#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 1.68 -0.00 2.52 -4.23 -1.26 -4.61 115.64 109.74 1jww s THR 2 Ca 0.00 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1jww s THR 2 Cb 0.00 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 1jww s THR 2 CO 0.00 -0.03 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.40 1jww s GLU 3 N -3.78 0.25 -0.06 3.99 2.02 0.70 -4.91 118.70 116.92 1jww s GLU 3 Ca 0.35 -0.13 -0.27 0.00 0.02 0.00 0.00 54.97 54.94 1jww s GLU 3 Cb 0.09 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 1jww s GLU 3 CO 0.17 0.06 0.89 0.15 0.02 0.00 0.00 175.26 176.54 1jww s LYS 4 N -0.13 4.47 -0.03 1.61 -0.14 -1.26 -0.93 119.74 123.32 1jww s LYS 4 Ca 0.01 1.21 0.04 0.00 -1.36 0.00 0.00 55.97 55.86 1jww s LYS 4 Cb -0.02 -3.49 -0.00 0.00 -1.68 0.00 0.00 37.83 32.65 1jww s LYS 4 CO -0.00 -0.10 -0.14 0.00 -0.76 0.00 0.00 175.35 174.35 1jww s ALA 5 N 1.28 1.20 0.07 5.17 0.00 0.52 -4.39 121.76 125.61 1jww s ALA 5 Ca 0.45 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.95 1jww s ALA 5 Cb -0.19 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1jww s ALA 5 CO 0.21 0.23 -0.20 -1.21 0.00 0.00 0.00 175.76 174.79 1jww s GLU 6 N -0.01 1.86 -0.02 0.00 0.41 -0.14 -0.88 118.70 119.91 1jww s GLU 6 Ca -0.01 -1.10 -0.01 0.00 -0.41 0.00 0.00 54.97 53.43 1jww s GLU 6 Cb -0.09 -2.10 0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1jww s GLU 6 CO 0.01 0.51 0.05 -0.06 -0.49 0.00 0.00 175.26 175.28 1jww s PHE 7 N -0.98 -0.04 -0.10 1.61 0.40 0.39 -0.20 117.98 119.06 1jww s PHE 7 Ca 0.15 0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.47 1jww s PHE 7 Cb -0.10 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1jww s PHE 7 CO 0.06 -0.05 0.40 -0.51 0.70 0.00 0.00 175.22 175.82 1jww s ASP 8 N 0.32 6.65 -0.33 1.36 1.01 0.80 -0.84 116.67 125.63 1jww s ASP 8 Ca -0.02 0.76 -0.11 0.00 0.71 0.00 0.00 52.55 53.89 1jww s ASP 8 Cb -0.04 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1jww s ASP 8 CO -0.01 0.13 0.18 -0.63 0.21 0.00 0.00 175.17 175.05 1jww s ILE 9 N 0.05 4.72 -0.57 0.77 -1.09 -1.15 -2.98 121.20 120.95 1jww s ILE 9 Ca 0.22 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 58.03 1jww s ILE 9 Cb -0.15 -3.47 0.14 0.00 -1.58 0.00 0.00 42.46 37.41 1jww s ILE 9 CO 0.09 -0.03 0.48 -1.61 -1.23 0.00 0.00 174.94 172.65 1jww s GLU 10 N 1.62 2.86 0.00 2.79 0.41 -0.32 -4.86 118.70 121.19 1jww s GLU 10 Ca 0.04 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 52.66 1jww s GLU 10 Cb -0.18 -4.12 0.00 0.00 -1.78 0.00 0.00 34.13 28.05 1jww s GLU 10 CO 0.07 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.00 1jww n GLY 11 N 4.72 -0.08 3.67 -1.39 0.00 -1.26 -0.89 105.19 109.96 1jww n GLY 11 Ca -0.05 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jww n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jww s MET 12 N 0.00 4.33 -0.43 1.61 -1.94 -1.26 -4.95 119.30 116.66 1jww s MET 12 Ca 0.00 1.22 0.10 0.00 -1.71 0.00 0.00 55.69 55.30 1jww s MET 12 Cb 0.00 -3.58 0.36 0.00 2.01 0.00 0.00 34.83 33.63 1jww s MET 12 CO 0.00 -0.39 0.84 0.25 -0.01 0.00 0.00 175.02 175.71 1jww n THR 13 N 4.79 1.07 0.00 2.05 -2.24 -1.26 -4.78 114.28 113.91 1jww n THR 13 Ca 0.08 -4.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.10 1jww n THR 13 Cb 0.48 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jww n ALA 15 N -3.00 2.92 -0.06 0.00 0.00 -1.26 -4.31 120.51 114.80 1jww n ALA 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jww n ALA 15 Cb 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 0.25 0.36 0.00 0.00 -1.98 0.27 119.26 118.16 1jww h ALA 16 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1jww h ALA 16 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jww h ALA 16 CO 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 179.23 1jww h ALA 18 N 0.06 0.89 -0.10 0.00 0.00 -1.78 0.39 119.26 118.71 1jww h ALA 18 Ca -0.05 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jww h ALA 18 Cb 0.42 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jww h ALA 18 CO 0.08 -0.36 0.08 -0.91 0.00 0.00 0.00 179.25 178.14 1jww h ASN 19 N 0.23 0.00 -0.35 0.00 -0.26 -0.17 -1.47 115.58 113.56 1jww h ASN 19 Ca 0.40 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.11 1jww h ASN 19 Cb 0.68 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 1jww h ASN 19 CO -0.52 0.00 0.09 -0.09 -1.06 0.00 0.00 177.43 175.85 1jww h ARG 20 N 0.00 0.55 -0.82 0.81 9.65 -0.51 -2.97 114.38 121.08 1jww h ARG 20 Ca 0.05 -0.13 0.20 0.00 -1.10 0.00 0.00 59.98 59.00 1jww h ARG 20 Cb 0.20 -0.07 -0.15 0.00 -1.39 0.00 0.00 29.97 28.56 1jww h ARG 20 CO -0.00 0.59 -0.01 0.82 2.80 0.00 0.00 179.97 184.18 1jww h ILE 21 N 0.41 0.25 -0.56 1.20 1.08 -1.16 0.10 117.51 118.82 1jww h ILE 21 Ca 0.11 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.67 1jww h ILE 21 Cb 0.28 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 34.09 1jww h ILE 21 CO -0.00 0.01 -0.17 -0.33 -0.69 0.00 0.00 178.15 176.97 1jww h GLU 22 N 0.08 -0.03 -0.07 2.37 5.08 -1.52 0.19 114.58 120.67 1jww h GLU 22 Ca 0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1jww h GLU 22 Cb 0.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1jww h GLU 22 CO -0.74 -0.02 -0.27 0.87 -1.00 0.00 0.00 179.01 177.85 1jww h LYS 23 N -0.04 0.31 -0.88 2.33 1.79 -1.23 0.82 116.57 119.67 1jww h LYS 23 Ca 0.27 -0.24 0.20 0.00 -2.18 0.00 0.00 60.65 58.71 1jww h LYS 23 Cb 0.45 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 31.02 1jww h LYS 23 CO -0.60 0.86 0.40 0.00 -1.08 0.00 0.00 179.45 179.04 1jww h ARG 24 N -0.18 0.44 0.17 3.15 2.47 -0.39 -0.61 114.38 119.42 1jww h ARG 24 Ca -0.01 -0.03 -0.25 0.00 -1.26 0.00 0.00 59.98 58.43 1jww h ARG 24 Cb 0.90 -0.10 0.03 0.00 -1.65 0.00 0.00 29.97 29.15 1jww h ARG 24 CO 0.06 0.29 -1.09 -0.07 0.56 0.00 0.00 179.97 179.71 1jww h LEU 25 N 0.45 0.66 -1.92 3.04 3.38 -0.62 -3.15 115.31 117.16 1jww h LEU 25 Ca 0.54 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1jww h LEU 25 Cb 0.97 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1jww h LEU 25 CO -0.49 1.52 0.23 0.78 0.09 0.00 0.00 178.44 180.57 1jww h ASN 26 N -0.09 0.00 -0.03 -0.43 2.35 -0.24 0.63 115.58 117.78 1jww h ASN 26 Ca -0.18 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1jww h ASN 26 Cb 1.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.21 1jww h ASN 26 CO 0.21 0.00 0.02 0.50 -1.65 0.00 0.00 177.43 176.51 1jww h LYS 27 N 0.00 0.00 -6.90 0.81 3.64 -1.08 -3.43 116.57 109.61 1jww h LYS 27 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1jww h LYS 27 Cb 0.46 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.38 1jww h LYS 27 CO 0.00 0.00 0.81 0.42 -2.27 0.00 0.00 179.45 178.41 1jww s ILE 28 N -4.98 2.06 -0.05 2.00 1.01 0.21 -4.95 121.20 116.51 1jww s ILE 28 Ca -0.05 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 1jww s ILE 28 Cb 0.17 -3.04 -0.21 0.00 0.01 0.00 0.00 42.46 39.38 1jww s ILE 28 CO 0.65 0.01 1.15 -0.08 0.00 0.00 0.00 174.94 176.67 1jww h GLU 29 N 3.59 0.04 -1.99 2.79 4.57 -1.88 -3.31 114.58 118.38 1jww h GLU 29 Ca -0.50 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 1jww h GLU 29 Cb 1.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1jww h GLU 29 CO 0.69 0.64 -0.07 0.41 -1.18 0.00 0.00 179.01 179.50 1jww n GLY 30 N 0.58 2.66 3.88 1.92 0.00 -1.26 -4.87 105.19 108.10 1jww n GLY 30 Ca -0.09 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 0.15 5.04 -0.07 1.61 0.11 -1.25 -0.13 120.40 125.86 1jww s VAL 31 Ca 0.16 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 1jww s VAL 31 Cb 0.08 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1jww s VAL 31 CO -0.00 -0.02 -0.15 0.00 -3.33 0.00 0.00 175.10 171.60 1jww n ALA 32 N -0.19 2.18 -3.52 1.54 0.00 0.37 -4.92 120.51 115.97 1jww n ALA 32 Ca -0.07 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 1jww n ALA 32 Cb 0.53 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.19 1jww n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jww s ASN 33 N -6.02 -0.57 -0.40 0.00 2.20 -0.82 -5.00 114.94 104.34 1jww s ASN 33 Ca -0.15 0.52 0.12 0.00 -0.94 0.00 0.00 52.86 52.41 1jww s ASN 33 Cb 0.04 0.48 0.39 0.00 -2.00 0.00 0.00 41.25 40.16 1jww s ASN 33 CO 0.20 -0.59 0.88 0.00 -2.94 0.00 0.00 177.10 174.64 1jww n ALA 34 N 0.66 3.26 -2.26 3.54 0.00 -1.26 -0.32 120.51 124.13 1jww n ALA 34 Ca -0.16 -3.67 -0.36 0.00 0.00 0.00 0.00 53.44 49.24 1jww n ALA 34 Cb 0.58 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.01 2.41 -2.02 0.00 -0.04 -1.11 -4.52 135.00 129.71 1jww n PRO 35 Ca 0.23 -2.84 -0.35 0.00 -0.04 0.00 0.00 63.50 60.51 1jww n PRO 35 Cb 0.66 -3.57 0.03 0.00 -0.04 0.00 0.00 33.50 30.57 1jww n PRO 35 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jww s VAL 36 N 7.26 2.91 -0.91 0.52 -7.23 -1.26 -4.15 120.40 117.53 1jww s VAL 36 Ca 0.60 0.53 -0.15 0.00 -1.81 0.00 0.00 61.98 61.15 1jww s VAL 36 Cb 0.03 -3.16 0.19 0.00 0.56 0.00 0.00 36.38 33.99 1jww s VAL 36 CO 0.10 -0.16 0.97 0.20 -0.31 0.00 0.00 175.10 175.91 1jww s ASN 37 N -1.86 6.78 -0.36 4.85 0.01 0.16 -4.91 114.94 119.62 1jww s ASN 37 Ca 0.74 -2.54 -0.05 0.00 -0.71 0.00 0.00 52.86 50.30 1jww s ASN 37 Cb -0.26 -2.29 -0.13 0.00 0.41 0.00 0.00 41.25 38.98 1jww s ASN 37 CO 0.33 -0.75 2.38 2.22 -1.51 0.00 0.00 177.10 179.77 1jww n PHE 38 N 4.95 0.53 0.00 2.20 1.16 -1.26 -2.31 117.46 122.72 1jww n PHE 38 Ca 0.20 -1.35 0.00 0.00 -1.87 0.00 0.00 57.45 54.43 1jww n PHE 38 Cb 0.47 -1.37 0.00 0.00 -1.61 0.00 0.00 39.48 36.97 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jww n ALA 39 N 3.19 0.00 0.80 1.98 0.00 -1.26 -4.68 120.51 120.53 1jww n ALA 39 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.91 1jww n ALA 39 Cb 0.42 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.87 0.53 -1.04 0.00 4.77 -0.98 -4.95 117.00 114.47 1jww n LEU 40 Ca 0.00 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1jww n LEU 40 Cb 0.00 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1jww n LEU 40 CO 0.00 0.00 0.03 -0.62 -1.33 0.00 0.00 177.39 175.47 1jww n GLU 41 N -1.82 -1.46 -3.89 3.23 1.02 -1.07 -5.04 120.64 111.62 1jww n GLU 41 Ca 0.05 0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 1jww n GLU 41 Cb 0.39 -3.47 -0.16 0.00 -0.02 0.00 0.00 31.44 28.17 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 -2.85 0.11 -0.08 2.62 -4.23 -1.25 -2.92 115.64 107.03 1jww s THR 42 Ca 0.10 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.54 1jww s THR 42 Cb -0.04 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1jww s THR 42 CO 0.12 0.13 0.54 -0.69 -0.54 0.00 0.00 174.62 174.18 1jww s VAL 43 N 1.04 5.10 -0.25 2.29 1.01 -0.02 -0.66 120.40 128.91 1jww s VAL 43 Ca -0.10 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 1jww s VAL 43 Cb -0.13 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1jww s VAL 43 CO -0.02 0.34 0.01 -0.89 0.00 0.00 0.00 175.10 174.54 1jww s THR 44 N 0.43 3.61 -0.00 3.92 2.01 -1.26 -0.46 115.64 123.88 1jww s THR 44 Ca 0.29 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1jww s THR 44 Cb -0.16 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 1jww s THR 44 CO 0.13 0.29 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.43 1jww s VAL 45 N 1.48 1.82 -0.32 3.82 1.01 -0.06 -2.76 120.40 125.40 1jww s VAL 45 Ca 0.04 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1jww s VAL 45 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1jww s VAL 45 CO -0.01 0.45 0.22 -0.70 0.00 0.00 0.00 175.10 175.05 1jww s GLU 46 N -0.72 3.64 0.20 2.72 2.12 0.57 -0.35 118.70 126.88 1jww s GLU 46 Ca 0.09 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.79 1jww s GLU 46 Cb -0.09 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1jww s GLU 46 CO -0.00 -0.35 0.33 1.52 -0.54 0.00 0.00 175.26 176.22 1jww s TYR 47 N 1.73 0.52 -0.15 5.30 1.13 -0.11 -0.48 117.35 125.29 1jww s TYR 47 Ca 0.06 -0.85 -0.08 0.00 -1.41 0.00 0.00 57.07 54.79 1jww s TYR 47 Cb -0.17 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 1jww s TYR 47 CO 0.10 -0.81 0.13 0.54 -2.51 0.00 0.00 175.55 173.00 1jww s ASN 48 N -3.02 6.23 -0.66 -0.18 2.20 0.82 -0.21 114.94 120.12 1jww s ASN 48 Ca 0.23 0.35 -0.07 0.00 -0.94 0.00 0.00 52.86 52.43 1jww s ASN 48 Cb 0.02 -2.04 -0.19 0.00 -2.00 0.00 0.00 41.25 37.04 1jww s ASN 48 CO 0.06 0.32 3.34 -0.81 -2.94 0.00 0.00 177.10 177.06 1jww n PRO 49 N 2.61 2.70 -0.01 3.55 -0.04 -1.26 -3.82 135.00 138.73 1jww n PRO 49 Ca -0.18 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1jww n PRO 49 Cb 0.54 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1jww n PRO 49 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jww n LYS 50 N 2.87 0.57 0.08 0.54 -0.00 -1.26 -4.94 118.16 116.01 1jww n LYS 50 Ca 0.57 -0.70 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1jww n LYS 50 Cb 0.64 -0.60 0.00 0.00 -0.00 0.00 0.00 35.03 35.07 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jww n GLU 51 N -0.10 0.00 -4.25 -1.58 0.00 -1.25 -5.03 120.64 108.43 1jww n GLU 51 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 1jww n GLU 51 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.84 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jww s ALA 52 N -1.95 4.03 0.30 4.31 0.00 -1.26 -4.99 121.76 122.20 1jww s ALA 52 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1jww s ALA 52 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 1jww s ALA 52 CO 0.00 -0.22 0.01 -1.54 0.00 0.00 0.00 175.76 174.01 1jww s SER 53 N -4.02 2.43 0.17 0.00 1.04 -1.26 -4.59 113.70 107.47 1jww s SER 53 Ca 0.28 -1.29 -0.20 0.00 0.48 0.00 0.00 55.95 55.21 1jww s SER 53 Cb 0.01 -0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.13 1jww s SER 53 CO 0.16 -0.51 1.62 0.58 0.98 0.00 0.00 173.24 176.07 1jww h VAL 54 N 2.22 0.33 -0.94 5.02 2.07 -1.99 -0.01 116.25 122.95 1jww h VAL 54 Ca -0.40 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.30 1jww h VAL 54 Cb 1.24 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1jww h VAL 54 CO 0.68 0.00 0.60 0.28 0.02 0.00 0.00 177.57 179.15 1jww h SER 55 N -0.17 0.60 0.43 0.57 0.02 -1.99 -0.76 113.55 112.24 1jww h SER 55 Ca 0.20 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1jww h SER 55 Cb 0.48 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jww h SER 55 CO -0.52 0.25 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.43 1jww h ASP 56 N 0.60 -0.49 -0.36 3.07 1.82 -1.69 -3.26 116.42 116.12 1jww h ASP 56 Ca 0.50 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 57.17 1jww h ASP 56 Cb 0.96 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1jww h ASP 56 CO -0.25 -0.08 0.20 0.17 -1.61 0.00 0.00 179.24 177.68 1jww h LEU 57 N -1.12 0.32 -1.44 2.28 8.10 -0.49 0.23 115.31 123.19 1jww h LEU 57 Ca -0.06 0.01 0.29 0.00 0.11 0.00 0.00 57.88 58.23 1jww h LEU 57 Cb 0.44 -0.06 -0.09 0.00 -0.44 0.00 0.00 40.66 40.51 1jww h LEU 57 CO 0.10 0.23 0.71 0.07 -4.11 0.00 0.00 178.44 175.43 1jww h LYS 58 N 0.41 0.31 -0.89 0.17 5.09 -1.33 -0.49 116.57 119.83 1jww h LYS 58 Ca 0.15 -0.02 0.19 0.00 0.09 0.00 0.00 60.65 61.06 1jww h LYS 58 Cb 0.02 -0.07 -0.07 0.00 0.10 0.00 0.00 32.23 32.22 1jww h LYS 58 CO -0.08 0.20 0.58 1.49 -2.09 0.00 0.00 179.45 179.56 1jww h GLU 59 N 0.32 0.46 0.21 0.07 4.22 -0.57 0.19 114.58 119.47 1jww h GLU 59 Ca 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 60.02 1jww h GLU 59 Cb 1.70 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1jww h GLU 59 CO -0.28 0.30 -0.10 0.00 -2.18 0.00 0.00 179.01 176.75 1jww h ALA 60 N 1.61 -0.28 -0.40 2.92 0.00 -1.15 0.16 119.26 122.13 1jww h ALA 60 Ca 0.46 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1jww h ALA 60 Cb 1.05 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1jww h ALA 60 CO -0.19 -0.57 0.08 0.28 0.00 0.00 0.00 179.25 178.86 1jww h VAL 61 N -0.46 0.80 0.03 0.00 2.07 -1.43 -0.47 116.25 116.80 1jww h VAL 61 Ca -0.03 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1jww h VAL 61 Cb 0.35 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1jww h VAL 61 CO 0.05 0.04 -0.35 -0.78 0.02 0.00 0.00 177.57 176.55 1jww h ASP 62 N 0.21 -1.03 -0.94 0.57 1.82 -0.33 -0.81 116.42 115.91 1jww h ASP 62 Ca 0.19 0.13 0.07 0.00 -0.39 0.00 0.00 57.03 57.03 1jww h ASP 62 Cb 0.22 0.41 -0.06 0.00 0.68 0.00 0.00 39.33 40.58 1jww h ASP 62 CO -0.25 -0.41 0.61 0.50 -1.61 0.00 0.00 179.24 178.08 1jww h LYS 63 N -0.52 1.02 0.00 0.28 1.63 -0.55 0.11 116.57 118.53 1jww h LYS 63 Ca 0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1jww h LYS 63 Cb 0.59 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1jww h LYS 63 CO -0.26 0.67 0.00 -0.07 -3.45 0.00 0.00 179.45 176.34 1jww h LEU 64 N 1.05 0.00 0.00 5.20 4.07 0.34 -3.46 115.31 122.51 1jww h LEU 64 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1jww h LEU 64 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1jww h LEU 64 CO -0.16 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.81 1jww n GLY 65 N -1.03 1.19 3.18 0.83 0.00 0.37 -5.08 105.19 104.65 1jww n GLY 65 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.93 -0.07 1.61 1.13 -1.18 -4.97 117.35 112.80 1jww s TYR 66 Ca 0.00 -0.95 -0.02 0.00 -1.41 0.00 0.00 57.07 54.69 1jww s TYR 66 Cb 0.00 -0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 40.29 1jww s TYR 66 CO 0.00 -0.18 0.03 0.21 -2.51 0.00 0.00 175.55 173.09 1jww s LYS 67 N -3.86 3.02 0.05 -3.49 2.20 -0.07 -2.86 119.74 114.72 1jww s LYS 67 Ca 0.14 -0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.42 1jww s LYS 67 Cb 0.06 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 1jww s LYS 67 CO -0.03 0.70 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.26 1jww s LEU 68 N -1.08 2.41 0.03 5.43 2.96 -1.26 -1.17 118.68 126.00 1jww s LEU 68 Ca 0.15 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.37 1jww s LEU 68 Cb -0.11 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.20 1jww s LEU 68 CO 0.05 0.25 0.41 -0.54 -1.32 0.00 0.00 176.35 175.20 1jww s LYS 69 N -1.39 0.88 0.62 1.98 -0.14 -1.16 -4.93 119.74 115.60 1jww s LYS 69 Ca 0.13 -0.28 -0.17 0.00 -1.36 0.00 0.00 55.97 54.29 1jww s LYS 69 Cb -0.10 0.40 -0.02 0.00 -1.68 0.00 0.00 37.83 36.42 1jww s LYS 69 CO 0.04 -0.29 1.14 -1.17 -0.76 0.00 0.00 175.35 174.31 1jww s LEU 70 N -1.81 3.55 -0.16 3.17 2.96 -1.26 -0.14 118.68 124.99 1jww s LEU 70 Ca -0.07 2.16 -0.14 0.00 -0.22 0.00 0.00 54.13 55.85 1jww s LEU 70 Cb -0.02 -4.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.04 1jww s LEU 70 CO -0.00 -1.54 -0.30 1.17 -1.32 0.00 0.00 176.35 174.36 1jww n LYS 71 N -1.93 0.47 0.00 1.98 4.81 0.72 -4.62 118.16 119.59 1jww n LYS 71 Ca 0.12 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1jww n LYS 71 Cb 0.51 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.25 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 1.70 -1.70 3.64 3.14 0.00 -1.08 -5.01 105.19 105.87 1jww n GLY 72 Ca -0.21 0.66 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.58 -0.01 1.61 -1.05 -1.26 -0.97 118.70 117.60 1jww s GLU 73 Ca 0.00 0.70 -0.23 0.00 -0.15 0.00 0.00 54.97 55.30 1jww s GLU 73 Cb 0.00 0.28 -0.19 0.00 -0.44 0.00 0.00 34.13 33.78 1jww s GLU 73 CO 0.00 -0.07 1.19 0.37 0.95 0.00 0.00 175.26 177.70 1jww h GLN 74 N 4.46 0.23 -6.47 -4.83 4.15 -1.84 -3.44 115.11 107.36 1jww h GLN 74 Ca -0.28 -0.17 -0.37 0.00 0.77 0.00 0.00 58.65 58.60 1jww h GLN 74 Cb 1.17 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1jww h GLN 74 CO 0.09 0.79 -1.13 -3.47 -1.93 0.00 0.00 178.83 173.19 1jww n ASP 75 N -4.57 -5.63 -3.93 -0.69 2.03 -1.26 -4.81 116.55 97.69 1jww n ASP 75 Ca -0.08 -0.23 -0.41 0.00 0.52 0.00 0.00 54.79 54.59 1jww n ASP 75 Cb 0.42 -2.00 -0.02 0.00 -0.72 0.00 0.00 41.12 38.79 1jww n ASP 75 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1jww n SER 76 N -0.59 3.70 -4.58 1.67 2.88 -1.26 -4.88 113.62 110.57 1jww n SER 76 Ca -0.10 -2.81 -0.31 0.00 -1.33 0.00 0.00 58.87 54.32 1jww n SER 76 Cb 0.67 -1.56 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 1jww n SER 76 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1jww s ILE 77 N 4.40 3.66 0.90 2.46 -4.36 -1.26 -4.96 121.20 122.04 1jww s ILE 77 Ca 0.52 -1.11 -0.12 0.00 -0.26 0.00 0.00 60.65 59.68 1jww s ILE 77 Cb 0.11 -4.70 0.13 0.00 1.25 0.00 0.00 42.46 39.26 1jww s ILE 77 CO 0.01 -1.19 1.09 -0.70 0.24 0.00 0.00 174.94 174.39 1jww s GLU 78 N 6.03 1.22 -0.58 0.37 2.56 -1.26 -5.01 118.70 122.03 1jww s GLU 78 Ca 0.66 0.73 -0.13 0.00 0.00 0.00 0.00 54.97 56.22 1jww s GLU 78 Cb 0.00 -1.81 0.15 0.00 2.00 0.00 0.00 34.13 34.47 1jww s GLU 78 CO 0.12 -2.24 0.51 0.20 -0.56 0.00 0.00 175.26 173.29 1jww s GLY 79 N -3.51 2.21 0.00 -1.50 0.00 -1.26 -5.32 107.32 97.94 1jww s GLY 79 Ca 0.63 -2.73 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1jww s GLY 79 CO 0.57 1.18 0.00 -2.13 0.00 0.00 0.00 173.10 172.72