#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 0.00 -3.64 0.03 0.28 -1.26 -5.10 120.64 110.94 1ywl n GLU 2 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 1ywl n GLU 2 Cb 0.00 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.72 1ywl n GLU 2 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1ywl s ASN 3 N 0.00 3.55 -0.34 -1.84 0.01 -1.26 -4.95 114.94 110.10 1ywl s ASN 3 Ca 0.00 -1.30 0.08 0.00 -0.71 0.00 0.00 52.86 50.93 1ywl s ASN 3 Cb 0.00 -0.56 0.45 0.00 0.41 0.00 0.00 41.25 41.55 1ywl s ASN 3 CO 0.00 -0.41 1.14 2.29 -1.51 0.00 0.00 177.10 178.61 1ywl n LYS 4 N 5.08 3.26 -3.64 -0.60 2.85 -1.26 0.14 118.16 124.00 1ywl n LYS 4 Ca -0.05 -4.19 -0.04 0.00 -1.05 0.00 0.00 58.31 52.98 1ywl n LYS 4 Cb 0.43 -2.16 -0.06 0.00 -0.65 0.00 0.00 35.03 32.60 1ywl n LYS 4 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ywl s LYS 5 N -3.57 0.15 3.00 -1.58 2.36 -1.26 -5.08 119.74 113.76 1ywl s LYS 5 Ca 0.47 0.09 0.00 0.00 -2.55 0.00 0.00 55.97 53.98 1ywl s LYS 5 Cb 0.40 0.07 0.00 0.00 -1.05 0.00 0.00 37.83 37.25 1ywl s LYS 5 CO -0.05 -0.03 0.00 -1.13 1.55 0.00 0.00 175.35 175.69 1ywl n SER 6 N 1.09 -1.70 -4.01 1.43 3.41 -1.26 -4.75 113.62 107.82 1ywl n SER 6 Ca -0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.30 1ywl n SER 6 Cb 0.58 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 1ywl n SER 6 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ywl s HIS 7 N 0.00 1.51 -0.12 7.33 3.76 -0.48 -4.51 115.29 122.77 1ywl s HIS 7 Ca 0.00 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.35 1ywl s HIS 7 Cb 0.00 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.58 1ywl s HIS 7 CO 0.00 -0.32 -0.23 0.71 -0.85 0.00 0.00 174.74 174.05 1ywl s TYR 8 N 0.80 2.63 -0.21 1.40 1.51 -0.89 -0.98 117.35 121.61 1ywl s TYR 8 Ca -0.12 -1.21 -0.23 0.00 -1.01 0.00 0.00 57.07 54.50 1ywl s TYR 8 Cb -0.15 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1ywl s TYR 8 CO 0.02 -0.53 0.74 0.12 -1.11 0.00 0.00 175.55 174.79 1ywl s PHE 9 N 0.61 3.36 0.11 2.71 5.36 -0.26 -1.02 117.98 128.84 1ywl s PHE 9 Ca -0.12 1.06 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 1ywl s PHE 9 Cb -0.17 -2.93 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 1ywl s PHE 9 CO 0.03 -0.28 -0.22 1.52 -1.46 0.00 0.00 175.22 174.81 1ywl s TYR 10 N 2.32 1.88 -0.63 10.12 -0.85 -0.56 -1.56 117.35 128.08 1ywl s TYR 10 Ca 0.33 -0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.42 1ywl s TYR 10 Cb -0.16 -1.03 0.16 0.00 0.38 0.00 0.00 41.96 41.31 1ywl s TYR 10 CO 0.10 0.23 0.46 0.08 -1.52 0.00 0.00 175.55 174.90 1ywl s VAL 11 N -1.13 3.93 -0.14 -3.49 1.01 -1.17 -1.57 120.40 117.84 1ywl s VAL 11 Ca 0.08 -2.81 -0.29 0.00 0.00 0.00 0.00 61.98 58.95 1ywl s VAL 11 Cb -0.10 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1ywl s VAL 11 CO 0.04 -0.88 1.18 -0.76 0.00 0.00 0.00 175.10 174.68 1ywl s LEU 12 N 0.08 4.20 -0.08 3.92 1.43 -0.43 -3.63 118.68 124.17 1ywl s LEU 12 Ca 0.16 1.66 -0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1ywl s LEU 12 Cb -0.19 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1ywl s LEU 12 CO -0.04 -0.66 -0.06 -0.22 0.23 0.00 0.00 176.35 175.60 1ywl s LEU 13 N 2.89 3.21 0.00 1.79 0.20 0.97 -0.96 118.68 126.79 1ywl s LEU 13 Ca 0.52 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 55.34 1ywl s LEU 13 Cb -0.21 -1.71 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1ywl s LEU 13 CO 0.16 0.33 0.21 0.00 -0.29 0.00 0.00 176.35 176.75 1ywl h GLN 15 N 0.00 0.16 0.00 0.00 1.08 -1.93 0.44 115.11 114.86 1ywl h GLN 15 Ca -0.35 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1ywl h GLN 15 Cb 1.18 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1ywl h GLN 15 CO 0.57 0.21 0.00 0.22 -0.95 0.00 0.00 178.83 178.88 1ywl h ASP 16 N 0.16 0.00 -0.97 1.46 1.82 -1.97 -3.45 116.42 113.48 1ywl h ASP 16 Ca 0.04 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 1ywl h ASP 16 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1ywl h ASP 16 CO 0.01 0.00 -0.13 0.61 -1.61 0.00 0.00 179.24 178.12 1ywl n GLY 17 N -1.03 0.27 3.90 -0.78 0.00 0.15 -5.04 105.19 102.66 1ywl n GLY 17 Ca -0.01 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1ywl n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ywl s SER 18 N -2.84 6.35 -0.45 1.61 0.01 -1.26 -4.93 113.70 112.19 1ywl s SER 18 Ca 0.03 0.33 -0.16 0.00 1.31 0.00 0.00 55.95 57.46 1ywl s SER 18 Cb -0.01 -1.99 0.05 0.00 0.21 0.00 0.00 66.02 64.28 1ywl s SER 18 CO 0.03 0.25 0.39 -0.36 0.41 0.00 0.00 173.24 173.96 1ywl s PHE 19 N -1.34 3.22 -0.52 2.43 0.08 -1.26 -3.47 117.98 117.11 1ywl s PHE 19 Ca 0.28 -0.71 -0.19 0.00 0.12 0.00 0.00 56.93 56.43 1ywl s PHE 19 Cb -0.13 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 39.42 1ywl s PHE 19 CO 0.20 -0.73 0.60 -0.47 -0.10 0.00 0.00 175.22 174.72 1ywl s TYR 20 N 1.80 3.07 -0.48 0.36 5.04 -0.13 -4.94 117.35 122.06 1ywl s TYR 20 Ca 0.06 -0.68 -0.25 0.00 -2.44 0.00 0.00 57.07 53.76 1ywl s TYR 20 Cb -0.21 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.56 1ywl s TYR 20 CO 0.09 -1.04 0.94 0.20 -1.34 0.00 0.00 175.55 174.39 1ywl s GLY 21 N 2.85 1.45 0.32 8.97 0.00 -1.26 -1.31 107.32 118.34 1ywl s GLY 21 Ca 0.13 -0.89 0.10 0.00 0.00 0.00 0.00 44.72 44.07 1ywl s GLY 21 CO 0.10 2.05 -0.14 -0.32 0.00 0.00 0.00 173.10 174.80 1ywl s GLY 22 N 2.40 2.06 -0.30 0.20 0.00 -0.61 -5.00 107.32 106.07 1ywl s GLY 22 Ca 0.36 -2.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1ywl s GLY 22 CO 0.25 -2.00 0.11 -2.52 0.00 0.00 0.00 173.10 168.94 1ywl s TYR 23 N -2.58 1.12 0.23 1.90 1.13 -1.26 -1.50 117.35 116.40 1ywl s TYR 23 Ca 0.31 -1.39 -0.20 0.00 -1.41 0.00 0.00 57.07 54.38 1ywl s TYR 23 Cb -0.01 -1.37 0.07 0.00 -1.10 0.00 0.00 41.96 39.56 1ywl s TYR 23 CO 0.16 -0.86 0.99 -0.08 -2.51 0.00 0.00 175.55 173.25 1ywl s THR 24 N 1.80 0.00 -0.04 -3.49 -1.32 -0.19 -4.79 115.64 107.61 1ywl s THR 24 Ca 0.10 -0.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.91 1ywl s THR 24 Cb -0.17 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.85 1ywl s THR 24 CO -0.30 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.50 1ywl s THR 25 N -2.07 0.45 -0.08 5.08 -4.23 -1.26 -2.09 115.64 111.44 1ywl s THR 25 Ca 0.22 -0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1ywl s THR 25 Cb -0.03 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1ywl s THR 25 CO 0.07 0.21 0.08 1.21 -0.54 0.00 0.00 174.62 175.65 1ywl n GLU 26 N 4.10 -0.17 0.25 3.99 4.07 0.38 -4.68 120.64 128.58 1ywl n GLU 26 Ca -0.25 0.62 0.15 0.00 -0.06 0.00 0.00 57.16 57.62 1ywl n GLU 26 Cb 0.51 -1.98 0.43 0.00 -0.06 0.00 0.00 31.44 30.34 1ywl n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1ywl h PRO 27 N 0.08 0.00 -0.01 5.31 0.13 -1.91 -3.03 132.00 132.57 1ywl h PRO 27 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1ywl h PRO 27 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 1ywl h PRO 27 CO 0.03 0.00 -0.38 0.93 -0.23 0.00 0.00 178.00 178.35 1ywl h GLU 28 N 0.00 -0.51 0.00 0.86 5.08 -1.98 1.52 114.58 119.55 1ywl h GLU 28 Ca 0.00 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ywl h GLU 28 Cb 0.74 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1ywl h GLU 28 CO 0.00 -0.34 -0.41 0.07 -1.00 0.00 0.00 179.01 177.33 1ywl h ARG 29 N -0.53 0.00 -0.35 2.33 0.11 -1.96 -2.79 114.38 111.19 1ywl h ARG 29 Ca 0.06 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.97 1ywl h ARG 29 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1ywl h ARG 29 CO -0.31 0.41 -0.43 -0.09 0.10 0.00 0.00 179.97 179.65 1ywl h ARG 30 N 0.00 0.91 0.48 0.08 2.43 -1.13 -1.47 114.38 115.67 1ywl h ARG 30 Ca -0.00 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ywl h ARG 30 Cb 1.12 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ywl h ARG 30 CO 0.05 1.15 -0.23 1.25 -1.51 0.00 0.00 179.97 180.68 1ywl h LEU 31 N 0.73 -0.54 -1.66 3.80 5.85 0.22 -3.06 115.31 120.64 1ywl h LEU 31 Ca 0.05 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.09 1ywl h LEU 31 Cb 1.03 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1ywl h LEU 31 CO 0.10 -0.25 0.75 0.00 -0.34 0.00 0.00 178.44 178.69 1ywl h THR 32 N -0.91 0.47 -0.32 1.05 1.03 -1.58 0.16 112.91 112.80 1ywl h THR 32 Ca -0.07 -0.07 0.03 0.00 -0.01 0.00 0.00 66.41 66.30 1ywl h THR 32 Cb 0.49 0.25 -0.05 0.00 -1.07 0.00 0.00 68.15 67.77 1ywl h THR 32 CO 0.11 0.04 -0.31 -0.08 -0.01 0.00 0.00 175.52 175.26 1ywl h GLU 33 N 0.20 -0.15 0.01 0.00 4.81 -1.15 1.37 114.58 119.67 1ywl h GLU 33 Ca 0.58 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.77 1ywl h GLU 33 Cb 1.86 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1ywl h GLU 33 CO -0.16 -0.10 -0.19 1.12 -0.73 0.00 0.00 179.01 178.95 1ywl h HIS 34 N -0.15 0.17 -0.64 0.92 2.07 -1.38 -3.02 115.15 113.11 1ywl h HIS 34 Ca 0.05 -0.10 0.07 0.00 -2.85 0.00 0.00 60.37 57.55 1ywl h HIS 34 Cb 0.29 -0.02 -0.10 0.00 2.57 0.00 0.00 27.41 30.16 1ywl h HIS 34 CO -0.77 0.95 -0.54 -0.91 -3.07 0.00 0.00 177.93 173.60 1ywl h ASN 35 N -0.67 -1.87 -0.53 3.10 2.35 -0.53 1.21 115.58 118.64 1ywl h ASN 35 Ca -0.03 0.27 0.10 0.00 -0.55 0.00 0.00 56.30 56.10 1ywl h ASN 35 Cb 1.02 0.81 -0.09 0.00 0.05 0.00 0.00 38.32 40.11 1ywl h ASN 35 CO 0.04 -0.33 -0.01 -1.28 -1.65 0.00 0.00 177.43 174.20 1ywl h SER 36 N -0.23 -0.24 0.00 5.81 0.87 0.17 -3.27 113.55 116.67 1ywl h SER 36 Ca 0.13 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ywl h SER 36 Cb 0.53 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ywl h SER 36 CO -0.73 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.09 1ywl n GLY 37 N -1.33 0.43 3.32 5.77 0.00 0.86 -4.83 105.19 109.41 1ywl n GLY 37 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 3.94 0.00 2.61 -1.32 0.38 -5.06 115.64 116.16 1ywl s THR 38 Ca 0.00 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1ywl s THR 38 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 1ywl s THR 38 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1ywl n GLY 39 N 4.85 1.11 3.35 6.08 0.00 -1.23 -3.94 105.19 115.41 1ywl n GLY 39 Ca -0.13 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.28 3.36 1.04 4.61 0.00 -1.26 -5.00 121.76 121.22 1ywl s ALA 40 Ca 0.00 -1.96 -0.22 0.00 0.00 0.00 0.00 51.96 49.78 1ywl s ALA 40 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 1ywl s ALA 40 CO 0.00 -1.56 -0.77 1.17 0.00 0.00 0.00 175.76 174.59 1ywl n LYS 41 N 5.03 -0.58 0.00 0.00 4.81 -1.26 -1.19 118.16 124.97 1ywl n LYS 41 Ca -0.11 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 1ywl n LYS 41 Cb 0.44 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1ywl n LYS 41 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ywl n TYR 42 N -3.71 0.00 -3.52 5.64 4.19 -1.26 -4.33 117.16 114.17 1ywl n TYR 42 Ca -0.00 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 60.91 1ywl n TYR 42 Cb 0.67 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 40.38 1ywl n TYR 42 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1ywl s THR 43 N 0.00 0.38 -0.61 2.97 -4.23 -1.00 -4.92 115.64 108.23 1ywl s THR 43 Ca 0.00 -1.82 0.20 0.00 -1.18 0.00 0.00 61.69 58.89 1ywl s THR 43 Cb 0.00 -1.29 -0.26 0.00 1.34 0.00 0.00 72.50 72.30 1ywl s THR 43 CO 0.00 -0.96 0.71 -2.11 -0.54 0.00 0.00 174.62 171.73 1ywl n ARG 44 N 4.01 0.43 0.00 3.99 1.85 -0.33 -4.09 116.66 122.53 1ywl n ARG 44 Ca 0.10 -0.07 0.11 0.00 -1.00 0.00 0.00 57.85 56.99 1ywl n ARG 44 Cb 0.37 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 30.27 1ywl n ARG 44 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1ywl n LEU 45 N -1.76 1.75 -4.77 2.89 -0.00 -1.26 -4.74 117.00 109.12 1ywl n LEU 45 Ca 0.01 -0.69 -0.30 0.00 -0.00 0.00 0.00 56.01 55.03 1ywl n LEU 45 Cb 0.40 -0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.93 1ywl n LEU 45 CO 0.42 0.34 0.69 0.00 -0.00 0.00 0.00 177.39 178.85 1ywl s ALA 46 N -2.62 1.95 0.28 1.47 0.00 -1.26 -4.90 121.76 116.68 1ywl s ALA 46 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1ywl s ALA 46 Cb 0.18 -3.14 0.69 0.00 0.00 0.00 0.00 23.12 20.84 1ywl s ALA 46 CO 0.66 -2.00 1.65 0.87 0.00 0.00 0.00 175.76 176.94 1ywl h LYS 47 N -1.29 0.22 -1.94 0.00 6.56 -1.92 -3.47 116.57 114.73 1ywl h LYS 47 Ca -0.48 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1ywl h LYS 47 Cb 1.28 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1ywl h LYS 47 CO 0.57 0.15 -0.50 -2.13 -2.06 0.00 0.00 179.45 175.48 1ywl n ARG 48 N -5.20 -2.22 -1.57 3.15 0.63 -1.26 -4.84 116.66 105.35 1ywl n ARG 48 Ca 0.21 1.70 -0.46 0.00 -0.92 0.00 0.00 57.85 58.37 1ywl n ARG 48 Cb 0.66 -2.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.48 1ywl n ARG 48 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ywl n ARG 49 N -1.75 1.20 -1.54 -0.14 1.74 -1.26 -4.94 116.66 109.96 1ywl n ARG 49 Ca 0.00 0.42 -0.29 0.00 -0.77 0.00 0.00 57.85 57.21 1ywl n ARG 49 Cb 0.18 -1.81 0.12 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.10 1.37 -0.37 5.56 0.04 -1.26 -4.96 135.00 134.27 1ywl s PRO 50 Ca 0.64 0.37 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1ywl s PRO 50 Cb -0.77 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.07 1ywl s PRO 50 CO 0.57 -2.06 0.27 0.14 0.04 0.00 0.00 177.00 175.96 1ywl s VAL 51 N -3.25 0.17 0.03 -0.36 -7.23 -1.24 -4.03 120.40 104.49 1ywl s VAL 51 Ca 0.63 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1ywl s VAL 51 Cb -0.15 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1ywl s VAL 51 CO 0.53 -1.06 0.10 0.27 -0.31 0.00 0.00 175.10 174.64 1ywl s ILE 52 N 0.72 4.76 -0.09 -0.62 -4.36 -1.04 -4.81 121.20 115.74 1ywl s ILE 52 Ca 0.24 -0.53 0.04 0.00 -0.26 0.00 0.00 60.65 60.14 1ywl s ILE 52 Cb -0.13 -3.24 -0.00 0.00 1.25 0.00 0.00 42.46 40.35 1ywl s ILE 52 CO -0.07 0.24 -0.24 0.00 0.24 0.00 0.00 174.94 175.12 1ywl s MET 53 N -2.07 2.92 0.00 0.37 0.23 -1.25 -0.02 119.30 119.47 1ywl s MET 53 Ca 0.27 -0.86 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 1ywl s MET 53 Cb -0.12 -2.24 -0.00 0.00 -1.53 0.00 0.00 34.83 30.94 1ywl s MET 53 CO 0.19 0.20 0.06 0.44 -2.03 0.00 0.00 175.02 173.88 1ywl n ILE 54 N 3.45 0.00 -3.85 3.16 -0.00 -1.24 -4.90 119.36 115.99 1ywl n ILE 54 Ca -0.19 -0.50 -0.34 0.00 -0.00 0.00 0.00 62.75 61.72 1ywl n ILE 54 Cb 0.53 1.00 -0.12 0.00 -0.00 0.00 0.00 39.64 41.04 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 -0.91 3.57 -0.25 4.28 2.46 -1.26 -4.86 115.29 118.31 1ywl s HIS 55 Ca 0.00 -2.70 -0.10 0.00 0.47 0.00 0.00 55.06 52.73 1ywl s HIS 55 Cb 0.00 -3.11 -0.05 0.00 -0.13 0.00 0.00 32.58 29.30 1ywl s HIS 55 CO 0.01 -0.92 0.16 0.95 -2.47 0.00 0.00 174.74 172.47 1ywl s THR 56 N 0.74 5.26 0.02 0.89 -4.23 -1.26 -3.06 115.64 114.00 1ywl s THR 56 Ca 0.11 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1ywl s THR 56 Cb -0.22 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1ywl s THR 56 CO -0.05 0.31 -0.02 -1.61 -0.54 0.00 0.00 174.62 172.72 1ywl s GLU 57 N 1.32 0.28 0.13 3.99 0.41 -0.60 -5.00 118.70 119.24 1ywl s GLU 57 Ca 0.07 -0.53 0.06 0.00 -0.41 0.00 0.00 54.97 54.17 1ywl s GLU 57 Cb -0.14 0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.27 1ywl s GLU 57 CO 0.07 -0.05 -0.14 -1.59 -0.49 0.00 0.00 175.26 173.06 1ywl s LYS 58 N -1.28 1.08 -0.28 1.61 0.00 -1.26 -1.10 119.74 118.49 1ywl s LYS 58 Ca -0.14 -1.29 -0.20 0.00 0.00 0.00 0.00 55.97 54.34 1ywl s LYS 58 Cb -0.09 -0.95 0.11 0.00 0.00 0.00 0.00 37.83 36.90 1ywl s LYS 58 CO -0.01 0.18 0.89 -0.06 0.00 0.00 0.00 175.35 176.35 1ywl s PHE 59 N -2.25 -0.69 -0.07 1.78 0.08 -0.15 -4.92 117.98 111.76 1ywl s PHE 59 Ca 0.11 1.49 0.14 0.00 0.12 0.00 0.00 56.93 58.79 1ywl s PHE 59 Cb -0.04 0.41 -0.21 0.00 -0.57 0.00 0.00 43.02 42.61 1ywl s PHE 59 CO 0.04 -0.34 0.32 -0.85 -0.10 0.00 0.00 175.22 174.29 1ywl n GLU 60 N 3.28 0.59 -4.29 0.44 0.28 -1.26 -1.39 120.64 118.29 1ywl n GLU 60 Ca -0.17 -0.12 -0.32 0.00 -0.16 0.00 0.00 57.16 56.40 1ywl n GLU 60 Cb 0.57 -1.31 -0.09 0.00 1.43 0.00 0.00 31.44 32.04 1ywl n GLU 60 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1ywl s THR 61 N -2.90 4.05 0.06 3.84 -4.23 -1.26 -4.91 115.64 110.29 1ywl s THR 61 Ca -0.04 -0.68 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 1ywl s THR 61 Cb 0.09 -2.82 -0.15 0.00 1.34 0.00 0.00 72.50 70.97 1ywl s THR 61 CO 0.57 0.35 1.30 -0.09 -0.54 0.00 0.00 174.62 176.21 1ywl h ARG 62 N 4.26 0.58 -0.97 3.99 1.12 -1.97 0.56 114.38 121.94 1ywl h ARG 62 Ca -0.49 -0.40 0.21 0.00 -1.11 0.00 0.00 59.98 58.19 1ywl h ARG 62 Cb 1.17 0.06 -0.09 0.00 -0.01 0.00 0.00 29.97 31.11 1ywl h ARG 62 CO 0.57 1.02 0.62 0.77 -3.11 0.00 0.00 179.97 179.83 1ywl h SER 63 N 0.23 0.58 0.06 -3.80 0.02 -1.98 1.07 113.55 109.72 1ywl h SER 63 Ca -0.01 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1ywl h SER 63 Cb 1.03 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ywl h SER 63 CO 0.09 0.20 -0.69 -0.33 -1.14 0.00 0.00 176.83 174.97 1ywl h GLU 64 N 0.56 0.13 -0.74 3.45 5.08 -1.96 -1.76 114.58 119.35 1ywl h GLU 64 Ca 0.53 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 1ywl h GLU 64 Cb 1.10 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1ywl h GLU 64 CO -0.28 1.11 0.38 0.00 -1.00 0.00 0.00 179.01 179.22 1ywl h ALA 65 N -0.06 1.02 -0.21 3.43 0.00 0.13 0.77 119.26 124.35 1ywl h ALA 65 Ca -0.15 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1ywl h ALA 65 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ywl h ALA 65 CO 0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 1ywl h THR 66 N 0.64 1.32 0.46 0.00 1.03 0.10 -2.51 112.91 113.95 1ywl h THR 66 Ca 0.36 -1.65 -0.02 0.00 -0.01 0.00 0.00 66.41 65.09 1ywl h THR 66 Cb 0.37 1.85 -0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1ywl h THR 66 CO -0.27 0.51 -0.27 0.50 -0.01 0.00 0.00 175.52 175.99 1ywl h LYS 67 N 0.34 -0.66 -0.91 0.00 3.64 -0.34 -0.01 116.57 118.63 1ywl h LYS 67 Ca 0.01 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.63 1ywl h LYS 67 Cb 1.03 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1ywl h LYS 67 CO 0.09 -0.44 0.46 0.00 -2.27 0.00 0.00 179.45 177.30 1ywl h ALA 68 N -0.18 1.46 0.43 5.00 0.00 0.46 -0.13 119.26 126.30 1ywl h ALA 68 Ca -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ywl h ALA 68 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ywl h ALA 68 CO 0.06 -0.21 -0.22 1.49 0.00 0.00 0.00 179.25 180.38 1ywl h GLU 69 N 0.55 -0.58 -0.53 0.00 4.22 -0.91 0.11 114.58 117.43 1ywl h GLU 69 Ca 0.54 0.04 0.11 0.00 0.08 0.00 0.00 59.36 60.13 1ywl h GLU 69 Cb 0.93 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 1ywl h GLU 69 CO -0.45 -0.39 -0.21 0.00 -2.18 0.00 0.00 179.01 175.79 1ywl h ALA 70 N -0.03 0.20 0.10 2.92 0.00 0.70 0.42 119.26 123.56 1ywl h ALA 70 Ca -0.06 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ywl h ALA 70 Cb 0.47 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1ywl h ALA 70 CO 0.09 -0.53 -0.22 0.00 0.00 0.00 0.00 179.25 178.59 1ywl h ALA 71 N 1.31 -0.36 0.00 0.00 0.00 -0.89 0.14 119.26 119.47 1ywl h ALA 71 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ywl h ALA 71 Cb 0.47 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ywl h ALA 71 CO -0.59 -0.74 0.07 0.35 0.00 0.00 0.00 179.25 178.34 1ywl h PHE 72 N -0.40 0.00 0.00 0.00 3.04 0.10 0.73 116.94 120.41 1ywl h PHE 72 Ca 0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ywl h PHE 72 Cb 0.43 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1ywl h PHE 72 CO -0.21 0.00 -0.59 -0.22 -2.02 0.00 0.00 178.31 175.26 1ywl h LYS 73 N 0.00 0.00 0.05 1.11 3.64 0.25 -3.32 116.57 118.31 1ywl h LYS 73 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1ywl h LYS 73 Cb 0.13 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1ywl h LYS 73 CO 0.00 0.00 -2.08 1.63 -2.27 0.00 0.00 179.45 176.73 1ywl n LYS 74 N -2.82 0.70 -0.63 1.90 5.02 0.23 -4.95 118.16 117.60 1ywl n LYS 74 Ca 0.02 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 1ywl n LYS 74 Cb 0.54 -1.67 0.22 0.00 -0.02 0.00 0.00 35.03 34.10 1ywl n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ywl s LEU 75 N -6.48 1.48 0.00 -0.35 1.43 0.46 -5.05 118.68 110.16 1ywl s LEU 75 Ca -0.19 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.62 1ywl s LEU 75 Cb 0.07 -3.77 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1ywl s LEU 75 CO 0.76 -3.81 0.03 1.07 0.23 0.00 0.00 176.35 174.63 1ywl n THR 76 N -4.67 0.00 0.29 5.49 5.66 -1.26 -4.91 114.28 114.88 1ywl n THR 76 Ca 0.06 -0.35 0.14 0.00 -3.05 0.00 0.00 64.05 60.85 1ywl n THR 76 Cb 0.54 0.16 0.72 0.00 -1.55 0.00 0.00 70.33 70.20 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 -1.98 0.12 114.38 113.72 1ywl h ARG 77 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ywl h ARG 77 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1ywl h ARG 77 CO 0.06 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.76 1ywl n LYS 78 N -2.67 0.00 -0.31 0.08 4.76 -1.26 -2.69 118.16 116.07 1ywl n LYS 78 Ca -0.02 0.18 -0.01 0.00 -2.87 0.00 0.00 58.31 55.60 1ywl n LYS 78 Cb 0.33 -0.62 0.05 0.00 -1.84 0.00 0.00 35.03 32.95 1ywl n LYS 78 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1ywl h GLN 79 N 0.00 -0.05 -0.31 1.97 7.50 -1.88 0.60 115.11 122.93 1ywl h GLN 79 Ca 0.00 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.21 1ywl h GLN 79 Cb 0.00 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.48 1ywl h GLN 79 CO 0.00 -0.03 -0.05 0.87 -1.50 0.00 0.00 178.83 178.12 1ywl h LYS 80 N -0.05 0.03 -0.00 1.46 1.57 -0.98 0.41 116.57 119.01 1ywl h LYS 80 Ca 0.33 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1ywl h LYS 80 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ywl h LYS 80 CO -0.88 0.02 0.02 1.49 -0.57 0.00 0.00 179.45 179.53 1ywl h GLU 81 N 0.03 0.00 -0.15 3.15 4.81 0.22 -0.91 114.58 121.72 1ywl h GLU 81 Ca 0.15 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1ywl h GLU 81 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ywl h GLU 81 CO -0.30 0.00 -0.38 0.37 -0.73 0.00 0.00 179.01 177.96 1ywl h GLN 82 N 0.00 0.53 -0.41 1.92 5.75 0.33 -2.83 115.11 120.41 1ywl h GLN 82 Ca 0.00 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.08 1ywl h GLN 82 Cb 0.05 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1ywl h GLN 82 CO -0.00 0.98 0.02 -0.92 -2.65 0.00 0.00 178.83 176.26 1ywl h TYR 83 N 0.16 0.67 0.30 3.99 5.03 -0.62 0.22 116.97 126.72 1ywl h TYR 83 Ca -0.00 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1ywl h TYR 83 Cb 0.99 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1ywl h TYR 83 CO 0.10 0.62 -0.14 -0.07 -1.32 0.00 0.00 178.16 177.35 1ywl h LEU 84 N 0.61 -0.34 0.32 2.82 -0.00 -1.44 0.79 115.31 118.08 1ywl h LEU 84 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1ywl h LEU 84 Cb 0.35 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1ywl h LEU 84 CO 0.01 -0.23 -0.15 0.50 -0.00 0.00 0.00 178.44 178.56 1ywl h LYS 85 N -0.41 -0.42 -1.61 1.13 3.64 -1.28 1.00 116.57 118.61 1ywl h LYS 85 Ca -0.04 0.03 0.51 0.00 -1.27 0.00 0.00 60.65 59.88 1ywl h LYS 85 Cb 0.32 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.12 1ywl h LYS 85 CO 0.07 -0.28 1.10 -2.37 -2.27 0.00 0.00 179.45 175.70 1ywl n THR 86 N -3.53 -0.15 -0.08 1.00 5.66 0.77 0.62 114.28 118.57 1ywl n THR 86 Ca -0.05 1.66 -0.18 0.00 -3.05 0.00 0.00 64.05 62.43 1ywl n THR 86 Cb 0.17 -2.74 -0.13 0.00 -1.55 0.00 0.00 70.33 66.09 1ywl n THR 86 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1ywl h PHE 87 N 0.00 0.04 -1.30 1.09 3.04 -0.65 -3.23 116.94 115.93 1ywl h PHE 87 Ca 0.90 -0.03 0.38 0.00 3.98 0.00 0.00 57.97 63.20 1ywl h PHE 87 Cb 3.20 -0.00 -0.08 0.00 2.56 0.00 0.00 35.95 41.63 1ywl h PHE 87 CO -0.00 1.23 0.90 0.45 -2.02 0.00 0.00 178.31 178.87 1ywl h HIS 88 N -0.95 0.25 0.50 0.41 3.86 0.67 0.96 115.15 120.85 1ywl h HIS 88 Ca -0.16 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1ywl h HIS 88 Cb 1.18 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1ywl h HIS 88 CO 0.20 -0.02 -0.24 -0.07 0.86 0.00 0.00 177.93 178.65 1ywl h LEU 89 N 0.11 -0.57 -8.36 2.43 3.38 -1.10 -3.41 115.31 107.80 1ywl h LEU 89 Ca 0.68 0.02 -0.73 0.00 0.09 0.00 0.00 57.88 57.93 1ywl h LEU 89 Cb 2.38 0.15 -0.22 0.00 0.09 0.00 0.00 40.66 43.05 1ywl h LEU 89 CO -0.15 -0.18 -0.38 -1.83 0.09 0.00 0.00 178.44 175.99 1ywl s GLU 90 N -3.75 2.95 -0.48 1.13 -1.05 0.33 -4.99 118.70 112.84 1ywl s GLU 90 Ca -0.10 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 53.51 1ywl s GLU 90 Cb 0.01 -4.05 0.15 0.00 -0.44 0.00 0.00 34.13 29.80 1ywl s GLU 90 CO 0.29 -0.92 0.32 -1.58 0.95 0.00 0.00 175.26 174.32 1ywl s HIS 91 N 1.64 1.95 -0.38 4.83 2.46 -1.22 -4.65 115.29 119.92 1ywl s HIS 91 Ca 0.04 -2.52 -0.04 0.00 0.47 0.00 0.00 55.06 53.02 1ywl s HIS 91 Cb -0.22 -1.70 0.21 0.00 -0.13 0.00 0.00 32.58 30.74 1ywl s HIS 91 CO 0.07 -0.75 1.01 -1.58 -2.47 0.00 0.00 174.74 171.03 1ywl s HIS 92 N -0.04 -0.61 -0.68 3.88 5.04 -1.26 -5.07 115.29 116.54 1ywl s HIS 92 Ca 0.23 -0.21 0.05 0.00 -1.54 0.00 0.00 55.06 53.60 1ywl s HIS 92 Cb -0.12 0.12 0.24 0.00 0.04 0.00 0.00 32.58 32.86 1ywl s HIS 92 CO -0.09 -0.48 0.74 1.58 -2.34 0.00 0.00 174.74 174.14 1ywl n HIS 93 N 2.69 3.54 -1.49 3.88 -0.00 -1.26 -4.95 115.22 117.62 1ywl n HIS 93 Ca 0.13 -4.11 -0.40 0.00 0.46 0.00 0.00 57.72 53.80 1ywl n HIS 93 Cb 0.63 -0.63 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1ywl n HIS 93 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1ywl n HIS 94 N 1.14 2.58 -3.22 1.57 1.44 -1.26 -4.55 115.22 112.91 1ywl n HIS 94 Ca 0.27 -3.04 -0.24 0.00 -2.01 0.00 0.00 57.72 52.71 1ywl n HIS 94 Cb 0.39 -2.39 -0.07 0.00 0.12 0.00 0.00 29.99 28.04 1ywl n HIS 94 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ywl n HIS 95 N 3.57 -0.68 0.00 -1.40 -0.00 -1.26 -5.36 115.22 110.08 1ywl n HIS 95 Ca 0.72 -3.40 0.00 0.00 -0.00 0.00 0.00 57.72 55.05 1ywl n HIS 95 Cb 0.25 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1ywl n HIS 95 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95