#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 0.28 0.09 1.55 -4.23 -1.26 -4.65 115.64 107.42 1jww s THR 2 Ca 0.00 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1jww s THR 2 Cb 0.00 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 1jww s THR 2 CO 0.00 -0.78 -0.20 -0.70 -0.54 0.00 0.00 174.62 172.41 1jww s GLU 3 N -3.95 1.07 -0.17 3.99 2.12 0.56 -4.89 118.70 117.42 1jww s GLU 3 Ca 0.14 -1.12 -0.08 0.00 0.36 0.00 0.00 54.97 54.28 1jww s GLU 3 Cb 0.07 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1jww s GLU 3 CO -0.05 0.30 0.08 0.15 -0.54 0.00 0.00 175.26 175.20 1jww s LYS 4 N -1.86 3.91 0.04 4.30 3.01 -1.26 -0.68 119.74 127.20 1jww s LYS 4 Ca 0.05 -0.29 -0.01 0.00 -1.01 0.00 0.00 55.97 54.71 1jww s LYS 4 Cb -0.10 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.45 1jww s LYS 4 CO 0.04 0.37 -0.02 0.00 0.51 0.00 0.00 175.35 176.24 1jww s ALA 5 N 0.12 0.37 0.10 5.17 0.00 0.23 -4.66 121.76 123.11 1jww s ALA 5 Ca 0.06 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1jww s ALA 5 Cb -0.12 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1jww s ALA 5 CO 0.00 -0.32 -0.16 -1.21 0.00 0.00 0.00 175.76 174.07 1jww s GLU 6 N -3.24 0.99 0.01 0.00 2.02 -1.04 -0.82 118.70 116.63 1jww s GLU 6 Ca 0.01 -1.12 -0.01 0.00 0.02 0.00 0.00 54.97 53.87 1jww s GLU 6 Cb 0.03 -1.05 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 1jww s GLU 6 CO -0.08 0.23 -0.01 -0.06 0.02 0.00 0.00 175.26 175.36 1jww s PHE 7 N -1.52 0.16 -0.18 1.61 0.40 0.29 -0.06 117.98 118.67 1jww s PHE 7 Ca 0.04 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1jww s PHE 7 Cb -0.08 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.31 1jww s PHE 7 CO 0.03 -0.13 -0.04 0.34 0.70 0.00 0.00 175.22 176.12 1jww s ASP 8 N -0.96 4.60 -0.41 1.36 -1.08 0.72 -0.83 116.67 120.06 1jww s ASP 8 Ca -0.11 -0.24 -0.15 0.00 -0.52 0.00 0.00 52.55 51.54 1jww s ASP 8 Cb -0.07 -1.77 0.03 0.00 -1.46 0.00 0.00 42.92 39.66 1jww s ASP 8 CO -0.01 0.09 0.30 -0.63 0.52 0.00 0.00 175.17 175.45 1jww s ILE 9 N 0.84 5.20 -1.21 4.11 -1.09 -1.02 -3.52 121.20 124.51 1jww s ILE 9 Ca -0.01 -0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 57.60 1jww s ILE 9 Cb -0.15 -3.92 0.21 0.00 -1.58 0.00 0.00 42.46 37.02 1jww s ILE 9 CO 0.02 -0.33 1.61 -0.62 -1.23 0.00 0.00 174.94 174.38 1jww n GLU 10 N 5.15 3.71 0.00 2.79 1.02 -1.08 -4.76 120.64 127.48 1jww n GLU 10 Ca -0.11 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.12 1jww n GLU 10 Cb 0.47 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 1jww n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jww n GLY 11 N 2.84 -0.75 3.72 0.62 0.00 -1.26 -3.34 105.19 107.02 1jww n GLY 11 Ca 0.35 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.42 1.61 -1.94 -1.26 -4.96 119.30 116.66 1jww s MET 12 Ca 0.00 2.05 0.07 0.00 -1.71 0.00 0.00 55.69 56.10 1jww s MET 12 Cb 0.00 -3.25 0.24 0.00 2.01 0.00 0.00 34.83 33.83 1jww s MET 12 CO 0.00 -0.42 0.64 -2.37 -0.01 0.00 0.00 175.02 172.86 1jww n THR 13 N 3.92 -0.48 0.00 2.05 5.66 -1.26 -4.86 114.28 119.31 1jww n THR 13 Ca 0.11 -3.17 0.00 0.00 -3.05 0.00 0.00 64.05 57.94 1jww n THR 13 Cb 0.43 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww n ALA 15 N -3.00 1.83 -0.12 0.00 0.00 -1.26 -4.26 120.51 113.70 1jww n ALA 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jww n ALA 15 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.73 0.43 0.00 0.00 -1.99 0.30 119.26 118.72 1jww h ALA 16 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1jww h ALA 16 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jww h ALA 16 CO 0.00 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 1jww h ALA 18 N -0.31 1.79 -0.29 0.00 0.00 -1.81 0.35 119.26 118.99 1jww h ALA 18 Ca -0.06 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1jww h ALA 18 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jww h ALA 18 CO 0.10 -0.16 0.20 -0.91 0.00 0.00 0.00 179.25 178.48 1jww h ASN 19 N 0.68 0.05 0.07 0.00 -0.26 -0.30 -1.83 115.58 113.99 1jww h ASN 19 Ca 0.57 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 56.13 1jww h ASN 19 Cb 1.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1jww h ASN 19 CO -0.35 0.03 -0.64 -0.09 -1.06 0.00 0.00 177.43 175.32 1jww h ARG 20 N 0.06 0.55 -0.73 0.81 2.43 -0.92 -2.68 114.38 113.90 1jww h ARG 20 Ca 0.13 -0.39 0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1jww h ARG 20 Cb 0.46 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.94 1jww h ARG 20 CO -0.01 1.01 -0.33 0.82 -1.51 0.00 0.00 179.97 179.96 1jww h ILE 21 N 0.40 0.13 -0.68 1.20 2.04 -1.36 -0.36 117.51 118.88 1jww h ILE 21 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1jww h ILE 21 Cb 1.21 0.13 -0.11 0.00 -0.74 0.00 0.00 36.82 37.31 1jww h ILE 21 CO 0.12 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 178.01 1jww h GLU 22 N -0.09 0.17 -0.08 2.37 5.08 -1.44 0.40 114.58 120.99 1jww h GLU 22 Ca 0.29 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1jww h GLU 22 Cb 0.57 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jww h GLU 22 CO -0.79 0.11 -0.03 0.87 -1.00 0.00 0.00 179.01 178.17 1jww h LYS 23 N 0.17 0.16 -0.70 2.33 6.56 -1.42 0.17 116.57 123.84 1jww h LYS 23 Ca 0.37 -0.07 0.09 0.00 -1.06 0.00 0.00 60.65 59.98 1jww h LYS 23 Cb 0.62 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.22 1jww h LYS 23 CO -0.54 0.52 0.46 0.00 -2.06 0.00 0.00 179.45 177.83 1jww h ARG 24 N -0.21 0.61 0.13 3.15 2.47 0.54 -0.97 114.38 120.10 1jww h ARG 24 Ca 0.02 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 1jww h ARG 24 Cb 0.47 -0.14 0.02 0.00 -1.65 0.00 0.00 29.97 28.67 1jww h ARG 24 CO 0.01 0.40 -0.80 -0.07 0.56 0.00 0.00 179.97 180.07 1jww h LEU 25 N 0.63 0.44 -2.07 3.04 3.38 -0.24 -3.25 115.31 117.24 1jww h LEU 25 Ca 0.32 -0.95 0.08 0.00 0.09 0.00 0.00 57.88 57.42 1jww h LEU 25 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jww h LEU 25 CO -0.11 1.38 0.35 0.78 0.09 0.00 0.00 178.44 180.94 1jww h ASN 26 N -0.40 0.00 -0.62 -0.43 4.21 -0.16 0.16 115.58 118.34 1jww h ASN 26 Ca -0.14 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.41 1jww h ASN 26 Cb 1.62 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.78 1jww h ASN 26 CO 0.14 0.00 0.41 0.50 -1.29 0.00 0.00 177.43 177.19 1jww h LYS 27 N 0.00 0.65 -6.81 0.81 3.64 -1.22 -3.43 116.57 110.22 1jww h LYS 27 Ca 0.14 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.95 1jww h LYS 27 Cb 0.83 -0.15 0.09 0.00 -0.41 0.00 0.00 32.23 32.59 1jww h LYS 27 CO -0.00 0.43 0.90 0.42 -2.27 0.00 0.00 179.45 178.93 1jww s ILE 28 N -5.60 2.00 -0.01 2.00 -1.09 0.58 -4.96 121.20 114.12 1jww s ILE 28 Ca -0.09 0.00 -0.23 0.00 -2.23 0.00 0.00 60.65 58.10 1jww s ILE 28 Cb 0.19 -3.00 -0.16 0.00 -1.58 0.00 0.00 42.46 37.91 1jww s ILE 28 CO 0.76 0.00 1.09 -0.33 -1.23 0.00 0.00 174.94 175.23 1jww h GLU 29 N 4.83 -0.35 -1.92 2.79 5.08 -1.87 -3.27 114.58 119.88 1jww h GLU 29 Ca -0.47 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1jww h GLU 29 Cb 1.22 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1jww h GLU 29 CO 0.80 0.00 0.04 0.41 -1.00 0.00 0.00 179.01 179.26 1jww n GLY 30 N 0.01 2.83 3.90 -3.84 0.00 -1.26 -4.86 105.19 101.97 1jww n GLY 30 Ca -0.09 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.31 5.24 -0.03 1.61 0.11 -1.24 -0.11 120.40 125.67 1jww s VAL 31 Ca 0.12 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 1jww s VAL 31 Cb 0.07 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 1jww s VAL 31 CO -0.00 0.11 -0.14 0.00 -3.33 0.00 0.00 175.10 171.73 1jww n ALA 32 N 0.22 2.17 -2.83 1.54 0.00 0.56 -4.94 120.51 117.23 1jww n ALA 32 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1jww n ALA 32 Cb 0.51 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 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 -5.97 0.01 -0.36 0.00 0.01 -0.61 -5.00 114.94 103.02 1jww s ASN 33 Ca -0.12 -0.39 0.13 0.00 -0.71 0.00 0.00 52.86 51.77 1jww s ASN 33 Cb 0.02 0.32 0.38 0.00 0.41 0.00 0.00 41.25 42.38 1jww s ASN 33 CO 0.18 -0.61 0.83 0.00 -1.51 0.00 0.00 177.10 175.99 1jww n ALA 34 N 0.48 2.23 -2.14 0.60 0.00 -1.26 -0.36 120.51 120.05 1jww n ALA 34 Ca -0.18 -3.15 -0.38 0.00 0.00 0.00 0.00 53.44 49.73 1jww n ALA 34 Cb 0.60 -0.95 -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 2.42 -1.28 0.00 -0.04 -1.12 -4.63 135.00 130.52 1jww n PRO 35 Ca 0.18 -2.76 -0.35 0.00 -0.04 0.00 0.00 63.50 60.53 1jww n PRO 35 Cb 0.71 -3.49 0.10 0.00 -0.04 0.00 0.00 33.50 30.78 1jww n PRO 35 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jww n VAL 36 N 6.68 2.60 -3.48 0.52 0.24 -1.25 -4.18 118.33 119.45 1jww n VAL 36 Ca 0.48 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 1jww n VAL 36 Cb 0.45 -1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 31.62 1jww n VAL 36 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jww s ASN 37 N -1.78 6.77 -0.55 -1.34 0.01 0.10 -4.89 114.94 113.26 1jww s ASN 37 Ca 0.73 0.92 0.04 0.00 -0.71 0.00 0.00 52.86 53.84 1jww s ASN 37 Cb -0.33 -2.25 0.38 0.00 0.41 0.00 0.00 41.25 39.46 1jww s ASN 37 CO 0.50 0.27 1.14 2.22 -1.51 0.00 0.00 177.10 179.73 1jww n PHE 38 N 2.15 3.62 0.00 2.20 1.16 -1.26 -4.31 117.46 121.01 1jww n PHE 38 Ca -0.13 -3.40 0.00 0.00 -1.87 0.00 0.00 57.45 52.05 1jww n PHE 38 Cb 0.52 -0.37 0.00 0.00 -1.61 0.00 0.00 39.48 38.02 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 -0.37 0.00 1.36 1.98 0.00 -1.26 -4.80 120.51 117.42 1jww n ALA 39 Ca 0.37 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1jww n ALA 39 Cb 0.50 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.38 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 1.51 -2.27 0.00 4.77 -1.26 -4.95 117.00 114.80 1jww n LEU 40 Ca 0.00 -0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 55.33 1jww n LEU 40 Cb 0.00 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1jww n LEU 40 CO 0.00 0.26 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.70 1jww n GLU 41 N 0.02 -3.61 -3.80 3.23 1.02 -1.26 -4.97 120.64 111.26 1jww n GLU 41 Ca 0.16 0.67 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1jww n GLU 41 Cb 0.38 -5.03 -0.15 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.01 -0.04 -0.02 2.62 -4.23 -1.26 -2.45 115.64 107.26 1jww s THR 42 Ca 0.22 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.74 1jww s THR 42 Cb -0.10 -0.07 -0.05 0.00 1.34 0.00 0.00 72.50 73.61 1jww s THR 42 CO 0.28 0.05 0.35 -0.69 -0.54 0.00 0.00 174.62 174.07 1jww s VAL 43 N 0.68 5.14 -0.15 2.29 1.01 -0.01 -0.72 120.40 128.65 1jww s VAL 43 Ca -0.06 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1jww s VAL 43 Cb -0.08 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1jww s VAL 43 CO -0.02 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.62 1jww s THR 44 N -1.11 1.44 0.02 3.92 2.01 -1.26 -0.55 115.64 120.10 1jww s THR 44 Ca 0.23 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1jww s THR 44 Cb -0.15 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1jww s THR 44 CO 0.12 0.40 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.50 1jww s VAL 45 N 1.53 2.04 -0.33 3.82 1.01 0.00 -2.77 120.40 125.70 1jww s VAL 45 Ca 0.04 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1jww s VAL 45 Cb -0.13 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1jww s VAL 45 CO -0.10 0.44 0.10 -0.70 0.00 0.00 0.00 175.10 174.84 1jww s GLU 46 N -0.96 2.66 0.18 2.72 2.12 0.51 -0.60 118.70 125.34 1jww s GLU 46 Ca 0.11 -1.15 -0.13 0.00 0.36 0.00 0.00 54.97 54.15 1jww s GLU 46 Cb -0.10 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1jww s GLU 46 CO 0.01 -0.64 0.41 1.52 -0.54 0.00 0.00 175.26 176.01 1jww s TYR 47 N 1.41 0.13 -0.10 5.30 1.13 0.14 -0.32 117.35 125.04 1jww s TYR 47 Ca -0.01 -0.49 -0.13 0.00 -1.41 0.00 0.00 57.07 55.03 1jww s TYR 47 Cb -0.19 0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.79 1jww s TYR 47 CO 0.03 -0.82 0.32 0.54 -2.51 0.00 0.00 175.55 173.11 1jww s ASN 48 N -2.92 6.56 -1.04 -0.18 2.20 0.85 -0.33 114.94 120.09 1jww s ASN 48 Ca 0.13 0.67 -0.08 0.00 -0.94 0.00 0.00 52.86 52.63 1jww s ASN 48 Cb 0.01 -2.19 -0.14 0.00 -2.00 0.00 0.00 41.25 36.93 1jww s ASN 48 CO -0.01 0.21 3.16 -0.81 -2.94 0.00 0.00 177.10 176.70 1jww n PRO 49 N 2.79 3.15 0.00 3.55 -0.04 -1.26 -3.93 135.00 139.25 1jww n PRO 49 Ca -0.13 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1jww n PRO 49 Cb 0.52 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 3.06 0.01 -0.03 0.54 -0.00 -1.26 -4.90 118.16 115.58 1jww n LYS 50 Ca 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.94 1jww n LYS 50 Cb 0.47 -0.54 -0.13 0.00 -0.00 0.00 0.00 35.03 34.83 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 -1.53 0.65 -3.99 -1.58 4.07 -1.25 -5.01 120.64 112.00 1jww n GLU 51 Ca 0.00 0.08 -0.10 0.00 -0.06 0.00 0.00 57.16 57.08 1jww n GLU 51 Cb 0.04 -1.66 -0.04 0.00 -0.06 0.00 0.00 31.44 29.72 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jww s ALA 52 N -2.85 -0.13 0.28 4.31 0.00 -1.25 -4.76 121.76 117.36 1jww s ALA 52 Ca -0.06 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1jww s ALA 52 Cb 0.09 1.02 -0.06 0.00 0.00 0.00 0.00 23.12 24.17 1jww s ALA 52 CO 0.84 -0.87 0.07 -1.54 0.00 0.00 0.00 175.76 174.25 1jww s SER 53 N -3.07 1.72 0.28 0.00 1.04 -1.26 -4.28 113.70 108.13 1jww s SER 53 Ca 0.23 -1.36 0.01 0.00 0.48 0.00 0.00 55.95 55.31 1jww s SER 53 Cb -0.02 0.05 0.63 0.00 0.10 0.00 0.00 66.02 66.79 1jww s SER 53 CO 0.12 -0.65 1.70 -0.37 0.98 0.00 0.00 173.24 175.02 1jww h VAL 54 N 2.30 0.51 -0.61 5.02 -1.51 -1.99 -0.75 116.25 119.21 1jww h VAL 54 Ca -0.39 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 1jww h VAL 54 Cb 1.24 0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1jww h VAL 54 CO 0.65 0.07 0.36 0.77 -1.23 0.00 0.00 177.57 178.18 1jww h SER 55 N 0.39 0.74 0.38 4.19 4.64 -1.99 -0.29 113.55 121.61 1jww h SER 55 Ca 0.51 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 1jww h SER 55 Cb 0.92 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1jww h SER 55 CO -0.51 0.58 -0.18 0.44 -0.87 0.00 0.00 176.83 176.29 1jww h ASP 56 N 0.85 -0.43 -0.77 4.97 3.32 -1.63 -3.18 116.42 119.55 1jww h ASP 56 Ca 0.22 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1jww h ASP 56 Cb -0.01 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1jww h ASP 56 CO -0.04 -0.05 0.50 0.17 -1.72 0.00 0.00 179.24 178.10 1jww h LEU 57 N -1.02 0.89 -1.24 1.55 8.10 -1.04 0.17 115.31 122.73 1jww h LEU 57 Ca -0.05 -0.03 0.20 0.00 0.11 0.00 0.00 57.88 58.11 1jww h LEU 57 Cb 0.39 -0.22 -0.09 0.00 -0.44 0.00 0.00 40.66 40.30 1jww h LEU 57 CO 0.09 0.66 0.62 0.07 -4.11 0.00 0.00 178.44 175.76 1jww h LYS 58 N 1.04 0.57 -0.99 0.17 5.09 -1.21 0.18 116.57 121.43 1jww h LYS 58 Ca 0.28 -0.03 0.19 0.00 0.09 0.00 0.00 60.65 61.17 1jww h LYS 58 Cb -0.10 -0.13 -0.10 0.00 0.10 0.00 0.00 32.23 32.00 1jww h LYS 58 CO -0.06 0.38 0.61 1.49 -2.09 0.00 0.00 179.45 179.79 1jww h GLU 59 N 0.59 0.70 -0.34 0.07 4.22 -0.63 0.22 114.58 119.41 1jww h GLU 59 Ca 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.93 1jww h GLU 59 Cb 1.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1jww h GLU 59 CO -0.29 0.46 0.17 0.00 -2.18 0.00 0.00 179.01 177.16 1jww h ALA 60 N 1.63 0.43 -0.24 2.92 0.00 -0.57 1.00 119.26 124.43 1jww h ALA 60 Ca 0.56 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1jww h ALA 60 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jww h ALA 60 CO -0.34 -0.01 -0.03 0.28 0.00 0.00 0.00 179.25 179.15 1jww h VAL 61 N 0.41 1.27 -0.30 0.00 2.07 -1.33 -2.93 116.25 115.44 1jww h VAL 61 Ca 0.12 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.72 1jww h VAL 61 Cb 0.10 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1jww h VAL 61 CO -0.02 0.30 -0.30 -0.78 0.02 0.00 0.00 177.57 176.80 1jww h ASP 62 N 0.19 -0.97 -0.60 0.57 1.82 -0.00 0.35 116.42 117.78 1jww h ASP 62 Ca 0.06 0.17 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 1jww h ASP 62 Cb 0.46 0.45 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1jww h ASP 62 CO 0.02 -0.32 0.40 0.50 -1.61 0.00 0.00 179.24 178.23 1jww h LYS 63 N -0.28 0.56 -0.68 0.28 1.63 -0.88 0.38 116.57 117.58 1jww h LYS 63 Ca 0.15 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.02 1jww h LYS 63 Cb 0.52 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1jww h LYS 63 CO -0.45 0.37 0.45 1.25 -3.45 0.00 0.00 179.45 177.62 1jww h LEU 64 N 0.58 0.44 0.00 5.20 7.12 -0.73 -3.46 115.31 124.45 1jww h LEU 64 Ca 0.26 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.28 1jww h LEU 64 Cb 0.29 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1jww h LEU 64 CO -0.08 0.26 0.00 0.61 -0.13 0.00 0.00 178.44 179.10 1jww n GLY 65 N -1.50 1.30 3.50 3.75 0.00 0.12 -5.12 105.19 107.24 1jww n GLY 65 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.40 2.53 0.26 1.61 1.13 -1.24 -5.04 117.35 115.19 1jww s TYR 66 Ca 0.00 -0.27 -0.01 0.00 -1.41 0.00 0.00 57.07 55.39 1jww s TYR 66 Cb 0.00 -1.31 -0.04 0.00 -1.10 0.00 0.00 41.96 39.51 1jww s TYR 66 CO 0.00 0.43 0.46 0.21 -2.51 0.00 0.00 175.55 174.14 1jww s LYS 67 N -2.35 3.53 0.08 -3.49 2.20 -1.21 -3.06 119.74 115.44 1jww s LYS 67 Ca 0.20 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 1jww s LYS 67 Cb -0.10 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1jww s LYS 67 CO 0.11 0.30 -0.16 -1.17 -0.36 0.00 0.00 175.35 174.07 1jww s LEU 68 N -3.68 2.30 -0.01 5.43 2.96 -1.26 -2.62 118.68 121.80 1jww s LEU 68 Ca 0.40 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 53.43 1jww s LEU 68 Cb -0.10 -0.62 0.05 0.00 0.50 0.00 0.00 46.19 46.01 1jww s LEU 68 CO 0.31 -0.04 0.50 -0.75 -1.32 0.00 0.00 176.35 175.04 1jww s LYS 69 N -1.87 0.92 0.74 1.98 2.47 -1.23 -4.95 119.74 117.79 1jww s LYS 69 Ca 0.01 -0.06 -0.14 0.00 -1.56 0.00 0.00 55.97 54.22 1jww s LYS 69 Cb -0.10 0.42 0.05 0.00 -1.46 0.00 0.00 37.83 36.74 1jww s LYS 69 CO 0.03 -0.29 1.20 -1.17 0.16 0.00 0.00 175.35 175.27 1jww s LEU 70 N -1.50 3.27 -0.00 5.43 2.96 -1.26 -0.20 118.68 127.38 1jww s LEU 70 Ca -0.10 2.31 -0.02 0.00 -0.22 0.00 0.00 54.13 56.10 1jww s LEU 70 Cb -0.02 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.07 1jww s LEU 70 CO 0.04 -2.30 -0.05 1.17 -1.32 0.00 0.00 176.35 173.89 1jww n LYS 71 N -2.85 0.08 0.00 1.98 4.81 0.91 -4.60 118.16 118.49 1jww n LYS 71 Ca 0.13 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1jww n LYS 71 Cb 0.50 -0.63 0.00 0.00 0.02 0.00 0.00 35.03 34.92 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 2.92 -1.89 3.57 3.14 0.00 -0.94 -5.00 105.19 106.98 1jww n GLY 72 Ca -0.06 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 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 1.41 -0.17 1.61 -1.05 -1.26 -2.50 118.70 116.74 1jww s GLU 73 Ca 0.00 -0.62 -0.25 0.00 -0.15 0.00 0.00 54.97 53.95 1jww s GLU 73 Cb 0.00 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 1jww s GLU 73 CO 0.00 -0.63 0.81 1.14 0.95 0.00 0.00 175.26 177.53 1jww s GLN 74 N -3.75 4.30 -0.34 -4.83 -2.07 -1.26 -4.53 119.66 107.17 1jww s GLN 74 Ca 0.05 0.98 -0.22 0.00 -1.82 0.00 0.00 55.36 54.34 1jww s GLN 74 Cb -0.03 -3.57 0.03 0.00 -1.09 0.00 0.00 33.01 28.36 1jww s GLN 74 CO -0.06 -0.30 0.45 -3.47 -1.32 0.00 0.00 175.29 170.59 1jww n ASP 75 N 5.15 -6.52 -3.52 12.60 2.03 -1.26 -4.72 116.55 120.31 1jww n ASP 75 Ca 0.04 0.27 -0.45 0.00 0.52 0.00 0.00 54.79 55.17 1jww n ASP 75 Cb 0.49 -2.85 -0.11 0.00 -0.72 0.00 0.00 41.12 37.93 1jww n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1jww n SER 76 N 0.18 1.17 -3.82 1.67 7.64 -1.26 -4.83 113.62 114.36 1jww n SER 76 Ca -0.01 -2.52 -0.42 0.00 1.01 0.00 0.00 58.87 56.93 1jww n SER 76 Cb 0.53 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1jww n SER 76 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1jww n ILE 77 N 6.90 2.61 0.00 0.44 -5.35 -1.26 -4.63 119.36 118.07 1jww n ILE 77 Ca 0.47 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 1jww n ILE 77 Cb 0.42 -2.42 0.00 0.00 -1.74 0.00 0.00 39.64 35.90 1jww n ILE 77 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jww n GLU 78 N 6.88 0.00 0.00 6.28 2.13 -1.26 -4.94 120.64 129.73 1jww n GLU 78 Ca 0.50 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.79 1jww n GLU 78 Cb 0.41 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jww n GLY 79 N 1.94 1.85 0.00 8.31 0.00 -1.26 -5.34 105.19 110.69 1jww n GLY 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19