#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 2.69 0.65 2.52 -4.23 -1.26 -4.57 115.64 111.44 1jww s THR 2 Ca 0.00 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1jww s THR 2 Cb 0.00 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1jww s THR 2 CO 0.00 0.55 1.01 -0.70 -0.54 0.00 0.00 174.62 174.94 1jww s GLU 3 N 0.11 2.95 -0.01 3.99 2.12 0.75 -4.80 118.70 123.81 1jww s GLU 3 Ca -0.08 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1jww s GLU 3 Cb -0.15 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1jww s GLU 3 CO 0.05 -0.85 0.05 0.15 -0.54 0.00 0.00 175.26 174.12 1jww s LYS 4 N -5.19 2.97 -0.11 4.30 3.01 -1.26 -1.47 119.74 121.99 1jww s LYS 4 Ca 0.56 -0.52 -0.10 0.00 -1.01 0.00 0.00 55.97 54.90 1jww s LYS 4 Cb -0.11 -2.80 0.03 0.00 -1.01 0.00 0.00 37.83 33.95 1jww s LYS 4 CO 0.49 0.65 0.30 0.00 0.51 0.00 0.00 175.35 177.29 1jww s ALA 5 N -1.13 -0.73 0.10 5.17 0.00 0.54 -4.61 121.76 121.10 1jww s ALA 5 Ca 0.21 0.86 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1jww s ALA 5 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1jww s ALA 5 CO 0.12 -0.15 -0.26 -1.21 0.00 0.00 0.00 175.76 174.26 1jww s GLU 6 N 0.25 1.48 0.01 0.00 2.02 -1.26 -0.41 118.70 120.79 1jww s GLU 6 Ca -0.01 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1jww s GLU 6 Cb -0.03 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 1jww s GLU 6 CO -0.00 0.45 -0.02 -0.06 0.02 0.00 0.00 175.26 175.64 1jww s PHE 7 N -0.99 0.21 -0.17 1.61 0.40 0.52 -0.16 117.98 119.40 1jww s PHE 7 Ca 0.12 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1jww s PHE 7 Cb -0.10 -0.14 -0.02 0.00 0.51 0.00 0.00 43.02 43.27 1jww s PHE 7 CO 0.05 -0.07 -0.04 0.34 0.70 0.00 0.00 175.22 176.19 1jww s ASP 8 N -0.64 4.61 -0.11 1.36 -1.08 0.41 -0.91 116.67 120.32 1jww s ASP 8 Ca -0.06 -0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 51.73 1jww s ASP 8 Cb -0.04 -1.76 -0.03 0.00 -1.46 0.00 0.00 42.92 39.62 1jww s ASP 8 CO -0.00 0.12 -0.00 -0.63 0.52 0.00 0.00 175.17 175.17 1jww s ILE 9 N 0.66 4.24 -0.47 4.11 -1.09 -0.94 -3.31 121.20 124.40 1jww s ILE 9 Ca -0.03 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 1jww s ILE 9 Cb -0.15 -2.80 0.13 0.00 -1.58 0.00 0.00 42.46 38.06 1jww s ILE 9 CO 0.02 0.57 0.23 -1.61 -1.23 0.00 0.00 174.94 172.92 1jww s GLU 10 N -0.53 1.67 0.00 2.79 0.41 -1.22 -4.82 118.70 117.00 1jww s GLU 10 Ca 0.09 -2.31 0.00 0.00 -0.41 0.00 0.00 54.97 52.34 1jww s GLU 10 Cb -0.12 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 1jww s GLU 10 CO 0.02 -1.10 0.00 0.41 -0.49 0.00 0.00 175.26 174.10 1jww n GLY 11 N 3.42 0.96 3.82 -1.39 0.00 -1.26 -3.69 105.19 107.04 1jww n GLY 11 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 0.09 2.99 0.00 1.61 0.23 -1.26 -4.72 119.30 118.25 1jww s MET 12 Ca 0.00 -0.77 0.24 0.00 -1.03 0.00 0.00 55.69 54.13 1jww s MET 12 Cb 0.00 -2.73 0.23 0.00 -1.53 0.00 0.00 34.83 30.80 1jww s MET 12 CO 0.00 0.51 1.24 -2.37 -2.03 0.00 0.00 175.02 172.38 1jww n THR 13 N -0.16 0.00 -0.58 3.16 5.66 -1.26 -5.08 114.28 116.02 1jww n THR 13 Ca -0.08 -0.25 0.07 0.00 -3.05 0.00 0.00 64.05 60.75 1jww n THR 13 Cb 0.54 1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 70.34 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 -1.46 0.00 -0.18 0.00 0.00 -1.26 -0.86 120.51 116.75 1jww n ALA 15 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jww n ALA 15 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.51 0.66 0.42 0.00 0.00 -1.98 0.88 119.26 118.73 1jww h ALA 16 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jww h ALA 16 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jww h ALA 16 CO 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 179.25 179.41 1jww h ALA 18 N -0.34 0.69 -0.76 0.00 0.00 -1.66 0.12 119.26 117.31 1jww h ALA 18 Ca -0.06 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jww h ALA 18 Cb 0.54 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1jww h ALA 18 CO 0.10 -0.42 0.40 -0.91 0.00 0.00 0.00 179.25 178.41 1jww h ASN 19 N 0.07 0.97 -0.87 0.00 2.35 -0.51 -1.98 115.58 115.61 1jww h ASN 19 Ca 0.39 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1jww h ASN 19 Cb 0.67 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1jww h ASN 19 CO -0.69 0.81 0.54 0.03 -1.65 0.00 0.00 177.43 176.47 1jww h ARG 20 N 1.06 1.17 -0.17 0.81 2.47 0.16 -0.47 114.38 119.42 1jww h ARG 20 Ca 0.27 -0.10 0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1jww h ARG 20 Cb 0.07 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.08 1jww h ARG 20 CO -0.04 0.81 -0.41 0.82 0.56 0.00 0.00 179.97 181.71 1jww h ILE 21 N 1.19 0.00 -0.81 2.04 1.08 -0.17 -0.37 117.51 120.46 1jww h ILE 21 Ca 0.31 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.92 1jww h ILE 21 Cb -0.07 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.62 1jww h ILE 21 CO -0.06 0.00 0.53 -0.33 -0.69 0.00 0.00 178.15 177.60 1jww h GLU 22 N -0.39 0.56 0.24 2.37 5.08 -0.76 0.19 114.58 121.88 1jww h GLU 22 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jww h GLU 22 Cb 0.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jww h GLU 22 CO -0.37 0.37 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.68 1jww h LYS 23 N 0.58 -0.31 -0.39 2.33 1.63 -0.49 0.33 116.57 120.24 1jww h LYS 23 Ca 0.40 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.17 1jww h LYS 23 Cb 0.72 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.41 1jww h LYS 23 CO -0.16 0.01 0.01 -0.09 -3.45 0.00 0.00 179.45 175.77 1jww h ARG 24 N -0.66 0.62 -0.08 1.90 9.65 -0.25 -2.10 114.38 123.46 1jww h ARG 24 Ca -0.03 -0.14 -0.12 0.00 -1.10 0.00 0.00 59.98 58.59 1jww h ARG 24 Cb 0.46 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1jww h ARG 24 CO 0.05 0.63 -0.40 -0.07 2.80 0.00 0.00 179.97 182.99 1jww h LEU 25 N 0.59 0.49 -1.87 3.80 3.38 -0.64 -2.98 115.31 118.08 1jww h LEU 25 Ca 0.12 -0.65 0.25 0.00 0.09 0.00 0.00 57.88 57.69 1jww h LEU 25 Cb 0.36 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1jww h LEU 25 CO 0.01 1.06 0.63 -1.13 0.09 0.00 0.00 178.44 179.10 1jww h ASN 26 N -0.05 0.10 -0.42 -0.43 -1.24 -0.19 0.12 115.58 113.47 1jww h ASN 26 Ca -0.03 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1jww h ASN 26 Cb 1.06 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.08 1jww h ASN 26 CO 0.08 0.04 0.24 0.50 -1.29 0.00 0.00 177.43 177.00 1jww h LYS 27 N 0.10 0.60 -6.57 6.67 3.11 -1.21 -3.43 116.57 115.83 1jww h LYS 27 Ca 0.44 -0.05 -0.58 0.00 -2.81 0.00 0.00 60.65 57.64 1jww h LYS 27 Cb 1.57 -0.13 0.08 0.00 -1.00 0.00 0.00 32.23 32.75 1jww h LYS 27 CO -0.05 0.44 0.67 -0.89 -2.81 0.00 0.00 179.45 176.81 1jww n ILE 28 N -4.43 0.67 -0.03 2.00 2.08 0.41 -4.94 119.36 115.12 1jww n ILE 28 Ca 0.03 -0.17 -0.15 0.00 0.56 0.00 0.00 62.75 63.03 1jww n ILE 28 Cb 0.09 -1.50 -0.10 0.00 -0.75 0.00 0.00 39.64 37.38 1jww n ILE 28 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1jww h GLU 29 N 4.72 0.24 -1.61 0.38 3.07 -1.86 -3.23 114.58 116.28 1jww h GLU 29 Ca -0.45 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.15 1jww h GLU 29 Cb 1.27 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 1jww h GLU 29 CO 0.80 0.86 0.08 0.41 -1.40 0.00 0.00 179.01 179.76 1jww n GLY 30 N 0.76 2.65 3.87 -3.84 0.00 -1.26 -4.85 105.19 102.52 1jww n GLY 30 Ca -0.09 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.43 5.13 -0.09 1.61 0.11 -1.22 -0.36 120.40 125.15 1jww s VAL 31 Ca 0.06 -0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 58.52 1jww s VAL 31 Cb 0.05 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1jww s VAL 31 CO 0.00 0.15 -0.21 0.00 -3.33 0.00 0.00 175.10 171.71 1jww n ALA 32 N 0.38 1.79 -3.29 1.54 0.00 -0.49 -4.94 120.51 115.50 1jww n ALA 32 Ca -0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 1jww n ALA 32 Cb 0.51 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 -6.06 -0.18 -0.50 0.00 4.22 -0.95 -5.05 114.94 106.42 1jww s ASN 33 Ca -0.18 -0.68 0.06 0.00 -2.14 0.00 0.00 52.86 49.92 1jww s ASN 33 Cb 0.04 0.59 0.20 0.00 1.28 0.00 0.00 41.25 43.36 1jww s ASN 33 CO 0.26 -1.11 0.72 0.00 -2.04 0.00 0.00 177.10 174.93 1jww n ALA 34 N -0.36 -1.08 -1.43 3.54 0.00 -1.26 -0.49 120.51 119.42 1jww n ALA 34 Ca -0.06 -1.44 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 1jww n ALA 34 Cb 0.62 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 2.54 2.23 -1.23 0.00 -0.04 -1.10 -4.85 135.00 132.56 1jww n PRO 35 Ca 0.17 -2.22 -0.32 0.00 -0.04 0.00 0.00 63.50 61.09 1jww n PRO 35 Cb 0.57 -3.09 0.11 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.00 2.60 0.24 0.52 -7.23 -1.24 -4.39 120.40 114.92 1jww s VAL 36 Ca 0.52 0.24 0.06 0.00 -1.81 0.00 0.00 61.98 60.99 1jww s VAL 36 Cb 0.14 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1jww s VAL 36 CO 0.01 -0.21 0.29 0.54 -0.31 0.00 0.00 175.10 175.42 1jww s ASN 37 N -2.60 6.00 -0.47 4.85 2.20 -0.83 -4.91 114.94 119.18 1jww s ASN 37 Ca 0.68 -0.06 0.09 0.00 -0.94 0.00 0.00 52.86 52.63 1jww s ASN 37 Cb -0.23 -1.68 0.35 0.00 -2.00 0.00 0.00 41.25 37.69 1jww s ASN 37 CO 0.51 -0.06 0.86 2.22 -2.94 0.00 0.00 177.10 177.69 1jww n PHE 38 N -1.30 2.18 0.00 1.54 -1.74 -1.26 -4.60 117.46 112.28 1jww n PHE 38 Ca -0.09 -3.84 0.00 0.00 -0.56 0.00 0.00 57.45 52.97 1jww n PHE 38 Cb 0.57 -0.44 0.00 0.00 1.52 0.00 0.00 39.48 41.14 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 -0.01 0.00 1.21 1.98 0.00 -1.26 -4.56 120.51 117.87 1jww n ALA 39 Ca 0.28 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.86 1jww n ALA 39 Cb 0.54 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.61 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 0.14 -2.51 0.00 4.77 -1.26 -4.92 117.00 113.21 1jww n LEU 40 Ca 0.00 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1jww n LEU 40 Cb 0.00 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1jww n LEU 40 CO 0.00 0.03 0.15 -0.62 -1.33 0.00 0.00 177.39 175.62 1jww n GLU 41 N -1.34 -5.07 -4.09 3.23 1.02 -1.26 -5.01 120.64 108.12 1jww n GLU 41 Ca 0.10 0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 57.64 1jww n GLU 41 Cb 0.30 -4.69 -0.14 0.00 -0.02 0.00 0.00 31.44 26.88 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 -3.21 0.33 -0.07 2.62 -4.23 -1.26 -2.21 115.64 107.61 1jww s THR 42 Ca 0.33 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1jww s THR 42 Cb -0.15 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 73.37 1jww s THR 42 CO 0.47 0.05 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.83 1jww s VAL 43 N -0.21 3.60 -0.14 2.29 1.01 -0.08 -1.97 120.40 124.91 1jww s VAL 43 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1jww s VAL 43 Cb -0.02 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1jww s VAL 43 CO -0.00 0.59 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 1jww s THR 44 N -0.68 1.60 0.03 3.92 2.01 -1.26 -0.36 115.64 120.90 1jww s THR 44 Ca 0.10 -0.66 0.09 0.00 0.31 0.00 0.00 61.69 61.53 1jww s THR 44 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1jww s THR 44 CO 0.02 0.46 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.45 1jww s VAL 45 N 1.33 2.12 -0.40 3.82 1.01 0.46 -2.70 120.40 126.04 1jww s VAL 45 Ca 0.02 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1jww s VAL 45 Cb -0.13 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.55 1jww s VAL 45 CO -0.08 0.41 0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1jww s GLU 46 N -1.12 1.60 0.08 2.72 2.02 0.35 -0.34 118.70 124.03 1jww s GLU 46 Ca 0.11 -2.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.01 1jww s GLU 46 Cb -0.10 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1jww s GLU 46 CO 0.01 -1.00 -0.01 1.52 0.02 0.00 0.00 175.26 175.81 1jww s TYR 47 N 0.54 0.69 -0.22 1.61 1.13 -0.54 -1.39 117.35 119.16 1jww s TYR 47 Ca 0.13 -1.10 -0.17 0.00 -1.41 0.00 0.00 57.07 54.52 1jww s TYR 47 Cb -0.21 -0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 40.17 1jww s TYR 47 CO -0.06 -0.39 0.44 0.54 -2.51 0.00 0.00 175.55 173.57 1jww s ASN 48 N -2.98 6.44 -1.14 -0.18 2.20 0.52 -0.18 114.94 119.62 1jww s ASN 48 Ca 0.13 0.52 -0.15 0.00 -0.94 0.00 0.00 52.86 52.41 1jww s ASN 48 Cb 0.07 -2.25 -0.06 0.00 -2.00 0.00 0.00 41.25 37.01 1jww s ASN 48 CO -0.05 -0.14 2.19 -0.81 -2.94 0.00 0.00 177.10 175.34 1jww n PRO 49 N 4.82 2.33 0.00 3.55 -0.04 -1.26 -3.60 135.00 140.80 1jww n PRO 49 Ca -0.07 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1jww n PRO 49 Cb 0.51 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.86 0.00 -0.04 0.54 3.00 -1.26 -4.94 118.16 121.31 1jww n LYS 50 Ca 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.83 1jww n LYS 50 Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 35.03 35.33 1jww n LYS 50 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jww h GLU 51 N 0.00 0.00 -6.01 1.64 4.22 -1.90 -3.49 114.58 109.04 1jww h GLU 51 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 1jww h GLU 51 Cb 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1jww h GLU 51 CO 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 179.01 176.42 1jww s ALA 52 N -2.70 3.95 0.47 2.92 0.00 -1.26 -4.95 121.76 120.21 1jww s ALA 52 Ca -0.03 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.12 1jww s ALA 52 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1jww s ALA 52 CO 0.04 -0.25 0.08 -1.54 0.00 0.00 0.00 175.76 174.09 1jww s SER 53 N -4.07 3.52 0.36 0.00 1.04 -1.26 -4.30 113.70 108.98 1jww s SER 53 Ca 0.42 -1.72 0.12 0.00 0.48 0.00 0.00 55.95 55.25 1jww s SER 53 Cb -0.00 0.63 0.90 0.00 0.10 0.00 0.00 66.02 67.65 1jww s SER 53 CO 0.24 -0.95 1.81 -0.37 0.98 0.00 0.00 173.24 174.95 1jww h VAL 54 N 1.51 0.68 -0.35 5.02 -1.51 -2.00 -2.77 116.25 116.82 1jww h VAL 54 Ca -0.39 -0.20 -0.16 0.00 -1.23 0.00 0.00 66.70 64.72 1jww h VAL 54 Cb 1.30 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1jww h VAL 54 CO 0.63 0.11 -0.40 -1.28 -1.23 0.00 0.00 177.57 175.40 1jww h SER 55 N 0.60 0.93 0.26 4.19 0.87 -1.98 -0.94 113.55 117.49 1jww h SER 55 Ca 0.54 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1jww h SER 55 Cb 1.06 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1jww h SER 55 CO -0.29 1.21 -0.13 0.44 -0.53 0.00 0.00 176.83 177.53 1jww h ASP 56 N 0.71 -0.30 -0.43 6.23 5.19 -1.89 0.37 116.42 126.30 1jww h ASP 56 Ca 0.05 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 1jww h ASP 56 Cb 0.98 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1jww h ASP 56 CO 0.09 -0.21 -0.02 0.17 -3.12 0.00 0.00 179.24 176.15 1jww h LEU 57 N -0.35 0.75 -0.71 1.55 8.10 -1.58 0.88 115.31 123.96 1jww h LEU 57 Ca -0.04 -0.32 0.14 0.00 0.11 0.00 0.00 57.88 57.78 1jww h LEU 57 Cb 0.27 -0.20 -0.13 0.00 -0.44 0.00 0.00 40.66 40.15 1jww h LEU 57 CO 0.06 0.89 -0.19 0.50 -4.11 0.00 0.00 178.44 175.59 1jww h LYS 58 N 0.60 -0.01 -0.60 0.17 3.64 -0.96 -0.29 116.57 119.12 1jww h LYS 58 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1jww h LYS 58 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1jww h LYS 58 CO 0.03 -0.01 0.37 1.49 -2.27 0.00 0.00 179.45 179.06 1jww h GLU 59 N -0.01 0.81 -0.21 1.90 4.22 0.87 0.26 114.58 122.42 1jww h GLU 59 Ca 0.34 -0.07 0.05 0.00 0.08 0.00 0.00 59.36 59.76 1jww h GLU 59 Cb 0.53 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1jww h GLU 59 CO -0.73 0.57 -0.18 0.00 -2.18 0.00 0.00 179.01 176.49 1jww h ALA 60 N 1.19 -0.05 -0.49 2.92 0.00 0.02 0.11 119.26 122.96 1jww h ALA 60 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1jww h ALA 60 Cb -0.03 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jww h ALA 60 CO -0.04 -0.61 0.14 0.28 0.00 0.00 0.00 179.25 179.02 1jww h VAL 61 N -0.19 1.23 -0.28 0.00 2.07 -0.75 -2.53 116.25 115.81 1jww h VAL 61 Ca 0.12 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1jww h VAL 61 Cb 0.37 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1jww h VAL 61 CO -0.32 0.29 -0.17 -0.78 0.02 0.00 0.00 177.57 176.61 1jww h ASP 62 N 0.66 -0.57 -0.28 0.57 1.82 0.41 0.50 116.42 119.53 1jww h ASP 62 Ca 0.16 0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.98 1jww h ASP 62 Cb 0.29 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1jww h ASP 62 CO -0.00 -0.21 0.20 0.50 -1.61 0.00 0.00 179.24 178.12 1jww h LYS 63 N -0.15 0.11 -0.03 0.28 1.63 -0.78 0.79 116.57 118.43 1jww h LYS 63 Ca 0.15 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1jww h LYS 63 Cb 0.37 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1jww h LYS 63 CO -0.37 0.07 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.58 1jww h LEU 64 N 0.11 0.04 0.00 5.20 4.07 -0.45 -3.47 115.31 120.82 1jww h LEU 64 Ca 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1jww h LEU 64 Cb 0.38 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1jww h LEU 64 CO -0.01 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.06 1jww n GLY 65 N -1.31 4.14 3.95 0.83 0.00 0.27 -5.11 105.19 107.96 1jww n GLY 65 Ca -0.02 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 3.48 0.57 1.61 -0.85 -1.25 -4.96 117.35 115.94 1jww s TYR 66 Ca 0.00 0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.62 1jww s TYR 66 Cb 0.00 -1.67 0.01 0.00 0.38 0.00 0.00 41.96 40.68 1jww s TYR 66 CO 0.00 0.47 0.86 0.15 -1.52 0.00 0.00 175.55 175.51 1jww s LYS 67 N -3.45 2.88 0.04 -3.49 1.02 -1.24 -3.43 119.74 112.07 1jww s LYS 67 Ca 0.35 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.20 1jww s LYS 67 Cb -0.11 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1jww s LYS 67 CO 0.29 -0.65 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.82 1jww s LEU 68 N -4.91 2.24 0.03 3.17 2.96 -1.26 -3.44 118.68 117.47 1jww s LEU 68 Ca 0.53 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.78 1jww s LEU 68 Cb -0.10 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.44 1jww s LEU 68 CO 0.43 -0.19 0.29 -0.54 -1.32 0.00 0.00 176.35 175.02 1jww s LYS 69 N -1.50 0.75 0.85 1.98 -0.14 -1.21 -4.95 119.74 115.53 1jww s LYS 69 Ca -0.09 -0.42 -0.11 0.00 -1.36 0.00 0.00 55.97 53.98 1jww s LYS 69 Cb -0.10 0.33 0.11 0.00 -1.68 0.00 0.00 37.83 36.49 1jww s LYS 69 CO 0.00 -0.23 1.16 -1.17 -0.76 0.00 0.00 175.35 174.35 1jww s LEU 70 N -1.84 2.99 0.00 3.17 2.96 -1.26 -0.44 118.68 124.25 1jww s LEU 70 Ca -0.08 2.19 -0.00 0.00 -0.22 0.00 0.00 54.13 56.02 1jww s LEU 70 Cb -0.02 -4.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.10 1jww s LEU 70 CO -0.01 -2.77 -0.00 1.17 -1.32 0.00 0.00 176.35 173.42 1jww n LYS 71 N -3.77 0.00 0.00 1.98 4.81 0.77 -4.55 118.16 117.41 1jww n LYS 71 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1jww n LYS 71 Cb 0.52 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.43 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 2.98 0.00 0.88 3.14 0.00 -1.24 -5.04 105.19 105.91 1jww n GLY 72 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1jww n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jww n GLU 73 N 0.00 -2.13 -2.00 1.61 1.02 -1.26 -4.87 120.64 113.02 1jww n GLU 73 Ca 0.00 1.71 -0.39 0.00 -0.02 0.00 0.00 57.16 58.46 1jww n GLU 73 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1jww n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jww s GLN 74 N -4.11 3.88 -1.05 3.49 -0.21 -1.26 -4.61 119.66 115.79 1jww s GLN 74 Ca 0.00 2.21 -0.20 0.00 0.02 0.00 0.00 55.36 57.39 1jww s GLN 74 Cb 0.00 -2.71 -0.08 0.00 1.00 0.00 0.00 33.01 31.22 1jww s GLN 74 CO 0.00 -0.58 1.98 -3.47 -2.12 0.00 0.00 175.29 171.10 1jww n ASP 75 N 0.02 3.16 -4.54 5.90 -0.08 -1.26 -4.89 116.55 114.85 1jww n ASP 75 Ca 0.04 -2.74 -0.26 0.00 -1.51 0.00 0.00 54.79 50.32 1jww n ASP 75 Cb 0.43 -1.40 -0.09 0.00 2.34 0.00 0.00 41.12 42.39 1jww n ASP 75 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1jww s SER 76 N 4.74 4.05 0.00 1.67 0.01 -1.26 -5.14 113.70 117.76 1jww s SER 76 Ca 0.56 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1jww s SER 76 Cb 0.11 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1jww s SER 76 CO 0.07 0.08 0.00 -0.38 0.41 0.00 0.00 173.24 173.42 1jww n ILE 77 N -0.19 0.00 -1.43 1.44 5.41 -1.26 -5.10 119.36 118.22 1jww n ILE 77 Ca -0.09 0.00 0.19 0.00 1.00 0.00 0.00 62.75 63.85 1jww n ILE 77 Cb 0.57 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.45 1jww n ILE 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1jww n GLU 78 N 0.00 -2.89 0.00 0.38 1.02 -1.26 -5.07 120.64 112.82 1jww n GLU 78 Ca 0.00 1.92 0.00 0.00 -0.02 0.00 0.00 57.16 59.06 1jww n GLU 78 Cb 0.00 -3.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.89 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jww n GLY 79 N -4.22 -1.97 0.20 0.62 0.00 -1.26 -5.33 105.19 93.23 1jww n GLY 79 Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 46.02 46.70 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19