#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jww s THR 2 N 0.00 0.00 -0.03 1.55 -4.23 -1.26 -4.57 115.64 107.10 1jww s THR 2 Ca 0.00 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1jww s THR 2 Cb 0.00 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1jww s THR 2 CO 0.00 0.00 0.12 -0.70 -0.54 0.00 0.00 174.62 173.50 1jww s GLU 3 N -3.91 0.24 0.25 3.99 2.12 0.11 -4.94 118.70 116.54 1jww s GLU 3 Ca 0.27 -0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.39 1jww s GLU 3 Cb 0.01 0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 1jww s GLU 3 CO 0.11 -0.04 0.74 0.15 -0.54 0.00 0.00 175.26 175.68 1jww s LYS 4 N -0.38 4.23 -0.10 4.30 -0.14 -1.26 -0.92 119.74 125.47 1jww s LYS 4 Ca -0.05 0.87 -0.08 0.00 -1.36 0.00 0.00 55.97 55.35 1jww s LYS 4 Cb -0.03 -2.80 0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1jww s LYS 4 CO 0.00 0.35 0.26 0.00 -0.76 0.00 0.00 175.35 175.20 1jww s ALA 5 N -1.60 -0.63 0.11 5.17 0.00 -0.12 -4.63 121.76 120.06 1jww s ALA 5 Ca 0.45 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.29 1jww s ALA 5 Cb -0.16 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1jww s ALA 5 CO 0.20 -0.14 -0.24 -1.21 0.00 0.00 0.00 175.76 174.37 1jww s GLU 6 N 0.35 1.35 -0.03 0.00 2.02 -1.25 -0.59 118.70 120.54 1jww s GLU 6 Ca -0.02 -1.23 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 1jww s GLU 6 Cb -0.03 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.50 1jww s GLU 6 CO -0.01 0.41 0.10 -0.06 0.02 0.00 0.00 175.26 175.72 1jww s PHE 7 N -1.05 -0.09 -0.15 1.61 0.40 -0.05 -0.32 117.98 118.33 1jww s PHE 7 Ca 0.11 0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.53 1jww s PHE 7 Cb -0.10 0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 1jww s PHE 7 CO 0.05 -0.08 0.24 0.34 0.70 0.00 0.00 175.22 176.47 1jww s ASP 8 N -0.12 6.40 -0.24 1.36 -1.08 0.85 -0.82 116.67 123.02 1jww s ASP 8 Ca -0.02 0.47 -0.07 0.00 -0.52 0.00 0.00 52.55 52.41 1jww s ASP 8 Cb -0.02 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.27 1jww s ASP 8 CO 0.00 0.18 0.06 -0.63 0.52 0.00 0.00 175.17 175.30 1jww s ILE 9 N 0.12 4.31 -1.00 4.11 -1.09 -1.18 -2.42 121.20 124.05 1jww s ILE 9 Ca 0.15 -0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.30 1jww s ILE 9 Cb -0.13 -3.00 0.25 0.00 -1.58 0.00 0.00 42.46 38.00 1jww s ILE 9 CO 0.03 0.35 0.96 -0.70 -1.23 0.00 0.00 174.94 174.36 1jww s GLU 10 N 1.49 3.89 0.00 2.79 2.12 -1.10 -4.78 118.70 123.11 1jww s GLU 10 Ca 0.06 -3.00 0.00 0.00 0.36 0.00 0.00 54.97 52.39 1jww s GLU 10 Cb -0.15 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.81 1jww s GLU 10 CO 0.03 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1jww n GLY 11 N 3.03 1.24 3.60 -1.50 0.00 -1.26 -3.97 105.19 106.33 1jww n GLY 11 Ca 0.20 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1jww n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jww s MET 12 N -0.51 1.48 0.21 1.61 0.23 -1.26 -4.72 119.30 116.34 1jww s MET 12 Ca 0.00 -0.77 0.23 0.00 -1.03 0.00 0.00 55.69 54.12 1jww s MET 12 Cb 0.00 0.57 0.16 0.00 -1.53 0.00 0.00 34.83 34.03 1jww s MET 12 CO 0.00 -0.65 1.21 0.00 -2.03 0.00 0.00 175.02 173.55 1jww h THR 13 N 2.07 0.00 -4.73 3.16 1.03 -1.98 -3.49 112.91 108.97 1jww h THR 13 Ca -0.27 -0.83 -0.22 0.00 -0.01 0.00 0.00 66.41 65.08 1jww h THR 13 Cb 1.27 1.43 0.13 0.00 -1.07 0.00 0.00 68.15 69.92 1jww h THR 13 CO 0.33 0.00 -0.59 0.00 -0.01 0.00 0.00 175.52 175.25 1jww n ALA 15 N -3.05 0.00 -0.11 0.00 0.00 -1.26 -4.32 120.51 111.76 1jww n ALA 15 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1jww n ALA 15 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1jww n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jww h ALA 16 N 1.82 0.49 0.46 0.00 0.00 -1.98 -0.93 119.26 119.12 1jww h ALA 16 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1jww h ALA 16 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jww h ALA 16 CO 0.00 0.48 -0.22 0.00 0.00 0.00 0.00 179.25 179.50 1jww n ALA 18 N -2.43 -0.38 -0.08 0.00 0.00 -1.21 -0.39 120.51 116.03 1jww n ALA 18 Ca -0.11 0.86 0.06 0.00 0.00 0.00 0.00 53.44 54.25 1jww n ALA 18 Cb 0.28 -0.26 0.41 0.00 0.00 0.00 0.00 19.45 19.88 1jww n ALA 18 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jww h ASN 19 N 0.00 0.52 -0.30 0.00 2.35 -0.68 -0.77 115.58 116.70 1jww h ASN 19 Ca 0.23 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 1jww h ASN 19 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1jww h ASN 19 CO -0.91 0.36 -0.17 -0.09 -1.65 0.00 0.00 177.43 174.97 1jww h ARG 20 N 0.60 0.65 -0.49 0.81 2.43 0.21 -3.13 114.38 115.47 1jww h ARG 20 Ca 0.22 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1jww h ARG 20 Cb 0.13 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1jww h ARG 20 CO -0.06 0.88 0.21 0.82 -1.51 0.00 0.00 179.97 180.31 1jww h ILE 21 N 0.41 0.89 -0.69 1.20 2.04 0.56 -0.52 117.51 121.39 1jww h ILE 21 Ca 0.07 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1jww h ILE 21 Cb 0.70 0.44 -0.12 0.00 -0.74 0.00 0.00 36.82 37.10 1jww h ILE 21 CO 0.05 0.07 -0.38 -0.33 0.00 0.00 0.00 178.15 177.56 1jww h GLU 22 N 0.41 -0.13 -0.29 2.37 5.08 -1.25 0.22 114.58 120.99 1jww h GLU 22 Ca 0.23 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1jww h GLU 22 Cb 0.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jww h GLU 22 CO -0.20 -0.09 -0.26 0.87 -1.00 0.00 0.00 179.01 178.33 1jww h LYS 23 N -0.14 0.68 -0.91 2.33 1.57 -1.49 0.31 116.57 118.92 1jww h LYS 23 Ca 0.24 -0.35 0.16 0.00 -1.87 0.00 0.00 60.65 58.84 1jww h LYS 23 Cb 0.56 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.80 1jww h LYS 23 CO -0.76 0.96 0.58 0.00 -0.57 0.00 0.00 179.45 179.66 1jww h ARG 24 N 0.42 0.61 0.14 3.15 2.47 -0.06 -0.83 114.38 120.29 1jww h ARG 24 Ca 0.05 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.47 1jww h ARG 24 Cb 0.82 -0.14 0.03 0.00 -1.65 0.00 0.00 29.97 29.03 1jww h ARG 24 CO 0.07 0.40 -1.12 -0.07 0.56 0.00 0.00 179.97 179.81 1jww h LEU 25 N 0.63 0.74 -2.61 3.04 3.38 -0.25 -3.31 115.31 116.93 1jww h LEU 25 Ca 0.47 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1jww h LEU 25 Cb 0.85 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1jww h LEU 25 CO -0.22 1.54 -0.01 -1.13 0.09 0.00 0.00 178.44 178.70 1jww h ASN 26 N 0.06 0.00 -1.00 -0.43 -1.24 0.57 0.85 115.58 114.39 1jww h ASN 26 Ca -0.18 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.97 1jww h ASN 26 Cb 1.83 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.79 1jww h ASN 26 CO 0.21 0.01 0.62 0.11 -1.29 0.00 0.00 177.43 177.10 1jww h LYS 27 N 0.00 0.88 -6.59 6.67 1.79 -1.28 -3.43 116.57 114.61 1jww h LYS 27 Ca -0.00 -0.05 -0.52 0.00 -2.18 0.00 0.00 60.65 57.89 1jww h LYS 27 Cb 0.07 -0.20 0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1jww h LYS 27 CO 0.00 0.59 0.95 0.42 -1.08 0.00 0.00 179.45 180.33 1jww s ILE 28 N -5.90 2.49 0.12 1.86 1.01 0.29 -4.91 121.20 116.15 1jww s ILE 28 Ca -0.12 0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 1jww s ILE 28 Cb 0.23 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.45 1jww s ILE 28 CO 0.81 0.02 1.69 -0.33 0.00 0.00 0.00 174.94 177.13 1jww h GLU 29 N 7.14 -0.13 -1.72 2.79 5.08 -1.88 -3.03 114.58 122.83 1jww h GLU 29 Ca -0.43 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 57.66 1jww h GLU 29 Cb 1.20 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 1jww h GLU 29 CO 0.93 -0.08 0.28 0.41 -1.00 0.00 0.00 179.01 179.54 1jww n GLY 30 N -1.23 3.77 3.78 -3.84 0.00 -1.26 -4.86 105.19 101.54 1jww n GLY 30 Ca -0.04 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1jww n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jww s VAL 31 N -1.63 4.49 -0.03 1.61 0.11 -1.15 -0.27 120.40 123.54 1jww s VAL 31 Ca 0.32 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1jww s VAL 31 Cb 0.23 -3.21 -0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1jww s VAL 31 CO -0.04 0.03 -0.04 0.00 -3.33 0.00 0.00 175.10 171.72 1jww n ALA 32 N 0.15 2.78 -3.05 1.54 0.00 0.09 -4.91 120.51 117.11 1jww n ALA 32 Ca -0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1jww n ALA 32 Cb 0.53 0.44 -0.11 0.00 0.00 0.00 0.00 19.45 20.31 1jww n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jww s ASN 33 N -5.35 -0.01 -0.36 0.00 0.01 -0.66 -5.00 114.94 103.56 1jww s ASN 33 Ca -0.05 -0.05 0.13 0.00 -0.71 0.00 0.00 52.86 52.18 1jww s ASN 33 Cb 0.02 0.22 0.38 0.00 0.41 0.00 0.00 41.25 42.28 1jww s ASN 33 CO 0.06 -0.23 0.81 0.00 -1.51 0.00 0.00 177.10 176.22 1jww n ALA 34 N 2.09 2.54 -2.24 0.60 0.00 -1.26 -0.22 120.51 122.01 1jww n ALA 34 Ca -0.19 -3.38 -0.37 0.00 0.00 0.00 0.00 53.44 49.51 1jww n ALA 34 Cb 0.57 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1jww n ALA 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jww n PRO 35 N 0.16 2.44 -2.06 0.00 -0.04 -1.04 -4.55 135.00 129.90 1jww n PRO 35 Ca 0.21 -2.83 -0.39 0.00 -0.04 0.00 0.00 63.50 60.45 1jww n PRO 35 Cb 0.70 -3.55 -0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1jww n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jww s VAL 36 N 7.00 2.65 -0.69 0.52 1.01 -1.26 -4.15 120.40 125.48 1jww s VAL 36 Ca 0.60 0.55 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 1jww s VAL 36 Cb 0.03 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 33.20 1jww s VAL 36 CO 0.10 0.06 0.90 0.20 0.00 0.00 0.00 175.10 176.35 1jww s ASN 37 N -0.88 6.28 -0.44 3.32 0.01 0.42 -4.92 114.94 118.73 1jww s ASN 37 Ca 0.60 -1.39 -0.06 0.00 -0.71 0.00 0.00 52.86 51.29 1jww s ASN 37 Cb -0.36 -2.37 -0.17 0.00 0.41 0.00 0.00 41.25 38.75 1jww s ASN 37 CO 0.46 -1.23 2.93 2.22 -1.51 0.00 0.00 177.10 179.96 1jww n PHE 38 N 6.90 0.65 0.00 2.20 -1.74 -1.26 -2.89 117.46 121.32 1jww n PHE 38 Ca -0.00 -1.69 0.00 0.00 -0.56 0.00 0.00 57.45 55.20 1jww n PHE 38 Cb 0.45 -1.64 0.00 0.00 1.52 0.00 0.00 39.48 39.81 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1jww n ALA 39 N 2.99 0.00 1.51 1.98 0.00 -1.26 -4.54 120.51 121.20 1jww n ALA 39 Ca 0.45 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.02 1jww n ALA 39 Cb 0.57 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.56 1jww n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jww n LEU 40 N 0.00 1.27 -3.38 0.00 4.77 -1.14 -4.93 117.00 113.60 1jww n LEU 40 Ca 0.00 -0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 55.29 1jww n LEU 40 Cb 0.00 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1jww n LEU 40 CO 0.00 0.23 0.19 -0.62 -1.33 0.00 0.00 177.39 175.87 1jww n GLU 41 N 0.02 -7.15 -3.79 3.23 1.02 -1.19 -4.97 120.64 107.81 1jww n GLU 41 Ca 0.18 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1jww n GLU 41 Cb 0.30 -5.75 -0.14 0.00 -0.02 0.00 0.00 31.44 25.83 1jww n GLU 41 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jww s THR 42 N -3.28 -0.03 0.09 2.62 -4.23 -1.26 -3.11 115.64 106.45 1jww s THR 42 Ca 0.52 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1jww s THR 42 Cb -0.23 -0.17 -0.07 0.00 1.34 0.00 0.00 72.50 73.38 1jww s THR 42 CO 0.64 0.05 0.52 -0.69 -0.54 0.00 0.00 174.62 174.59 1jww s VAL 43 N 0.71 4.87 -0.14 2.29 1.01 0.00 -0.43 120.40 128.72 1jww s VAL 43 Ca -0.05 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 1jww s VAL 43 Cb -0.07 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1jww s VAL 43 CO -0.03 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.58 1jww s THR 44 N -1.29 0.57 0.20 3.92 2.01 -1.26 -0.88 115.64 118.92 1jww s THR 44 Ca 0.32 -0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.13 1jww s THR 44 Cb -0.16 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1jww s THR 44 CO 0.18 0.04 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.25 1jww s VAL 45 N 1.87 2.17 -0.26 3.82 1.01 0.24 -2.51 120.40 126.74 1jww s VAL 45 Ca 0.02 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.92 1jww s VAL 45 Cb -0.15 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1jww s VAL 45 CO -0.07 -0.27 -0.04 -0.70 0.00 0.00 0.00 175.10 174.02 1jww s GLU 46 N -2.95 1.64 0.18 2.72 -6.30 0.70 -0.94 118.70 113.74 1jww s GLU 46 Ca 0.21 -1.20 0.01 0.00 -2.50 0.00 0.00 54.97 51.49 1jww s GLU 46 Cb -0.06 -2.69 -0.04 0.00 0.00 0.00 0.00 34.13 31.33 1jww s GLU 46 CO 0.10 -0.68 0.04 1.52 0.02 0.00 0.00 175.26 176.26 1jww s TYR 47 N 1.28 1.16 -0.22 5.30 -0.85 -0.10 -0.73 117.35 123.18 1jww s TYR 47 Ca -0.03 -1.13 -0.10 0.00 -0.52 0.00 0.00 57.07 55.29 1jww s TYR 47 Cb -0.19 -0.65 -0.05 0.00 0.38 0.00 0.00 41.96 41.45 1jww s TYR 47 CO -0.08 -0.35 0.15 0.54 -1.52 0.00 0.00 175.55 174.29 1jww s ASN 48 N -3.16 6.15 -1.19 -0.18 2.20 0.63 0.06 114.94 119.45 1jww s ASN 48 Ca 0.27 0.16 -0.13 0.00 -0.94 0.00 0.00 52.86 52.22 1jww s ASN 48 Cb 0.07 -2.10 -0.06 0.00 -2.00 0.00 0.00 41.25 37.16 1jww s ASN 48 CO 0.05 0.11 2.30 -0.81 -2.94 0.00 0.00 177.10 175.81 1jww n PRO 49 N 4.01 2.53 0.00 3.55 -0.04 -1.26 -2.36 135.00 141.43 1jww n PRO 49 Ca -0.15 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1jww n PRO 49 Cb 0.52 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1jww n PRO 49 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jww n LYS 50 N 5.25 0.00 -0.09 0.54 3.00 -1.26 -4.94 118.16 120.66 1jww n LYS 50 Ca 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.74 1jww n LYS 50 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.24 1jww n LYS 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1jww n GLU 51 N -2.52 0.44 -2.95 1.64 1.02 -1.22 -5.01 120.64 112.05 1jww n GLU 51 Ca 0.00 0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 1jww n GLU 51 Cb 0.00 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jww s ALA 52 N -2.36 3.20 -0.01 0.62 0.00 -1.00 -4.58 121.76 117.64 1jww s ALA 52 Ca -0.24 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1jww s ALA 52 Cb 0.06 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1jww s ALA 52 CO 0.41 0.19 0.23 -1.54 0.00 0.00 0.00 175.76 175.05 1jww s SER 53 N -2.36 -0.10 0.19 0.00 1.04 -1.26 -4.38 113.70 106.83 1jww s SER 53 Ca 0.57 -0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 1jww s SER 53 Cb -0.10 0.28 0.16 0.00 0.10 0.00 0.00 66.02 66.46 1jww s SER 53 CO 0.18 -0.39 1.63 0.58 0.98 0.00 0.00 173.24 176.21 1jww h VAL 54 N 4.10 0.38 -0.83 5.02 2.07 -1.99 -0.78 116.25 124.22 1jww h VAL 54 Ca -0.30 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.37 1jww h VAL 54 Cb 1.19 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 1jww h VAL 54 CO 0.40 0.00 0.40 0.28 0.02 0.00 0.00 177.57 178.67 1jww h SER 55 N -0.07 0.45 0.27 0.57 0.02 -1.98 -0.14 113.55 112.67 1jww h SER 55 Ca 0.24 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1jww h SER 55 Cb 0.45 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jww h SER 55 CO -0.57 0.18 -0.13 -0.78 -1.14 0.00 0.00 176.83 174.39 1jww h ASP 56 N 0.56 -0.30 -0.42 3.07 1.82 -1.57 0.62 116.42 120.19 1jww h ASP 56 Ca 0.46 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1jww h ASP 56 Cb 0.67 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 1jww h ASP 56 CO -0.38 0.09 0.23 0.17 -1.61 0.00 0.00 179.24 177.73 1jww h LEU 57 N -0.74 0.53 -0.73 2.28 8.10 -1.30 0.20 115.31 123.64 1jww h LEU 57 Ca -0.04 -0.09 0.14 0.00 0.11 0.00 0.00 57.88 58.00 1jww h LEU 57 Cb 0.50 -0.13 -0.14 0.00 -0.44 0.00 0.00 40.66 40.45 1jww h LEU 57 CO 0.06 0.47 -0.27 0.50 -4.11 0.00 0.00 178.44 175.09 1jww h LYS 58 N 0.54 -0.06 -0.72 0.17 3.64 -1.01 -0.32 116.57 118.82 1jww h LYS 58 Ca 0.15 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1jww h LYS 58 Cb 0.06 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1jww h LYS 58 CO -0.02 -0.04 0.20 1.49 -2.27 0.00 0.00 179.45 178.81 1jww h GLU 59 N -0.06 1.13 -0.42 1.90 4.81 0.11 0.99 114.58 123.05 1jww h GLU 59 Ca 0.32 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1jww h GLU 59 Cb 0.56 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 1jww h GLU 59 CO -0.77 0.98 -0.04 0.00 -0.73 0.00 0.00 179.01 178.45 1jww h ALA 60 N 1.10 0.35 -0.26 2.92 0.00 0.62 0.14 119.26 124.14 1jww h ALA 60 Ca 0.23 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1jww h ALA 60 Cb 0.33 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jww h ALA 60 CO -0.00 -0.41 -0.21 0.28 0.00 0.00 0.00 179.25 178.90 1jww h VAL 61 N 0.07 1.31 -0.19 0.00 2.07 -0.78 -2.05 116.25 116.68 1jww h VAL 61 Ca 0.21 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1jww h VAL 61 Cb 0.30 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1jww h VAL 61 CO -0.38 0.43 -0.34 -0.78 0.02 0.00 0.00 177.57 176.52 1jww h ASP 62 N 0.31 -1.08 -0.84 0.57 1.82 -0.11 -0.10 116.42 117.00 1jww h ASP 62 Ca 0.05 0.16 0.12 0.00 -0.39 0.00 0.00 57.03 56.97 1jww h ASP 62 Cb 0.76 0.47 -0.08 0.00 0.68 0.00 0.00 39.33 41.15 1jww h ASP 62 CO 0.05 -0.36 0.46 0.50 -1.61 0.00 0.00 179.24 178.28 1jww h LYS 63 N -0.38 0.69 -0.50 0.28 3.64 -0.78 0.75 116.57 120.27 1jww h LYS 63 Ca 0.11 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1jww h LYS 63 Cb 0.56 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1jww h LYS 63 CO -0.41 0.46 0.46 1.25 -2.27 0.00 0.00 179.45 178.94 1jww h LEU 64 N 0.71 0.00 0.00 5.20 5.85 -0.26 -3.46 115.31 123.35 1jww h LEU 64 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1jww h LEU 64 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jww h LEU 64 CO -0.30 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.41 1jww n GLY 65 N -1.55 1.57 3.30 3.75 0.00 0.25 -5.09 105.19 107.43 1jww n GLY 65 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1jww n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jww s TYR 66 N 0.00 1.58 0.31 1.61 -0.85 -1.23 -4.99 117.35 113.78 1jww s TYR 66 Ca 0.00 -0.58 -0.04 0.00 -0.52 0.00 0.00 57.07 55.92 1jww s TYR 66 Cb 0.00 -0.77 -0.05 0.00 0.38 0.00 0.00 41.96 41.52 1jww s TYR 66 CO 0.00 0.26 0.57 -1.59 -1.52 0.00 0.00 175.55 173.27 1jww s LYS 67 N -3.30 3.61 0.03 -3.49 -2.85 -1.25 -3.08 119.74 109.42 1jww s LYS 67 Ca 0.17 -0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.16 1jww s LYS 67 Cb -0.02 -2.63 -0.02 0.00 -2.06 0.00 0.00 37.83 33.11 1jww s LYS 67 CO 0.05 0.18 -0.09 -1.17 0.10 0.00 0.00 175.35 174.42 1jww s LEU 68 N -3.71 2.16 -0.10 2.77 2.96 -1.26 -2.71 118.68 118.79 1jww s LEU 68 Ca 0.44 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1jww s LEU 68 Cb -0.11 -0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.30 1jww s LEU 68 CO 0.31 -0.06 0.27 -0.75 -1.32 0.00 0.00 176.35 174.80 1jww s LYS 69 N -1.05 0.29 0.70 1.98 2.47 -1.01 -4.90 119.74 118.20 1jww s LYS 69 Ca -0.03 0.42 -0.15 0.00 -1.56 0.00 0.00 55.97 54.65 1jww s LYS 69 Cb -0.07 0.08 0.02 0.00 -1.46 0.00 0.00 37.83 36.40 1jww s LYS 69 CO 0.00 -0.07 1.18 -1.17 0.16 0.00 0.00 175.35 175.45 1jww s LEU 70 N 0.46 3.36 0.05 5.43 0.20 -1.26 -0.11 118.68 126.82 1jww s LEU 70 Ca -0.03 2.25 -0.01 0.00 0.69 0.00 0.00 54.13 57.04 1jww s LEU 70 Cb -0.04 -4.58 -0.00 0.00 -0.43 0.00 0.00 46.19 41.14 1jww s LEU 70 CO -0.02 -2.02 -0.01 1.17 -0.29 0.00 0.00 176.35 175.17 1jww n LYS 71 N -2.54 0.02 0.00 1.98 4.81 0.57 -4.77 118.16 118.22 1jww n LYS 71 Ca 0.12 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1jww n LYS 71 Cb 0.51 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 35.20 1jww n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jww n GLY 72 N 3.40 -1.94 3.59 3.14 0.00 -1.21 -5.03 105.19 107.15 1jww n GLY 72 Ca -0.00 0.57 0.01 0.00 0.00 0.00 0.00 46.02 46.60 1jww n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jww s GLU 73 N -0.13 0.05 0.17 1.61 -1.05 -1.26 -3.77 118.70 114.33 1jww s GLU 73 Ca 0.00 -0.03 -0.32 0.00 -0.15 0.00 0.00 54.97 54.47 1jww s GLU 73 Cb 0.00 0.02 -0.12 0.00 -0.44 0.00 0.00 34.13 33.59 1jww s GLU 73 CO 0.00 -0.02 1.76 0.94 0.95 0.00 0.00 175.26 178.88 1jww n GLN 74 N -0.30 2.72 -0.37 -4.83 0.00 -1.26 -4.58 117.38 108.75 1jww n GLN 74 Ca -0.04 0.98 0.03 0.00 -0.00 0.00 0.00 57.00 57.97 1jww n GLN 74 Cb 0.61 -2.84 0.10 0.00 0.00 0.00 0.00 30.24 28.10 1jww n GLN 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1jww n ASP 75 N 4.58 -0.49 -4.56 1.69 8.00 -1.26 -3.66 116.55 120.86 1jww n ASP 75 Ca 0.17 1.73 -0.41 0.00 0.71 0.00 0.00 54.79 56.99 1jww n ASP 75 Cb 0.35 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 1jww n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jww s SER 76 N -5.30 6.26 0.00 -2.24 0.01 -1.26 -5.06 113.70 106.11 1jww s SER 76 Ca -0.14 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1jww s SER 76 Cb 0.24 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1jww s SER 76 CO 0.75 -0.39 0.00 -0.38 0.41 0.00 0.00 173.24 173.63 1jww n ILE 77 N 5.31 0.00 -3.72 1.44 5.41 -1.24 -5.08 119.36 121.47 1jww n ILE 77 Ca -0.07 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 1jww n ILE 77 Cb 0.49 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.28 1jww n ILE 77 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1jww s GLU 78 N 0.00 0.09 -0.02 0.38 2.12 -1.26 -5.08 118.70 114.94 1jww s GLU 78 Ca 0.00 0.44 -0.07 0.00 0.36 0.00 0.00 54.97 55.70 1jww s GLU 78 Cb 0.00 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 1jww s GLU 78 CO 0.00 -0.20 -0.14 0.41 -0.54 0.00 0.00 175.26 174.78 1jww n GLY 79 N 4.50 -0.25 0.00 -1.50 0.00 -1.26 -5.27 105.19 101.42 1jww n GLY 79 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86