#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 0.53 -0.02 3.17 -1.05 -1.26 -4.72 118.70 115.35 1ywl s GLU 2 Ca 0.00 0.76 -0.02 0.00 -0.15 0.00 0.00 54.97 55.55 1ywl s GLU 2 Cb 0.00 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 1ywl s GLU 2 CO 0.00 -0.77 0.05 0.09 0.95 0.00 0.00 175.26 175.58 1ywl n ASN 3 N 5.41 -7.61 -3.65 0.83 3.02 -1.26 -4.96 115.26 107.04 1ywl n ASN 3 Ca 0.00 1.76 -0.01 0.00 -0.03 0.00 0.00 54.58 56.31 1ywl n ASN 3 Cb 0.52 -5.15 -0.06 0.00 -0.61 0.00 0.00 39.78 34.47 1ywl n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ywl s LYS 4 N -0.60 0.27 1.06 3.52 2.47 -1.26 -5.00 119.74 120.20 1ywl s LYS 4 Ca -0.06 0.47 -0.16 0.00 -1.56 0.00 0.00 55.97 54.67 1ywl s LYS 4 Cb 0.00 0.05 0.10 0.00 -1.46 0.00 0.00 37.83 36.53 1ywl s LYS 4 CO 0.15 -0.06 0.27 0.36 0.16 0.00 0.00 175.35 176.24 1ywl n LYS 5 N 3.51 -1.17 0.00 4.03 2.85 -1.26 -4.74 118.16 121.38 1ywl n LYS 5 Ca -0.18 -0.31 0.00 0.00 -1.05 0.00 0.00 58.31 56.76 1ywl n LYS 5 Cb 0.57 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1ywl n LYS 5 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ywl n SER 6 N -1.92 -0.12 -4.28 -5.58 7.64 -1.26 -4.84 113.62 103.27 1ywl n SER 6 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 1ywl n SER 6 Cb 0.58 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.62 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 2.70 -0.26 1.43 3.76 -1.00 -4.64 115.29 117.28 1ywl s HIS 7 Ca 0.00 -0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 53.92 1ywl s HIS 7 Cb 0.00 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1ywl s HIS 7 CO 0.00 -0.37 0.04 0.71 -0.85 0.00 0.00 174.74 174.26 1ywl s TYR 8 N 0.47 3.07 -0.17 1.40 1.51 -0.94 -1.89 117.35 120.80 1ywl s TYR 8 Ca -0.13 -0.84 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 1ywl s TYR 8 Cb -0.17 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1ywl s TYR 8 CO 0.05 -0.52 0.45 0.12 -1.11 0.00 0.00 175.55 174.55 1ywl s PHE 9 N 1.52 3.42 0.28 2.71 2.19 0.46 -1.36 117.98 127.20 1ywl s PHE 9 Ca 0.04 0.74 0.03 0.00 0.33 0.00 0.00 56.93 58.08 1ywl s PHE 9 Cb -0.16 -2.56 -0.04 0.00 -1.31 0.00 0.00 43.02 38.95 1ywl s PHE 9 CO 0.01 0.03 0.18 1.52 1.83 0.00 0.00 175.22 178.79 1ywl s TYR 10 N 1.15 1.53 -0.03 10.12 1.13 -0.32 0.63 117.35 131.56 1ywl s TYR 10 Ca 0.22 -1.44 -0.00 0.00 -1.41 0.00 0.00 57.07 54.44 1ywl s TYR 10 Cb -0.15 -0.75 0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1ywl s TYR 10 CO 0.09 -0.63 0.03 0.08 -2.51 0.00 0.00 175.55 172.61 1ywl s VAL 11 N -3.70 -0.04 -0.10 -3.49 1.01 0.19 -1.65 120.40 112.62 1ywl s VAL 11 Ca 0.38 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 1ywl s VAL 11 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1ywl s VAL 11 CO 0.18 0.12 0.19 -0.76 0.00 0.00 0.00 175.10 174.83 1ywl s LEU 12 N 1.31 4.40 -0.04 3.92 1.02 -0.85 -3.25 118.68 125.20 1ywl s LEU 12 Ca -0.06 0.55 0.04 0.00 0.02 0.00 0.00 54.13 54.68 1ywl s LEU 12 Cb -0.13 -2.16 -0.00 0.00 0.02 0.00 0.00 46.19 43.92 1ywl s LEU 12 CO -0.03 0.39 -0.16 -0.22 0.02 0.00 0.00 176.35 176.35 1ywl s LEU 13 N -1.00 1.88 0.37 1.79 0.20 -0.82 -2.02 118.68 119.08 1ywl s LEU 13 Ca 0.16 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.73 1ywl s LEU 13 Cb -0.13 -0.90 -0.02 0.00 -0.43 0.00 0.00 46.19 44.70 1ywl s LEU 13 CO 0.06 0.13 0.32 0.00 -0.29 0.00 0.00 176.35 176.57 1ywl h GLN 15 N 1.17 0.31 -0.38 0.00 1.08 -1.96 0.28 115.11 115.61 1ywl h GLN 15 Ca -0.43 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 56.70 1ywl h GLN 15 Cb 1.26 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1ywl h GLN 15 CO 0.58 0.20 0.04 -0.44 -0.95 0.00 0.00 178.83 178.26 1ywl h ASP 16 N 0.32 0.63 0.00 1.46 5.19 -1.95 -3.47 116.42 118.60 1ywl h ASP 16 Ca 0.48 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1ywl h ASP 16 Cb 1.33 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1ywl h ASP 16 CO -0.16 0.75 0.00 0.61 -3.12 0.00 0.00 179.24 177.32 1ywl n GLY 17 N -0.43 0.97 3.56 2.75 0.00 1.00 -5.11 105.19 107.92 1ywl n GLY 17 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.50 6.04 -0.26 1.61 0.15 -1.26 -4.87 113.70 113.62 1ywl s SER 18 Ca 0.00 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 1ywl s SER 18 Cb 0.00 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.13 1ywl s SER 18 CO 0.00 -0.13 0.23 -0.36 1.20 0.00 0.00 173.24 174.18 1ywl s PHE 19 N 1.75 3.27 -0.21 3.44 0.08 -1.25 -3.32 117.98 121.74 1ywl s PHE 19 Ca 0.07 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.37 1ywl s PHE 19 Cb -0.17 -2.39 0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1ywl s PHE 19 CO 0.11 -0.09 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.61 1ywl s TYR 20 N 1.56 2.18 0.27 0.36 5.04 -0.86 -4.94 117.35 120.97 1ywl s TYR 20 Ca 0.10 -1.52 -0.16 0.00 -2.44 0.00 0.00 57.07 53.04 1ywl s TYR 20 Cb -0.15 -1.51 -0.08 0.00 0.35 0.00 0.00 41.96 40.56 1ywl s TYR 20 CO 0.09 -0.72 0.71 0.20 -1.34 0.00 0.00 175.55 174.48 1ywl s GLY 21 N 1.47 2.45 -0.20 8.97 0.00 -1.26 -2.01 107.32 116.74 1ywl s GLY 21 Ca -0.03 0.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1ywl s GLY 21 CO -0.07 0.33 0.80 -0.32 0.00 0.00 0.00 173.10 173.84 1ywl s GLY 22 N -2.01 -0.44 -0.29 0.20 0.00 -0.66 -4.99 107.32 99.13 1ywl s GLY 22 Ca 0.49 1.97 0.00 0.00 0.00 0.00 0.00 44.72 47.18 1ywl s GLY 22 CO 0.19 1.47 -0.04 -2.52 0.00 0.00 0.00 173.10 172.21 1ywl s TYR 23 N -0.24 3.28 0.25 1.90 1.13 -1.26 -1.17 117.35 121.24 1ywl s TYR 23 Ca -0.03 -2.07 -0.19 0.00 -1.41 0.00 0.00 57.07 53.38 1ywl s TYR 23 Cb -0.03 -2.07 0.07 0.00 -1.10 0.00 0.00 41.96 38.83 1ywl s TYR 23 CO 0.02 -0.84 0.95 -2.37 -2.51 0.00 0.00 175.55 170.81 1ywl n THR 24 N 4.55 0.00 -4.12 -3.49 5.66 -0.46 -4.78 114.28 111.63 1ywl n THR 24 Ca -0.13 -0.69 -0.33 0.00 -3.05 0.00 0.00 64.05 59.85 1ywl n THR 24 Cb 0.43 0.83 -0.15 0.00 -1.55 0.00 0.00 70.33 69.89 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 -2.08 2.43 -0.10 1.09 -4.23 -1.26 -2.21 115.64 109.28 1ywl s THR 25 Ca 0.21 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1ywl s THR 25 Cb -0.03 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1ywl s THR 25 CO 0.07 0.51 0.10 -0.62 -0.54 0.00 0.00 174.62 174.15 1ywl n GLU 26 N 4.60 -0.24 0.00 3.99 1.02 -1.26 -4.83 120.64 123.92 1ywl n GLU 26 Ca -0.20 0.67 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1ywl n GLU 26 Cb 0.50 -2.14 0.70 0.00 -0.02 0.00 0.00 31.44 30.48 1ywl n GLU 26 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ywl n PRO 27 N -0.96 0.70 0.25 3.49 -0.04 -1.26 -3.50 135.00 133.67 1ywl n PRO 27 Ca 0.00 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1ywl n PRO 27 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.66 -0.56 0.54 4.39 -1.91 0.44 114.58 116.82 1ywl h GLU 28 Ca 0.00 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1ywl h GLU 28 Cb 0.03 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1ywl h GLU 28 CO 0.00 -0.42 0.14 0.07 -1.16 0.00 0.00 179.01 177.63 1ywl h ARG 29 N -1.17 0.86 -0.27 2.33 0.11 -1.95 0.86 114.38 115.15 1ywl h ARG 29 Ca -0.07 -0.18 -0.14 0.00 0.10 0.00 0.00 59.98 59.69 1ywl h ARG 29 Cb 0.54 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1ywl h ARG 29 CO 0.12 0.77 -0.42 -0.09 0.10 0.00 0.00 179.97 180.44 1ywl h ARG 30 N 0.82 0.65 0.34 0.08 2.43 -1.61 -1.84 114.38 115.24 1ywl h ARG 30 Ca 0.18 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1ywl h ARG 30 Cb 0.30 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ywl h ARG 30 CO -0.00 0.95 -0.16 1.25 -1.51 0.00 0.00 179.97 180.50 1ywl h LEU 31 N 0.53 -0.38 -1.18 3.80 5.85 0.40 -3.16 115.31 121.17 1ywl h LEU 31 Ca 0.04 0.01 0.33 0.00 0.84 0.00 0.00 57.88 59.10 1ywl h LEU 31 Cb 0.95 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.95 1ywl h LEU 31 CO 0.09 -0.15 0.66 0.00 -0.34 0.00 0.00 178.44 178.70 1ywl h THR 32 N -0.70 0.33 -0.73 1.05 1.03 -0.93 0.23 112.91 113.20 1ywl h THR 32 Ca -0.05 -0.11 0.14 0.00 -0.01 0.00 0.00 66.41 66.39 1ywl h THR 32 Cb 0.34 -0.00 -0.14 0.00 -1.07 0.00 0.00 68.15 67.28 1ywl h THR 32 CO 0.08 0.06 -0.23 -0.08 -0.01 0.00 0.00 175.52 175.33 1ywl h GLU 33 N 0.31 -0.04 -0.03 0.00 4.81 -1.30 1.11 114.58 119.44 1ywl h GLU 33 Ca 0.71 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.94 1ywl h GLU 33 Cb 1.80 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.18 1ywl h GLU 33 CO -0.48 -0.03 0.00 1.25 -0.73 0.00 0.00 179.01 179.03 1ywl h HIS 34 N -0.04 0.06 -0.04 0.92 2.76 -0.60 -1.40 115.15 116.80 1ywl h HIS 34 Ca 0.33 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1ywl h HIS 34 Cb 0.55 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1ywl h HIS 34 CO -0.62 0.32 0.19 -0.91 -1.30 0.00 0.00 177.93 175.61 1ywl h ASN 35 N -0.22 0.00 -0.38 3.26 2.35 -0.55 0.83 115.58 120.88 1ywl h ASN 35 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1ywl h ASN 35 Cb 0.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1ywl h ASN 35 CO 0.00 0.00 0.03 -0.24 -1.65 0.00 0.00 177.43 175.58 1ywl n SER 36 N -3.16 3.90 0.00 5.81 2.88 0.36 -5.04 113.62 118.37 1ywl n SER 36 Ca -0.01 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1ywl n SER 36 Cb 0.26 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1ywl n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ywl n GLY 37 N -0.51 -1.92 2.60 0.46 0.00 0.29 -4.97 105.19 101.15 1ywl n GLY 37 Ca 0.27 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1ywl n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ywl s THR 38 N -0.97 -0.15 -1.25 2.61 2.01 -1.25 -4.32 115.64 112.31 1ywl s THR 38 Ca 0.00 -1.63 -0.10 0.00 0.31 0.00 0.00 61.69 60.27 1ywl s THR 38 Cb 0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1ywl s THR 38 CO 0.00 -0.77 0.66 0.61 -0.69 0.00 0.00 174.62 174.43 1ywl n GLY 39 N 3.57 -0.63 3.60 4.40 0.00 -1.26 -4.97 105.19 109.89 1ywl n GLY 39 Ca 0.18 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.66 -0.09 0.87 4.61 0.00 -1.26 -5.16 121.76 117.07 1ywl s ALA 40 Ca 0.24 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1ywl s ALA 40 Cb -0.08 1.04 0.12 0.00 0.00 0.00 0.00 23.12 24.20 1ywl s ALA 40 CO 0.86 -0.86 1.10 -1.59 0.00 0.00 0.00 175.76 175.27 1ywl s LYS 41 N -3.63 1.42 0.54 0.00 -2.85 -1.26 -5.02 119.74 108.93 1ywl s LYS 41 Ca 0.23 1.07 -0.08 0.00 -1.00 0.00 0.00 55.97 56.19 1ywl s LYS 41 Cb -0.01 -1.81 -0.04 0.00 -2.06 0.00 0.00 37.83 33.91 1ywl s LYS 41 CO 0.12 -2.20 0.89 1.52 0.10 0.00 0.00 175.35 175.78 1ywl s TYR 42 N -2.84 3.58 -0.03 1.78 1.13 -1.26 -4.97 117.35 114.74 1ywl s TYR 42 Ca 0.63 1.00 -0.01 0.00 -1.41 0.00 0.00 57.07 57.29 1ywl s TYR 42 Cb -0.19 -2.49 0.03 0.00 -1.10 0.00 0.00 41.96 38.21 1ywl s TYR 42 CO 0.57 -0.47 0.06 0.95 -2.51 0.00 0.00 175.55 174.16 1ywl s THR 43 N -2.93 -0.07 -0.17 -3.49 -4.23 -1.26 -5.01 115.64 98.48 1ywl s THR 43 Ca 0.51 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 61.47 1ywl s THR 43 Cb -0.11 -0.13 -0.18 0.00 1.34 0.00 0.00 72.50 73.42 1ywl s THR 43 CO 0.49 0.09 0.76 -2.11 -0.54 0.00 0.00 174.62 173.31 1ywl n ARG 44 N 4.30 0.60 0.06 3.99 1.85 -1.26 -4.07 116.66 122.13 1ywl n ARG 44 Ca -0.25 -0.05 -0.10 0.00 -1.00 0.00 0.00 57.85 56.45 1ywl n ARG 44 Cb 0.50 -1.66 0.01 0.00 -1.05 0.00 0.00 32.46 30.26 1ywl n ARG 44 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 1ywl h LEU 45 N 0.00 0.43 -3.33 2.89 8.10 -2.05 -3.48 115.31 117.86 1ywl h LEU 45 Ca 0.00 -0.31 -0.21 0.00 0.11 0.00 0.00 57.88 57.47 1ywl h LEU 45 Cb 0.98 -0.13 0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1ywl h LEU 45 CO 0.00 1.08 -1.08 0.00 -4.11 0.00 0.00 178.44 174.32 1ywl n ALA 46 N -2.51 -2.30 0.23 0.17 0.00 -1.26 -4.85 120.51 110.00 1ywl n ALA 46 Ca -0.05 0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 1ywl n ALA 46 Cb 0.76 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 1ywl n ALA 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ywl h LYS 47 N 2.67 -0.59 -5.36 0.00 3.64 -1.94 -3.48 116.57 111.51 1ywl h LYS 47 Ca -0.30 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1ywl h LYS 47 Cb 1.17 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 1ywl h LYS 47 CO 0.14 -0.39 -1.14 0.54 -2.27 0.00 0.00 179.45 176.33 1ywl n ARG 48 N -5.38 -3.54 -4.30 1.90 1.74 -1.26 -5.02 116.66 100.80 1ywl n ARG 48 Ca -0.10 2.76 -0.28 0.00 -0.77 0.00 0.00 57.85 59.46 1ywl n ARG 48 Cb 0.28 -3.93 -0.10 0.00 -1.02 0.00 0.00 32.46 27.69 1ywl n ARG 48 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ywl s ARG 49 N -0.63 1.92 0.54 5.56 1.70 -1.26 -5.12 118.95 121.65 1ywl s ARG 49 Ca -0.18 -1.25 -0.18 0.00 -0.47 0.00 0.00 55.73 53.65 1ywl s ARG 49 Cb 0.01 -2.12 -0.06 0.00 -0.57 0.00 0.00 34.95 32.21 1ywl s ARG 49 CO 0.57 0.45 1.04 -1.25 -1.08 0.00 0.00 175.30 175.04 1ywl s PRO 50 N -2.55 3.59 -0.03 3.89 0.04 -1.26 -5.04 135.00 133.63 1ywl s PRO 50 Ca 0.22 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1ywl s PRO 50 Cb -0.09 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ywl s PRO 50 CO 0.13 -0.60 -0.02 0.14 0.04 0.00 0.00 177.00 176.69 1ywl s VAL 51 N -2.24 0.31 0.25 -0.36 -7.23 -1.26 -4.20 120.40 105.68 1ywl s VAL 51 Ca 0.65 -0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.91 1ywl s VAL 51 Cb -0.16 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 1ywl s VAL 51 CO 0.28 0.17 -0.15 0.27 -0.31 0.00 0.00 175.10 175.36 1ywl s ILE 52 N 0.92 2.05 -0.23 -0.62 -4.36 -0.96 -4.89 121.20 113.12 1ywl s ILE 52 Ca -0.10 -2.28 -0.10 0.00 -0.26 0.00 0.00 60.65 57.91 1ywl s ILE 52 Cb -0.14 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 1ywl s ILE 52 CO -0.01 -0.45 0.13 -0.04 0.24 0.00 0.00 174.94 174.82 1ywl s MET 53 N -3.60 4.04 0.00 0.37 -1.94 -1.26 -1.94 119.30 114.97 1ywl s MET 53 Ca 0.27 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1ywl s MET 53 Cb -0.02 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1ywl s MET 53 CO 0.11 0.11 0.00 0.44 -0.01 0.00 0.00 175.02 175.67 1ywl n ILE 54 N 4.12 0.00 -3.83 2.53 -0.00 -1.20 -5.00 119.36 115.98 1ywl n ILE 54 Ca -0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.24 1ywl n ILE 54 Cb 0.52 -0.44 -0.13 0.00 -0.00 0.00 0.00 39.64 39.59 1ywl n ILE 54 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1ywl s HIS 55 N -1.88 3.06 0.06 4.28 2.46 -1.26 -4.92 115.29 117.09 1ywl s HIS 55 Ca 0.00 -0.50 0.06 0.00 0.47 0.00 0.00 55.06 55.09 1ywl s HIS 55 Cb 0.00 -2.19 -0.03 0.00 -0.13 0.00 0.00 32.58 30.23 1ywl s HIS 55 CO 0.00 -0.36 -0.16 0.95 -2.47 0.00 0.00 174.74 172.70 1ywl s THR 56 N 1.48 1.28 -0.29 0.89 -4.23 -1.26 -0.64 115.64 112.87 1ywl s THR 56 Ca 0.06 -1.23 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 1ywl s THR 56 Cb -0.15 -1.18 0.13 0.00 1.34 0.00 0.00 72.50 72.65 1ywl s THR 56 CO 0.02 -0.07 0.95 -1.61 -0.54 0.00 0.00 174.62 173.37 1ywl s GLU 57 N -1.51 0.46 0.14 3.99 0.41 0.20 -4.96 118.70 117.44 1ywl s GLU 57 Ca 0.02 0.72 0.08 0.00 -0.41 0.00 0.00 54.97 55.37 1ywl s GLU 57 Cb -0.09 0.13 -0.04 0.00 -1.78 0.00 0.00 34.13 32.35 1ywl s GLU 57 CO 0.02 -0.08 -0.10 0.15 -0.49 0.00 0.00 175.26 174.76 1ywl s LYS 58 N 1.06 2.07 -0.21 1.61 3.01 -1.26 0.17 119.74 126.19 1ywl s LYS 58 Ca -0.06 -1.15 -0.04 0.00 -1.01 0.00 0.00 55.97 53.71 1ywl s LYS 58 Cb -0.04 -2.22 0.11 0.00 -1.01 0.00 0.00 37.83 34.66 1ywl s LYS 58 CO -0.13 0.47 0.33 -0.06 0.51 0.00 0.00 175.35 176.47 1ywl s PHE 59 N -1.45 -0.64 0.02 3.18 0.08 -0.79 -4.94 117.98 113.44 1ywl s PHE 59 Ca 0.23 0.85 -0.21 0.00 0.12 0.00 0.00 56.93 57.91 1ywl s PHE 59 Cb -0.10 -0.02 -0.17 0.00 -0.57 0.00 0.00 43.02 42.16 1ywl s PHE 59 CO 0.14 -0.60 1.27 1.49 -0.10 0.00 0.00 175.22 177.43 1ywl h GLU 60 N 8.23 0.32 -6.23 0.44 4.81 -1.94 -2.65 114.58 117.55 1ywl h GLU 60 Ca -0.17 -0.20 -0.46 0.00 -0.13 0.00 0.00 59.36 58.40 1ywl h GLU 60 Cb 1.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ywl h GLU 60 CO 0.23 0.78 -0.41 0.95 -0.73 0.00 0.00 179.01 179.83 1ywl s THR 61 N -4.04 4.89 0.10 0.32 -4.23 -1.26 -4.71 115.64 106.71 1ywl s THR 61 Ca -0.14 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1ywl s THR 61 Cb 0.04 -3.71 -0.25 0.00 1.34 0.00 0.00 72.50 69.92 1ywl s THR 61 CO 0.75 -0.28 1.20 -0.09 -0.54 0.00 0.00 174.62 175.66 1ywl h ARG 62 N 1.10 0.25 0.11 3.99 2.43 -1.98 -2.95 114.38 117.32 1ywl h ARG 62 Ca -0.50 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.31 1ywl h ARG 62 Cb 1.24 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.88 1ywl h ARG 62 CO 0.59 1.16 -0.40 0.77 -1.51 0.00 0.00 179.97 180.58 1ywl h SER 63 N 0.08 -1.17 0.45 -3.80 0.02 -1.99 0.53 113.55 107.67 1ywl h SER 63 Ca -0.10 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ywl h SER 63 Cb 1.86 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 64.84 1ywl h SER 63 CO 0.18 -0.47 -0.10 -0.33 -1.14 0.00 0.00 176.83 174.97 1ywl h GLU 64 N -0.62 0.00 0.04 3.45 4.39 -1.99 -2.02 114.58 117.83 1ywl h GLU 64 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ywl h GLU 64 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1ywl h GLU 64 CO -0.24 0.10 -0.02 0.00 -1.16 0.00 0.00 179.01 177.69 1ywl h ALA 65 N 1.90 -0.49 -0.46 3.43 0.00 -0.75 -0.65 119.26 122.23 1ywl h ALA 65 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1ywl h ALA 65 Cb 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ywl h ALA 65 CO 0.01 -0.49 0.63 0.00 0.00 0.00 0.00 179.25 179.40 1ywl h THR 66 N -0.10 0.21 -0.01 0.00 1.03 -0.05 0.69 112.91 114.67 1ywl h THR 66 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.29 1ywl h THR 66 Cb 0.04 0.47 0.01 0.00 -1.07 0.00 0.00 68.15 67.60 1ywl h THR 66 CO 0.01 0.00 -0.41 0.50 -0.01 0.00 0.00 175.52 175.61 1ywl h LYS 67 N 0.00 0.30 -0.11 0.00 3.64 -1.33 -1.03 116.57 118.05 1ywl h LYS 67 Ca 0.22 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1ywl h LYS 67 Cb 1.48 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1ywl h LYS 67 CO -0.00 0.99 -0.29 0.00 -2.27 0.00 0.00 179.45 177.88 1ywl h ALA 68 N 0.32 1.31 -0.00 5.00 0.00 0.18 -2.36 119.26 123.71 1ywl h ALA 68 Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ywl h ALA 68 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ywl h ALA 68 CO 0.08 0.48 -0.00 1.49 0.00 0.00 0.00 179.25 181.30 1ywl h GLU 69 N 0.18 0.01 -0.79 0.00 4.22 -0.56 -0.46 114.58 117.18 1ywl h GLU 69 Ca 0.03 -0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.60 1ywl h GLU 69 Cb 0.62 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1ywl h GLU 69 CO 0.04 0.50 0.35 0.00 -2.18 0.00 0.00 179.01 177.73 1ywl h ALA 70 N 0.51 1.14 0.43 2.92 0.00 -1.03 0.52 119.26 123.76 1ywl h ALA 70 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ywl h ALA 70 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ywl h ALA 70 CO 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 179.25 178.88 1ywl h ALA 71 N 1.55 -0.58 -0.33 0.00 0.00 -1.37 -2.08 119.26 116.44 1ywl h ALA 71 Ca 0.43 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1ywl h ALA 71 Cb 0.63 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ywl h ALA 71 CO -0.38 -0.71 0.36 0.35 0.00 0.00 0.00 179.25 178.87 1ywl h PHE 72 N -0.82 0.00 0.00 0.00 3.04 -0.08 1.36 116.94 120.43 1ywl h PHE 72 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1ywl h PHE 72 Cb 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1ywl h PHE 72 CO 0.00 0.00 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.01 1ywl h LYS 73 N 0.00 0.00 -0.01 1.11 3.64 0.43 -2.95 116.57 118.78 1ywl h LYS 73 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1ywl h LYS 73 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ywl h LYS 73 CO -0.00 0.00 -0.59 1.17 -2.27 0.00 0.00 179.45 177.76 1ywl n LYS 74 N -2.44 0.86 -2.95 1.90 4.81 0.45 -4.94 118.16 115.86 1ywl n LYS 74 Ca 0.05 -0.70 -0.26 0.00 -0.87 0.00 0.00 58.31 56.53 1ywl n LYS 74 Cb 0.46 -1.49 -0.00 0.00 0.02 0.00 0.00 35.03 34.02 1ywl n LYS 74 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ywl s LEU 75 N -2.62 3.77 0.00 3.14 1.43 -0.24 -5.06 118.68 119.11 1ywl s LEU 75 Ca 0.16 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 1ywl s LEU 75 Cb 0.18 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1ywl s LEU 75 CO 0.65 -0.48 0.11 1.07 0.23 0.00 0.00 176.35 177.92 1ywl n THR 76 N -2.07 0.00 0.31 5.49 5.66 -1.26 -4.92 114.28 117.49 1ywl n THR 76 Ca -0.01 -1.59 0.11 0.00 -3.05 0.00 0.00 64.05 59.51 1ywl n THR 76 Cb 0.56 0.59 0.61 0.00 -1.55 0.00 0.00 70.33 70.54 1ywl n THR 76 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 1ywl h ARG 77 N 0.00 0.00 0.00 1.09 0.11 -1.99 0.31 114.38 113.90 1ywl h ARG 77 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1ywl h ARG 77 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1ywl h ARG 77 CO 0.32 0.00 0.00 1.17 0.10 0.00 0.00 179.97 181.56 1ywl n LYS 78 N -2.70 0.00 -0.37 0.08 3.00 -1.26 -2.20 118.16 114.71 1ywl n LYS 78 Ca -0.01 0.19 0.30 0.00 -0.00 0.00 0.00 58.31 58.78 1ywl n LYS 78 Cb 0.48 -0.63 0.57 0.00 0.00 0.00 0.00 35.03 35.45 1ywl n LYS 78 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ywl h GLN 79 N 0.00 0.16 0.58 1.64 1.08 -1.84 0.86 115.11 117.59 1ywl h GLN 79 Ca 0.00 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1ywl h GLN 79 Cb 0.00 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1ywl h GLN 79 CO 0.00 0.11 -0.28 0.87 -0.95 0.00 0.00 178.83 178.57 1ywl h LYS 80 N 0.16 -0.75 0.00 1.46 1.57 -0.57 -2.19 116.57 116.25 1ywl h LYS 80 Ca 0.79 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.62 1ywl h LYS 80 Cb 2.13 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.61 1ywl h LYS 80 CO -0.57 -0.45 0.05 1.49 -0.57 0.00 0.00 179.45 179.39 1ywl h GLU 81 N -1.11 0.00 0.02 3.15 4.57 -0.01 0.41 114.58 121.61 1ywl h GLU 81 Ca -0.08 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.83 1ywl h GLU 81 Cb 0.65 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.26 1ywl h GLU 81 CO 0.13 0.00 -1.07 1.96 -1.18 0.00 0.00 179.01 178.85 1ywl h GLN 82 N 0.00 0.66 0.00 1.92 1.08 0.90 -2.81 115.11 116.86 1ywl h GLN 82 Ca 0.00 -0.74 -0.08 0.00 -1.45 0.00 0.00 58.65 56.39 1ywl h GLN 82 Cb 0.09 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1ywl h GLN 82 CO 0.00 1.32 -0.36 -0.92 -0.95 0.00 0.00 178.83 177.92 1ywl h TYR 83 N 0.36 0.00 -0.00 2.96 5.03 -0.31 -1.05 116.97 123.96 1ywl h TYR 83 Ca -0.14 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1ywl h TYR 83 Cb 1.73 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.01 1ywl h TYR 83 CO 0.10 0.36 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.23 1ywl h LEU 84 N 0.00 0.00 0.65 2.82 -0.00 -1.41 -1.50 115.31 115.88 1ywl h LEU 84 Ca -0.00 -0.50 -0.03 0.00 -0.00 0.00 0.00 57.88 57.34 1ywl h LEU 84 Cb 0.93 -0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1ywl h LEU 84 CO 0.05 0.51 -0.31 0.50 -0.00 0.00 0.00 178.44 179.18 1ywl h LYS 85 N -0.50 -0.84 -0.31 1.13 3.64 -1.47 0.44 116.57 118.65 1ywl h LYS 85 Ca 0.00 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1ywl h LYS 85 Cb 0.51 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ywl h LYS 85 CO 0.00 -0.53 0.56 0.00 -2.27 0.00 0.00 179.45 177.21 1ywl h THR 86 N -1.15 0.16 0.07 1.00 1.03 -1.29 0.70 112.91 113.43 1ywl h THR 86 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 65.98 1ywl h THR 86 Cb 0.70 0.51 -0.03 0.00 -1.07 0.00 0.00 68.15 68.26 1ywl h THR 86 CO 0.15 0.00 -1.84 0.15 -0.01 0.00 0.00 175.52 173.97 1ywl h PHE 87 N 0.00 0.28 -0.03 0.00 3.57 -0.85 -3.29 116.94 116.62 1ywl h PHE 87 Ca 0.15 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ywl h PHE 87 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1ywl h PHE 87 CO 0.00 1.43 -0.05 1.25 -2.23 0.00 0.00 178.31 178.71 1ywl h HIS 88 N 0.04 0.10 -0.29 0.41 2.76 0.48 -3.28 115.15 115.37 1ywl h HIS 88 Ca -0.35 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 57.83 1ywl h HIS 88 Cb 2.03 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 30.89 1ywl h HIS 88 CO 0.04 0.62 -0.48 -0.07 -1.30 0.00 0.00 177.93 176.74 1ywl h LEU 89 N -0.45 -1.57 -7.38 0.26 3.38 -0.24 -3.43 115.31 105.89 1ywl h LEU 89 Ca 0.00 0.21 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1ywl h LEU 89 Cb 0.61 0.65 -0.24 0.00 0.09 0.00 0.00 40.66 41.77 1ywl h LEU 89 CO 0.01 -0.41 -0.31 -1.61 0.09 0.00 0.00 178.44 176.21 1ywl s GLU 90 N -5.79 0.42 -0.01 1.13 2.02 -1.24 -5.07 118.70 110.16 1ywl s GLU 90 Ca -0.15 0.45 -0.05 0.00 0.02 0.00 0.00 54.97 55.24 1ywl s GLU 90 Cb 0.10 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.51 1ywl s GLU 90 CO 0.63 -0.05 -0.10 -2.39 0.02 0.00 0.00 175.26 173.37 1ywl n HIS 91 N 2.81 0.00 -2.62 1.61 1.44 -1.24 -4.25 115.22 112.97 1ywl n HIS 91 Ca -0.13 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.52 1ywl n HIS 91 Cb 0.58 -0.14 0.01 0.00 0.12 0.00 0.00 29.99 30.55 1ywl n HIS 91 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1ywl n HIS 92 N -3.48 -2.75 -2.04 -1.40 -0.00 -1.26 -4.92 115.22 99.36 1ywl n HIS 92 Ca -0.04 1.10 -0.41 0.00 0.46 0.00 0.00 57.72 58.83 1ywl n HIS 92 Cb 0.14 -3.60 -0.02 0.00 -0.12 0.00 0.00 29.99 26.40 1ywl n HIS 92 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1ywl s HIS 93 N -2.41 2.97 -0.16 1.57 3.76 -1.26 -5.01 115.29 114.75 1ywl s HIS 93 Ca 0.17 1.26 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 1ywl s HIS 93 Cb -0.05 -3.77 0.02 0.00 1.11 0.00 0.00 32.58 29.89 1ywl s HIS 93 CO 0.62 -2.26 -0.18 -1.58 -0.85 0.00 0.00 174.74 170.49 1ywl s HIS 94 N -0.79 2.52 -0.28 1.40 2.46 -1.26 -5.09 115.29 114.25 1ywl s HIS 94 Ca 0.53 -1.45 -0.29 0.00 0.47 0.00 0.00 55.06 54.31 1ywl s HIS 94 Cb -0.41 -1.78 -0.00 0.00 -0.13 0.00 0.00 32.58 30.26 1ywl s HIS 94 CO 0.51 -0.74 1.34 -1.58 -2.47 0.00 0.00 174.74 171.80 1ywl s HIS 95 N 1.34 2.62 0.00 3.88 2.46 -1.26 -5.34 115.29 119.00 1ywl s HIS 95 Ca 0.04 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.41 1ywl s HIS 95 Cb -0.13 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 1ywl s HIS 95 CO -0.11 -1.86 0.00 1.58 -2.47 0.00 0.00 174.74 171.87