#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 2.00 -0.02 2.52 -4.23 -1.26 -4.60 115.64 110.05 1jww s THR 2 Ca 0.00 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1jww s THR 2 Cb 0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1jww s THR 2 CO 0.00 0.00 0.06 -0.70 -0.54 0.00 0.00 174.62 173.44 1jww s GLU 3 N -3.92 0.09 -0.10 3.99 2.12 0.11 -4.92 118.70 116.07 1jww s GLU 3 Ca 0.34 0.03 -0.19 0.00 0.36 0.00 0.00 54.97 55.51 1jww s GLU 3 Cb 0.04 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1jww s GLU 3 CO 0.19 -0.01 0.52 0.15 -0.54 0.00 0.00 175.26 175.56 1jww s LYS 4 N -0.08 4.34 0.04 4.30 3.01 -1.26 -1.14 119.74 128.94 1jww s LYS 4 Ca -0.01 0.54 0.03 0.00 -1.01 0.00 0.00 55.97 55.52 1jww s LYS 4 Cb -0.01 -3.42 -0.02 0.00 -1.01 0.00 0.00 37.83 33.37 1jww s LYS 4 CO 0.00 0.18 -0.11 0.00 0.51 0.00 0.00 175.35 175.93 1jww s ALA 5 N 0.52 0.85 0.11 5.17 0.00 0.31 -4.19 121.76 124.54 1jww s ALA 5 Ca 0.28 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1jww s ALA 5 Cb -0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1jww s ALA 5 CO 0.12 0.11 -0.22 -1.21 0.00 0.00 0.00 175.76 174.56 1jww s GLU 6 N -1.22 1.21 0.00 0.00 2.02 -1.24 -0.74 118.70 118.72 1jww s GLU 6 Ca -0.03 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.74 1jww s GLU 6 Cb -0.08 -1.53 -0.00 0.00 0.10 0.00 0.00 34.13 32.62 1jww s GLU 6 CO 0.01 0.35 -0.02 -0.06 0.02 0.00 0.00 175.26 175.56 1jww s PHE 7 N -1.18 0.19 -0.16 1.61 0.40 0.09 -0.27 117.98 118.66 1jww s PHE 7 Ca 0.09 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1jww s PHE 7 Cb -0.10 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.27 1jww s PHE 7 CO 0.05 -0.02 0.11 0.34 0.70 0.00 0.00 175.22 176.41 1jww s ASP 8 N -0.18 6.11 -0.25 1.36 -1.08 0.74 -1.52 116.67 121.86 1jww s ASP 8 Ca -0.01 0.30 -0.07 0.00 -0.52 0.00 0.00 52.55 52.25 1jww s ASP 8 Cb -0.02 -2.01 -0.02 0.00 -1.46 0.00 0.00 42.92 39.41 1jww s ASP 8 CO -0.00 0.29 0.05 -0.63 0.52 0.00 0.00 175.17 175.39 1jww s ILE 9 N -0.29 4.08 -0.52 4.11 -1.09 -1.25 -2.81 121.20 123.43 1jww s ILE 9 Ca 0.10 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1jww s ILE 9 Cb -0.12 -2.92 0.14 0.00 -1.58 0.00 0.00 42.46 37.98 1jww s ILE 9 CO 0.01 0.33 0.34 -1.61 -1.23 0.00 0.00 174.94 172.78 1jww s GLU 10 N 1.57 2.36 0.00 2.79 2.02 -0.13 -4.88 118.70 122.43 1jww s GLU 10 Ca 0.06 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.94 1jww s GLU 10 Cb -0.15 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1jww s GLU 10 CO 0.02 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1jww n GLY 11 N 4.19 -0.31 3.88 -1.39 0.00 -1.26 -0.99 105.19 109.31 1jww n GLY 11 Ca 0.01 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 3.72 -0.49 1.61 -1.94 -1.26 -5.06 119.30 115.89 1jww s MET 12 Ca 0.00 0.50 0.06 0.00 -1.71 0.00 0.00 55.69 54.55 1jww s MET 12 Cb 0.00 -2.31 0.22 0.00 2.01 0.00 0.00 34.83 34.74 1jww s MET 12 CO 0.00 -0.18 0.77 -2.37 -0.01 0.00 0.00 175.02 173.23 1jww n THR 13 N -1.75 -0.13 -3.48 2.05 5.66 -1.26 -5.00 114.28 110.38 1jww n THR 13 Ca 0.03 -1.62 -0.10 0.00 -3.05 0.00 0.00 64.05 59.31 1jww n THR 13 Cb 0.54 0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 70.16 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww h ALA 15 N 2.00 1.65 0.00 0.00 0.00 -1.97 0.48 119.26 121.43 1jww h ALA 15 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1jww h ALA 15 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1jww h ALA 15 CO 0.33 0.14 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 1jww h ALA 16 N 1.56 1.07 0.00 0.00 0.00 -1.96 0.79 119.26 120.72 1jww h ALA 16 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jww h ALA 16 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jww h ALA 16 CO -0.20 0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 1jww n ALA 18 N -2.82 0.12 -0.02 0.00 0.00 0.01 -0.12 120.51 117.68 1jww n ALA 18 Ca -0.01 1.03 0.15 0.00 0.00 0.00 0.00 53.44 54.62 1jww n ALA 18 Cb 0.02 -0.57 0.59 0.00 0.00 0.00 0.00 19.45 19.49 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 0.18 0.19 0.00 -0.26 -1.01 0.78 115.58 115.46 1jww h ASN 19 Ca 0.42 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.16 1jww h ASN 19 Cb 0.66 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1jww h ASN 19 CO -0.98 0.11 -0.09 -0.09 -1.06 0.00 0.00 177.43 175.31 1jww h ARG 20 N 0.20 -0.25 -0.70 0.81 9.65 -0.65 -3.28 114.38 120.16 1jww h ARG 20 Ca 0.25 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.25 1jww h ARG 20 Cb 0.70 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 29.22 1jww h ARG 20 CO -0.04 0.14 -0.38 0.82 2.80 0.00 0.00 179.97 183.31 1jww h ILE 21 N -0.73 0.10 -0.86 1.20 1.08 -0.55 0.28 117.51 118.03 1jww h ILE 21 Ca -0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.61 1jww h ILE 21 Cb 0.50 0.10 -0.16 0.00 -3.07 0.00 0.00 36.82 34.19 1jww h ILE 21 CO 0.04 0.00 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.92 1jww h GLU 22 N -0.14 -0.01 -0.09 2.37 5.08 -1.08 0.30 114.58 121.01 1jww h GLU 22 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1jww h GLU 22 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1jww h GLU 22 CO -0.76 -0.01 -0.11 0.87 -1.00 0.00 0.00 179.01 178.00 1jww h LYS 23 N -0.01 0.23 -0.77 2.33 6.56 -1.16 0.85 116.57 124.59 1jww h LYS 23 Ca 0.39 -0.13 0.06 0.00 -1.06 0.00 0.00 60.65 59.92 1jww h LYS 23 Cb 0.62 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.25 1jww h LYS 23 CO -0.89 0.68 0.50 -0.09 -2.06 0.00 0.00 179.45 177.59 1jww h ARG 24 N -0.21 0.81 0.07 3.15 9.65 0.41 -0.23 114.38 128.02 1jww h ARG 24 Ca 0.01 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.66 1jww h ARG 24 Cb 0.65 -0.18 0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1jww h ARG 24 CO 0.03 0.54 -0.76 -0.07 2.80 0.00 0.00 179.97 182.51 1jww h LEU 25 N 0.83 0.54 -1.98 3.80 3.38 -0.48 -3.19 115.31 118.21 1jww h LEU 25 Ca 0.33 -0.85 0.18 0.00 0.09 0.00 0.00 57.88 57.63 1jww h LEU 25 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jww h LEU 25 CO -0.11 1.33 0.51 0.78 0.09 0.00 0.00 178.44 181.04 1jww h ASN 26 N -0.18 0.00 0.14 -0.43 4.21 -0.13 0.66 115.58 119.85 1jww h ASN 26 Ca -0.12 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.38 1jww h ASN 26 Cb 1.51 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.71 1jww h ASN 26 CO 0.15 0.00 -0.07 0.50 -1.29 0.00 0.00 177.43 176.71 1jww h LYS 27 N 0.00 0.00 -6.68 0.81 3.11 -1.04 -3.43 116.57 109.33 1jww h LYS 27 Ca 0.30 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.62 1jww h LYS 27 Cb 1.33 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 32.60 1jww h LYS 27 CO -0.00 0.07 0.74 0.42 -2.81 0.00 0.00 179.45 177.87 1jww s ILE 28 N -4.58 2.89 0.03 2.00 -1.09 0.22 -4.96 121.20 115.71 1jww s ILE 28 Ca -0.04 0.71 -0.27 0.00 -2.23 0.00 0.00 60.65 58.82 1jww s ILE 28 Cb 0.15 -3.45 -0.17 0.00 -1.58 0.00 0.00 42.46 37.41 1jww s ILE 28 CO 0.61 0.10 1.31 -0.08 -1.23 0.00 0.00 174.94 175.65 1jww h GLU 29 N 5.60 -0.62 -1.90 2.79 4.57 -1.84 -3.24 114.58 119.94 1jww h GLU 29 Ca -0.45 0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 57.56 1jww h GLU 29 Cb 1.21 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.86 1jww h GLU 29 CO 0.81 -0.32 0.04 0.41 -1.18 0.00 0.00 179.01 178.77 1jww n GLY 30 N -0.69 3.32 3.71 1.92 0.00 -0.84 -4.86 105.19 107.75 1jww n GLY 30 Ca -0.11 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.60 4.11 0.03 1.61 0.11 -1.23 -0.15 120.40 124.29 1jww s VAL 31 Ca 0.37 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1jww s VAL 31 Cb 0.22 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 1jww s VAL 31 CO -0.04 0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.82 1jww n ALA 32 N 0.45 3.00 -2.62 1.54 0.00 0.16 -4.93 120.51 118.11 1jww n ALA 32 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 1jww n ALA 32 Cb 0.52 0.39 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.20 0.54 -0.40 0.00 0.01 -0.42 -5.00 114.94 104.46 1jww s ASN 33 Ca 0.00 -0.71 0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1jww s ASN 33 Cb 0.00 0.11 0.32 0.00 0.41 0.00 0.00 41.25 42.10 1jww s ASN 33 CO 0.00 -0.38 0.81 0.00 -1.51 0.00 0.00 177.10 176.02 1jww n ALA 34 N 0.97 1.14 -1.86 0.60 0.00 -1.26 -0.16 120.51 119.95 1jww n ALA 34 Ca -0.20 -2.79 -0.41 0.00 0.00 0.00 0.00 53.44 50.04 1jww n ALA 34 Cb 0.57 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 0.52 2.59 -1.91 0.00 -0.04 -1.16 -4.72 135.00 130.28 1jww n PRO 35 Ca 0.19 -2.62 -0.35 0.00 -0.04 0.00 0.00 63.50 60.68 1jww n PRO 35 Cb 0.65 -3.31 0.04 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.41 2.80 -0.22 0.52 -7.23 -1.25 -4.29 120.40 115.14 1jww s VAL 36 Ca 0.52 0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 61.02 1jww s VAL 36 Cb 0.11 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 1jww s VAL 36 CO 0.01 -0.15 0.25 0.20 -0.31 0.00 0.00 175.10 175.10 1jww s ASN 37 N -1.90 6.26 -0.60 4.85 0.01 0.02 -4.92 114.94 118.67 1jww s ASN 37 Ca 0.74 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 1jww s ASN 37 Cb -0.27 -2.16 0.44 0.00 0.41 0.00 0.00 41.25 39.67 1jww s ASN 37 CO 0.36 0.03 1.81 2.22 -1.51 0.00 0.00 177.10 180.00 1jww n PHE 38 N 4.24 3.11 0.00 2.20 1.16 -1.26 -3.98 117.46 122.92 1jww n PHE 38 Ca -0.12 -2.77 0.00 0.00 -1.87 0.00 0.00 57.45 52.68 1jww n PHE 38 Cb 0.52 -1.11 0.00 0.00 -1.61 0.00 0.00 39.48 37.27 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 -0.81 0.00 0.39 1.98 0.00 -1.26 -4.21 120.51 116.61 1jww n ALA 39 Ca 0.57 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.14 1jww n ALA 39 Cb 0.68 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.49 1jww n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jww h LEU 40 N 0.00 0.00 -1.50 0.00 3.38 -1.99 -3.48 115.31 111.73 1jww h LEU 40 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1jww h LEU 40 Cb 0.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.84 1jww h LEU 40 CO 0.00 0.00 -0.42 -0.62 0.09 0.00 0.00 178.44 177.49 1jww n GLU 41 N -2.71 -4.06 -3.75 1.13 1.02 -1.26 -5.05 120.64 105.98 1jww n GLU 41 Ca 0.04 0.48 -0.15 0.00 -0.02 0.00 0.00 57.16 57.51 1jww n GLU 41 Cb 0.43 -4.43 -0.15 0.00 -0.02 0.00 0.00 31.44 27.26 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 -3.20 -0.07 -0.07 2.62 -4.23 -1.26 -3.91 115.64 105.52 1jww s THR 42 Ca 0.11 0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1jww s THR 42 Cb -0.05 -0.17 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 1jww s THR 42 CO 0.42 0.09 0.39 -0.69 -0.54 0.00 0.00 174.62 174.29 1jww s VAL 43 N 1.26 5.15 -0.15 2.29 1.01 -0.58 -0.80 120.40 128.59 1jww s VAL 43 Ca -0.08 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1jww s VAL 43 Cb -0.12 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1jww s VAL 43 CO -0.05 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 1jww s THR 44 N -0.26 1.95 0.11 3.92 2.01 -1.26 -0.73 115.64 121.37 1jww s THR 44 Ca 0.22 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.41 1jww s THR 44 Cb -0.15 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1jww s THR 44 CO 0.10 0.53 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.65 1jww s VAL 45 N 1.00 1.81 -0.31 3.82 1.01 0.08 -2.96 120.40 124.85 1jww s VAL 45 Ca -0.03 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.39 1jww s VAL 45 Cb -0.15 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.69 1jww s VAL 45 CO -0.05 -0.03 0.04 -0.70 0.00 0.00 0.00 175.10 174.35 1jww s GLU 46 N -1.93 1.29 0.16 2.72 -6.30 0.78 -0.53 118.70 114.89 1jww s GLU 46 Ca 0.08 -1.43 -0.00 0.00 -2.50 0.00 0.00 54.97 51.11 1jww s GLU 46 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 34.13 31.30 1jww s GLU 46 CO 0.05 -0.87 0.06 1.52 0.02 0.00 0.00 175.26 176.03 1jww s TYR 47 N 1.23 1.02 -0.20 5.30 -0.85 -0.29 -0.67 117.35 122.90 1jww s TYR 47 Ca 0.07 -1.22 -0.07 0.00 -0.52 0.00 0.00 57.07 55.32 1jww s TYR 47 Cb -0.18 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.56 1jww s TYR 47 CO -0.13 -0.48 0.06 0.54 -1.52 0.00 0.00 175.55 174.02 1jww s ASN 48 N -3.11 5.47 -1.22 -0.18 2.20 0.79 0.03 114.94 118.93 1jww s ASN 48 Ca 0.28 -0.00 -0.11 0.00 -0.94 0.00 0.00 52.86 52.08 1jww s ASN 48 Cb 0.07 -1.95 -0.06 0.00 -2.00 0.00 0.00 41.25 37.31 1jww s ASN 48 CO 0.05 0.12 2.37 -0.81 -2.94 0.00 0.00 177.10 175.89 1jww n PRO 49 N 3.90 2.65 0.14 3.55 -0.04 -1.26 -2.20 135.00 141.73 1jww n PRO 49 Ca -0.16 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1jww n PRO 49 Cb 0.52 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 4.86 0.00 -0.01 0.54 4.81 -1.26 -4.93 118.16 122.16 1jww n LYS 50 Ca 0.58 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1jww n LYS 50 Cb 0.26 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.35 1jww n LYS 50 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jww n GLU 51 N -3.35 0.33 -4.16 1.64 1.02 -1.20 -4.98 120.64 109.94 1jww n GLU 51 Ca 0.00 -1.03 -0.14 0.00 -0.02 0.00 0.00 57.16 55.96 1jww n GLU 51 Cb 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.64 1.06 0.09 0.62 0.00 -0.93 -1.99 121.76 119.96 1jww s ALA 52 Ca 0.09 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1jww s ALA 52 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1jww s ALA 52 CO 0.09 -0.03 0.19 -1.54 0.00 0.00 0.00 175.76 174.47 1jww s SER 53 N -2.32 0.13 0.16 0.00 1.04 -1.26 -4.27 113.70 107.17 1jww s SER 53 Ca 0.03 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1jww s SER 53 Cb -0.04 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1jww s SER 53 CO 0.00 -0.73 1.68 0.58 0.98 0.00 0.00 173.24 175.74 1jww h VAL 54 N 2.75 0.64 -0.56 5.02 2.07 -1.99 -1.96 116.25 122.22 1jww h VAL 54 Ca -0.34 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.29 1jww h VAL 54 Cb 1.20 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 1jww h VAL 54 CO 0.56 0.00 0.04 0.77 0.02 0.00 0.00 177.57 178.96 1jww h SER 55 N 0.01 -0.16 0.30 0.57 4.64 -1.98 0.49 113.55 117.43 1jww h SER 55 Ca 0.18 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1jww h SER 55 Cb 0.27 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1jww h SER 55 CO -0.37 -0.06 -0.15 -0.78 -0.87 0.00 0.00 176.83 174.60 1jww h ASP 56 N 0.16 -0.35 -0.59 4.97 1.82 -1.83 -0.32 116.42 120.28 1jww h ASP 56 Ca 0.29 -0.19 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 1jww h ASP 56 Cb 0.45 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 1jww h ASP 56 CO -0.44 0.05 0.02 0.17 -1.61 0.00 0.00 179.24 177.43 1jww h LEU 57 N -0.80 1.01 -0.82 2.28 8.10 -1.31 0.24 115.31 124.01 1jww h LEU 57 Ca -0.04 -0.30 0.17 0.00 0.11 0.00 0.00 57.88 57.82 1jww h LEU 57 Cb 0.51 -0.27 -0.15 0.00 -0.44 0.00 0.00 40.66 40.31 1jww h LEU 57 CO 0.07 1.06 -0.15 0.50 -4.11 0.00 0.00 178.44 175.81 1jww h LYS 58 N 0.93 0.02 -0.72 0.17 3.64 -0.93 -1.53 116.57 118.16 1jww h LYS 58 Ca 0.17 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1jww h LYS 58 Cb 0.53 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1jww h LYS 58 CO 0.03 0.01 0.41 1.49 -2.27 0.00 0.00 179.45 179.11 1jww h GLU 59 N 0.02 0.71 -0.08 1.90 4.22 0.13 0.30 114.58 121.77 1jww h GLU 59 Ca 0.41 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.85 1jww h GLU 59 Cb 0.67 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1jww h GLU 59 CO -0.82 0.47 -0.22 0.00 -2.18 0.00 0.00 179.01 176.26 1jww h ALA 60 N 1.37 -0.22 -0.60 2.92 0.00 -0.33 0.83 119.26 123.24 1jww h ALA 60 Ca 0.32 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1jww h ALA 60 Cb 0.21 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1jww h ALA 60 CO -0.19 -0.70 0.21 0.28 0.00 0.00 0.00 179.25 178.85 1jww h VAL 61 N -0.31 1.22 0.51 0.00 2.07 -0.61 -1.93 116.25 117.20 1jww h VAL 61 Ca 0.09 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1jww h VAL 61 Cb 0.43 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jww h VAL 61 CO -0.26 0.29 -0.24 -0.78 0.02 0.00 0.00 177.57 176.59 1jww h ASP 62 N 0.87 -0.58 -0.92 0.57 1.82 0.34 -2.12 116.42 116.40 1jww h ASP 62 Ca 0.20 0.01 0.10 0.00 -0.39 0.00 0.00 57.03 56.95 1jww h ASP 62 Cb 0.22 0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.30 1jww h ASP 62 CO -0.01 -0.39 0.55 0.50 -1.61 0.00 0.00 179.24 178.28 1jww h LYS 63 N -0.71 0.88 -1.03 0.28 1.63 -0.84 0.17 116.57 116.96 1jww h LYS 63 Ca -0.07 -0.05 0.28 0.00 -0.85 0.00 0.00 60.65 59.95 1jww h LYS 63 Cb 0.54 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.90 1jww h LYS 63 CO 0.11 0.58 0.70 1.25 -3.45 0.00 0.00 179.45 178.65 1jww h LEU 64 N 0.91 0.23 0.00 5.20 7.12 -0.70 -3.46 115.31 124.61 1jww h LEU 64 Ca 0.44 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.49 1jww h LEU 64 Cb 0.40 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1jww h LEU 64 CO -0.25 0.06 0.00 0.61 -0.13 0.00 0.00 178.44 178.73 1jww n GLY 65 N -1.61 1.61 3.26 3.75 0.00 0.60 -5.10 105.19 107.70 1jww n GLY 65 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.80 -0.02 1.61 1.13 -1.20 -5.02 117.35 112.65 1jww s TYR 66 Ca 0.00 -1.12 -0.00 0.00 -1.41 0.00 0.00 57.07 54.54 1jww s TYR 66 Cb 0.00 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 1jww s TYR 66 CO 0.00 -0.66 0.05 0.21 -2.51 0.00 0.00 175.55 172.64 1jww s LYS 67 N -4.06 3.00 0.04 -3.49 2.20 -0.16 -3.54 119.74 113.72 1jww s LYS 67 Ca 0.27 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1jww s LYS 67 Cb 0.05 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1jww s LYS 67 CO 0.06 0.66 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.39 1jww s LEU 68 N -1.52 2.16 0.04 5.43 2.96 -1.26 -0.96 118.68 125.53 1jww s LEU 68 Ca 0.20 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 1jww s LEU 68 Cb -0.12 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.00 1jww s LEU 68 CO 0.11 0.04 0.37 -0.54 -1.32 0.00 0.00 176.35 175.00 1jww s LYS 69 N -1.10 0.86 0.75 1.98 -0.14 -1.12 -4.95 119.74 116.02 1jww s LYS 69 Ca 0.02 -0.40 -0.14 0.00 -1.36 0.00 0.00 55.97 54.08 1jww s LYS 69 Cb -0.08 0.38 0.05 0.00 -1.68 0.00 0.00 37.83 36.50 1jww s LYS 69 CO 0.01 -0.29 1.18 -1.17 -0.76 0.00 0.00 175.35 174.33 1jww s LEU 70 N -1.97 3.25 -0.01 3.17 2.96 -1.26 -0.18 118.68 124.63 1jww s LEU 70 Ca -0.06 2.27 -0.07 0.00 -0.22 0.00 0.00 54.13 56.05 1jww s LEU 70 Cb -0.01 -4.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.08 1jww s LEU 70 CO -0.02 -2.28 -0.14 1.17 -1.32 0.00 0.00 176.35 173.76 1jww n LYS 71 N -2.91 0.21 0.00 1.98 4.81 0.63 -4.57 118.16 118.32 1jww n LYS 71 Ca 0.13 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1jww n LYS 71 Cb 0.51 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.68 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 2.67 -2.40 3.82 3.14 0.00 -1.17 -5.02 105.19 106.24 1jww n GLY 72 Ca -0.06 0.82 -0.06 0.00 0.00 0.00 0.00 46.02 46.73 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 1.67 -0.35 1.61 -1.05 -1.26 -3.70 118.70 115.62 1jww s GLU 73 Ca 0.00 -1.01 -0.39 0.00 -0.15 0.00 0.00 54.97 53.42 1jww s GLU 73 Cb 0.00 0.51 -0.14 0.00 -0.44 0.00 0.00 34.13 34.06 1jww s GLU 73 CO 0.00 -0.78 2.03 0.00 0.95 0.00 0.00 175.26 177.46 1jww n GLN 74 N -0.54 0.91 -2.15 -4.83 10.64 -1.26 -4.37 117.38 115.77 1jww n GLN 74 Ca -0.06 0.28 -0.30 0.00 -1.83 0.00 0.00 57.00 55.10 1jww n GLN 74 Cb 0.60 -2.17 -0.05 0.00 -0.86 0.00 0.00 30.24 27.76 1jww n GLN 74 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jww s ASP 75 N 5.79 5.38 0.17 2.61 -1.08 -1.26 -4.89 116.67 123.39 1jww s ASP 75 Ca 1.08 -1.26 0.06 0.00 -0.52 0.00 0.00 52.55 51.90 1jww s ASP 75 Cb -1.05 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 37.79 1jww s ASP 75 CO 0.58 -2.61 -0.12 -0.44 0.52 0.00 0.00 175.17 173.09 1jww s SER 76 N 6.85 2.15 -0.11 -0.34 0.01 -1.26 -5.15 113.70 115.84 1jww s SER 76 Ca 0.66 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1jww s SER 76 Cb -0.03 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1jww s SER 76 CO 0.04 -0.25 -0.11 0.27 0.41 0.00 0.00 173.24 173.61 1jww s ILE 77 N -3.09 1.21 -0.69 1.44 -4.36 -1.26 -4.91 121.20 109.53 1jww s ILE 77 Ca 0.19 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 1jww s ILE 77 Cb 0.01 -1.17 0.02 0.00 1.25 0.00 0.00 42.46 42.56 1jww s ILE 77 CO 0.03 0.39 0.59 -0.62 0.24 0.00 0.00 174.94 175.58 1jww n GLU 78 N 4.66 -1.58 -3.86 0.37 4.71 -1.26 -5.02 120.64 118.66 1jww n GLU 78 Ca -0.16 0.89 -0.12 0.00 -0.01 0.00 0.00 57.16 57.76 1jww n GLU 78 Cb 0.50 -2.05 -0.12 0.00 -1.01 0.00 0.00 31.44 28.76 1jww n GLU 78 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1jww s GLY 79 N -2.51 -0.02 0.00 0.62 0.00 -1.26 -5.33 107.32 98.82 1jww s GLY 79 Ca 0.10 0.12 0.24 0.00 0.00 0.00 0.00 44.72 45.18 1jww s GLY 79 CO 0.86 0.06 1.25 -2.13 0.00 0.00 0.00 173.10 173.13