121.20 111.97 1ywl s ILE 52 Ca 0.47 -1.72 -0.20 0.00 -0.26 0.00 0.00 60.65 58.94 1ywl s ILE 52 Cb -0.28 -1.80 -0.06 0.00 1.25 0.00 0.00 42.46 41.57 1ywl s ILE 52 CO 0.34 -0.05 0.58 -0.32 0.24 0.00 0.00 174.94 175.74 1ywl s MET 53 N -2.15 4.27 0.00 0.37 1.75 -1.26 -2.21 119.30 120.06 1ywl s MET 53 Ca 0.12 0.73 0.00 0.00 -1.25 0.00 0.00 55.69 55.28 1ywl s MET 53 Cb -0.09 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.27 1ywl s MET 53 CO 0.06 0.47 0.00 0.44 -0.65 0.00 0.00 175.02 175.34 1ywl n ILE 54 N 2.35 0.00 -4.13 10.11 -5.35 -1.25 -5.01 119.36 116.08 1ywl n ILE 54 Ca -0.08 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.12 1ywl n ILE 54 Cb 0.51 -0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 1ywl n ILE 54 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1ywl s HIS 55 N -1.71 3.03 -0.29 4.28 3.76 -1.25 -5.03 115.29 118.07 1ywl s HIS 55 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 1ywl s HIS 55 Cb 0.00 -1.49 0.18 0.00 1.11 0.00 0.00 32.58 32.38 1ywl s HIS 55 CO 0.00 0.51 0.55 0.95 -0.85 0.00 0.00 174.74 175.90 1ywl s THR 56 N -1.60 -0.91 -0.04 1.30 -4.23 -1.26 -3.70 115.64 105.20 1ywl s THR 56 Ca 0.29 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.82 1ywl s THR 56 Cb -0.10 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 1ywl s THR 56 CO 0.21 -0.04 -0.21 -0.70 -0.54 0.00 0.00 174.62 173.34 1ywl s GLU 57 N 2.78 2.32 -0.11 3.99 2.56 -0.22 -5.00 118.70 125.02 1ywl s GLU 57 Ca 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 54.97 54.31 1ywl s GLU 57 Cb -0.14 -2.20 0.03 0.00 2.00 0.00 0.00 34.13 33.81 1ywl s GLU 57 CO -0.22 0.57 -0.06 0.21 -0.56 0.00 0.00 175.26 175.21 1ywl s LYS 58 N -0.63 1.31 -0.12 4.30 2.20 -1.26 -1.14 119.74 124.40 1ywl s LYS 58 Ca 0.10 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1ywl s LYS 58 Cb -0.11 -1.49 0.06 0.00 -1.51 0.00 0.00 37.83 34.79 1ywl s LYS 58 CO -0.00 -0.29 0.23 -0.59 -0.36 0.00 0.00 175.35 174.34 1ywl s PHE 59 N 1.76 -0.35 -0.17 4.03 -0.12 -1.05 -5.01 117.98 117.08 1ywl s PHE 59 Ca 0.05 0.83 0.19 0.00 -0.05 0.00 0.00 56.93 57.94 1ywl s PHE 59 Cb -0.13 -0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.09 1ywl s PHE 59 CO -0.08 -0.35 0.99 1.05 -0.05 0.00 0.00 175.22 176.79 1ywl h GLU 60 N 8.31 0.00 -5.81 1.99 4.11 -1.94 -2.68 114.58 118.56 1ywl h GLU 60 Ca -0.14 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.65 1ywl h GLU 60 Cb 1.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1ywl h GLU 60 CO 0.14 0.21 -0.37 0.95 0.07 0.00 0.00 179.01 180.02 1ywl s THR 61 N -3.07 5.31 0.22 -1.06 -4.23 -1.26 -4.85 115.64 106.70 1ywl s THR 61 Ca -0.01 0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.84 1ywl s THR 61 Cb 0.09 -3.53 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1ywl s THR 61 CO 0.79 0.55 1.69 0.03 -0.54 0.00 0.00 174.62 177.14 1ywl h ARG 62 N 4.68 0.94 -0.79 3.99 3.08 -1.97 -0.73 114.38 123.58 1ywl h ARG 62 Ca -0.53 -0.29 0.17 0.00 0.07 0.00 0.00 59.98 59.40 1ywl h ARG 62 Cb 1.22 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 1ywl h ARG 62 CO 0.61 0.94 0.28 0.77 -1.07 0.00 0.00 179.97 181.50 1ywl h SER 63 N 0.86 0.19 0.96 7.04 0.02 -1.99 1.38 113.55 122.01 1ywl h SER 63 Ca 0.16 0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 61.03 1ywl h SER 63 Cb 0.54 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1ywl h SER 63 CO 0.03 0.02 -1.00 -0.33 -1.14 0.00 0.00 176.83 174.41 1ywl h GLU 64 N 0.37 0.02 0.32 3.45 3.07 -1.91 -2.48 114.58 117.41 1ywl h GLU 64 Ca 0.46 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 1ywl h GLU 64 Cb 0.78 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1ywl h GLU 64 CO -0.48 1.00 -0.15 0.00 -1.40 0.00 0.00 179.01 177.98 1ywl h ALA 65 N 0.99 -0.42 -0.85 3.43 0.00 0.93 -0.75 119.26 122.58 1ywl h ALA 65 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ywl h ALA 65 Cb 1.76 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1ywl h ALA 65 CO 0.13 -0.57 0.56 0.00 0.00 0.00 0.00 179.25 179.38 1ywl h THR 66 N -0.77 1.20 0.38 0.00 1.03 0.16 -2.23 112.91 112.68 1ywl h THR 66 Ca -0.04 -0.39 -0.02 0.00 -0.01 0.00 0.00 66.41 65.95 1ywl h THR 66 Cb 0.51 -0.03 -0.00 0.00 -1.07 0.00 0.00 68.15 67.55 1ywl h THR 66 CO 0.07 0.21 -0.21 0.11 -0.01 0.00 0.00 175.52 175.69 1ywl h LYS 67 N 1.14 -0.54 -0.89 0.00 1.57 -1.36 0.53 116.57 117.02 1ywl h LYS 67 Ca 0.32 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.35 1ywl h LYS 67 Cb -0.10 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.21 1ywl h LYS 67 CO -0.07 -0.36 0.38 0.00 -0.57 0.00 0.00 179.45 178.83 1ywl h ALA 68 N 0.05 1.40 0.31 3.86 0.00 -0.70 0.29 119.26 124.48 1ywl h ALA 68 Ca -0.05 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ywl h ALA 68 Cb 0.44 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ywl h ALA 68 CO 0.06 -0.33 -0.15 1.49 0.00 0.00 0.00 179.25 180.32 1ywl h GLU 69 N 0.40 -0.41 -0.69 0.00 4.22 -0.80 -0.84 114.58 116.46 1ywl h GLU 69 Ca 0.55 0.03 0.14 0.00 0.08 0.00 0.00 59.36 60.15 1ywl h GLU 69 Cb 1.02 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.24 1ywl h GLU 69 CO -0.52 -0.08 -0.20 0.00 -2.18 0.00 0.00 179.01 176.04 1ywl h ALA 70 N -0.32 0.40 -0.40 2.92 0.00 0.15 0.43 119.26 122.43 1ywl h ALA 70 Ca -0.04 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ywl h ALA 70 Cb 0.52 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ywl h ALA 70 CO 0.07 -0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.12 1ywl h ALA 71 N 1.62 0.51 0.00 0.00 0.00 -0.48 0.12 119.26 121.03 1ywl h ALA 71 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ywl h ALA 71 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ywl h ALA 71 CO -0.72 -0.06 0.15 0.35 0.00 0.00 0.00 179.25 178.97 1ywl h PHE 72 N 0.51 0.00 0.11 0.00 3.57 0.13 0.40 116.94 121.67 1ywl h PHE 72 Ca 0.15 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.37 1ywl h PHE 72 Cb -0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1ywl h PHE 72 CO -0.06 0.00 -1.32 -0.22 -2.23 0.00 0.00 178.31 174.48 1ywl h LYS 73 N 0.00 0.23 -0.83 1.11 3.64 0.76 -3.20 116.57 118.29 1ywl h LYS 73 Ca 0.00 -0.39 -0.16 0.00 -1.27 0.00 0.00 60.65 58.82 1ywl h LYS 73 Cb 0.30 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1ywl h LYS 73 CO 0.00 1.15 0.21 0.36 -2.27 0.00 0.00 179.45 178.89 1ywl n LYS 74 N -3.48 3.03 -4.31 1.90 2.85 0.14 -4.89 118.16 113.41 1ywl n LYS 74 Ca -0.10 -2.27 -0.16 0.00 -1.05 0.00 0.00 58.31 54.73 1ywl n LYS 74 Cb 1.02 -1.98 -0.10 0.00 -0.65 0.00 0.00 35.03 33.32 1ywl n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ywl s LEU 75 N -2.19 1.76 0.37 -5.58 1.43 -0.92 -5.05 118.68 108.51 1ywl s LEU 75 Ca 0.41 -1.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.21 1ywl s LEU 75 Cb 0.32 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.50 1ywl s LEU 75 CO 0.10 -0.69 0.18 0.28 0.23 0.00 0.00 176.35 176.45 1ywl s THR 76 N -3.70 0.37 0.57 5.49 -1.32 -1.26 -4.89 115.64 110.89 1ywl s THR 76 Ca 0.35 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 59.01 1ywl s THR 76 Cb 0.07 -2.41 0.17 0.00 -1.51 0.00 0.00 72.50 68.83 1ywl s THR 76 CO 0.12 0.00 1.51 0.08 -2.21 0.00 0.00 174.62 174.12 1ywl h ARG 77 N 1.95 0.00 0.00 7.08 0.11 -1.99 0.34 114.38 121.87 1ywl h ARG 77 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1ywl h ARG 77 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ywl h ARG 77 CO 0.50 0.00 0.00 1.17 0.10 0.00 0.00 179.97 181.74 1ywl n LYS 78 N -2.61 0.00 -0.34 0.08 4.81 -1.26 -3.68 118.16 115.15 1ywl n LYS 78 Ca -0.01 0.07 0.32 0.00 -0.87 0.00 0.00 58.31 57.82 1ywl n LYS 78 Cb 0.58 -0.45 0.56 0.00 0.02 0.00 0.00 35.03 35.74 1ywl n LYS 78 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1ywl n GLN 79 N -2.07 -0.05 0.18 1.64 3.00 -1.00 0.18 117.38 119.27 1ywl n GLN 79 Ca 0.00 1.20 -0.14 0.00 -0.01 0.00 0.00 57.00 58.05 1ywl n GLN 79 Cb 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 30.24 27.92 1ywl n GLN 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ywl h LYS 80 N 0.00 -0.41 -0.57 -1.09 1.57 -0.54 1.46 116.57 116.98 1ywl h LYS 80 Ca 0.78 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.70 1ywl h LYS 80 Cb 2.24 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 34.53 1ywl h LYS 80 CO -0.59 -0.18 -0.21 1.49 -0.57 0.00 0.00 179.45 179.40 1ywl h GLU 81 N -0.58 -0.06 -0.03 3.15 4.57 0.19 0.61 114.58 122.42 1ywl h GLU 81 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1ywl h GLU 81 Cb 0.42 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1ywl h GLU 81 CO 0.07 -0.04 -0.04 1.96 -1.18 0.00 0.00 179.01 179.78 1ywl h GLN 82 N -0.06 0.09 -0.90 1.92 7.50 -1.17 -1.11 115.11 121.37 1ywl h GLN 82 Ca 0.27 -0.05 0.17 0.00 0.50 0.00 0.00 58.65 59.54 1ywl h GLN 82 Cb 0.48 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.85 1ywl h GLN 82 CO -0.62 0.58 -0.28 -0.92 -1.50 0.00 0.00 178.83 176.09 1ywl h TYR 83 N -0.41 -0.67 0.00 2.96 3.20 0.30 1.54 116.97 123.90 1ywl h TYR 83 Ca 0.00 0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1ywl h TYR 83 Cb 0.57 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1ywl h TYR 83 CO 0.10 -0.39 -0.49 -0.07 -1.64 0.00 0.00 178.16 175.67 1ywl h LEU 84 N -0.02 0.00 0.63 2.82 4.07 -0.94 -3.26 115.31 118.61 1ywl h LEU 84 Ca 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.33 1ywl h LEU 84 Cb 0.64 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1ywl h LEU 84 CO -0.92 0.49 -0.40 0.50 -1.08 0.00 0.00 178.44 177.03 1ywl h LYS 85 N 0.00 -0.94 -1.21 1.13 3.64 0.34 0.69 116.57 120.22 1ywl h LYS 85 Ca -0.00 0.06 0.35 0.00 -1.27 0.00 0.00 60.65 59.79 1ywl h LYS 85 Cb 1.14 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.08 1ywl h LYS 85 CO 0.06 -0.63 0.81 0.00 -2.27 0.00 0.00 179.45 177.42 1ywl h THR 86 N -0.98 0.35 0.18 1.00 1.03 -0.72 0.79 112.91 114.56 1ywl h THR 86 Ca -0.08 -0.07 -0.31 0.00 -0.01 0.00 0.00 66.41 65.95 1ywl h THR 86 Cb 0.80 0.15 0.02 0.00 -1.07 0.00 0.00 68.15 68.04 1ywl h THR 86 CO 0.07 0.03 -1.39 0.15 -0.01 0.00 0.00 175.52 174.37 1ywl h PHE 87 N 0.19 0.68 0.00 0.00 3.04 -1.37 -3.17 116.94 116.31 1ywl h PHE 87 Ca 0.67 -0.50 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ywl h PHE 87 Cb 2.12 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.60 1ywl h PHE 87 CO -0.00 1.42 0.00 1.58 -2.02 0.00 0.00 178.31 179.28 1ywl n HIS 88 N -3.59 0.44 -0.03 0.41 -0.00 0.24 -2.51 115.22 110.17 1ywl n HIS 88 Ca -0.13 0.17 -0.15 0.00 0.46 0.00 0.00 57.72 58.07 1ywl n HIS 88 Cb 1.06 -0.77 -0.10 0.00 -0.12 0.00 0.00 29.99 30.06 1ywl n HIS 88 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1ywl h LEU 89 N 0.00 0.29 -7.07 0.27 -0.00 -0.38 -3.43 115.31 105.00 1ywl h LEU 89 Ca 0.00 -0.66 -0.51 0.00 -0.00 0.00 0.00 57.88 56.71 1ywl h LEU 89 Cb 0.32 -0.09 -0.40 0.00 -0.00 0.00 0.00 40.66 40.49 1ywl h LEU 89 CO 0.00 0.91 -0.76 -1.61 -0.00 0.00 0.00 178.44 176.98 1ywl s GLU 90 N -3.57 0.35 0.67 1.13 8.01 -1.04 -5.12 118.70 119.12 1ywl s GLU 90 Ca -0.15 -0.41 -0.17 0.00 0.01 0.00 0.00 54.97 54.25 1ywl s GLU 90 Cb 0.03 -1.77 -0.01 0.00 -4.31 0.00 0.00 34.13 28.06 1ywl s GLU 90 CO 0.75 -0.78 1.10 1.58 0.01 0.00 0.00 175.26 177.92 1ywl n HIS 91 N 5.15 1.20 -1.42 1.61 -0.00 -1.23 -4.71 115.22 115.82 1ywl n HIS 91 Ca -0.07 0.42 0.18 0.00 -0.00 0.00 0.00 57.72 58.25 1ywl n HIS 91 Cb 0.46 -2.17 -0.07 0.00 -0.00 0.00 0.00 29.99 28.22 1ywl n HIS 91 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ywl n HIS 92 N -2.14 -3.61 0.19 1.57 8.25 -1.26 -5.01 115.22 113.21 1ywl n HIS 92 Ca 0.14 1.89 0.00 0.00 -0.26 0.00 0.00 57.72 59.50 1ywl n HIS 92 Cb 0.48 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 28.32 1ywl n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ywl n HIS 93 N -4.21 -3.58 -2.20 4.41 -0.00 -1.26 -5.11 115.22 103.27 1ywl n HIS 93 Ca -0.04 1.01 -0.35 0.00 0.46 0.00 0.00 57.72 58.81 1ywl n HIS 93 Cb 0.68 2.27 0.01 0.00 -0.12 0.00 0.00 29.99 32.83 1ywl n HIS 93 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1ywl s HIS 94 N -1.93 2.65 0.05 1.57 2.46 -1.26 -4.98 115.29 113.85 1ywl s HIS 94 Ca 0.00 1.54 -0.01 0.00 0.47 0.00 0.00 55.06 57.06 1ywl s HIS 94 Cb 0.00 -3.29 -0.00 0.00 -0.13 0.00 0.00 32.58 29.16 1ywl s HIS 94 CO 0.00 -1.62 -0.03 0.72 -2.47 0.00 0.00 174.74 171.34 1ywl n HIS 95 N -1.42 0.00 -1.85 3.88 8.25 -1.26 -5.25 115.22 117.58 1ywl n HIS 95 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1ywl n HIS 95 Cb 0.51 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1ywl n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56