#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 1.86 0.12 2.52 -4.23 -1.26 -4.58 115.64 110.06 1jww s THR 2 Ca 0.00 -2.22 0.09 0.00 -1.18 0.00 0.00 61.69 58.38 1jww s THR 2 Cb 0.00 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1jww s THR 2 CO 0.00 -0.54 -0.21 -0.70 -0.54 0.00 0.00 174.62 172.63 1jww s GLU 3 N -3.55 1.19 0.04 3.99 2.12 0.58 -4.90 118.70 118.18 1jww s GLU 3 Ca 0.23 -1.24 -0.12 0.00 0.36 0.00 0.00 54.97 54.20 1jww s GLU 3 Cb -0.02 -1.43 -0.06 0.00 0.26 0.00 0.00 34.13 32.88 1jww s GLU 3 CO 0.08 0.32 0.41 0.15 -0.54 0.00 0.00 175.26 175.68 1jww s LYS 4 N -2.12 3.84 -0.10 4.30 3.01 -1.26 -1.05 119.74 126.35 1jww s LYS 4 Ca 0.09 0.29 -0.10 0.00 -1.01 0.00 0.00 55.97 55.24 1jww s LYS 4 Cb -0.09 -3.10 0.03 0.00 -1.01 0.00 0.00 37.83 33.66 1jww s LYS 4 CO 0.05 0.62 0.29 0.00 0.51 0.00 0.00 175.35 176.82 1jww s ALA 5 N -1.25 -0.72 0.10 5.17 0.00 0.22 -4.65 121.76 120.63 1jww s ALA 5 Ca 0.29 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.11 1jww s ALA 5 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1jww s ALA 5 CO 0.16 -0.15 -0.22 -1.21 0.00 0.00 0.00 175.76 174.34 1jww s GLU 6 N 0.01 1.69 0.02 0.00 0.41 -1.20 -0.56 118.70 119.07 1jww s GLU 6 Ca -0.01 -1.21 0.03 0.00 -0.41 0.00 0.00 54.97 53.37 1jww s GLU 6 Cb -0.02 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 1jww s GLU 6 CO 0.01 0.48 -0.08 -0.06 -0.49 0.00 0.00 175.26 175.12 1jww s PHE 7 N -1.05 0.72 -0.13 1.61 0.40 0.07 -0.34 117.98 119.26 1jww s PHE 7 Ca 0.15 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1jww s PHE 7 Cb -0.10 -0.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1jww s PHE 7 CO 0.07 -0.03 -0.06 0.34 0.70 0.00 0.00 175.22 176.25 1jww s ASP 8 N -0.81 4.67 0.01 1.36 -1.08 0.60 -1.04 116.67 120.39 1jww s ASP 8 Ca -0.02 -0.12 0.05 0.00 -0.52 0.00 0.00 52.55 51.94 1jww s ASP 8 Cb -0.06 -1.62 -0.03 0.00 -1.46 0.00 0.00 42.92 39.75 1jww s ASP 8 CO 0.00 0.22 -0.12 -0.63 0.52 0.00 0.00 175.17 175.16 1jww s ILE 9 N 0.07 3.23 -0.31 4.11 -1.09 -1.20 -3.19 121.20 122.81 1jww s ILE 9 Ca -0.01 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1jww s ILE 9 Cb -0.14 -2.37 0.10 0.00 -1.58 0.00 0.00 42.46 38.47 1jww s ILE 9 CO 0.03 0.39 0.07 -1.61 -1.23 0.00 0.00 174.94 172.60 1jww s GLU 10 N -1.35 0.95 0.00 2.79 2.02 -1.21 -4.94 118.70 116.96 1jww s GLU 10 Ca 0.15 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1jww s GLU 10 Cb -0.11 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1jww s GLU 10 CO 0.06 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.81 1jww n GLY 11 N 4.70 1.27 3.63 -1.39 0.00 -1.26 -3.55 105.19 108.58 1jww n GLY 11 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.74 -0.40 1.61 0.23 -1.26 -4.88 119.30 118.34 1jww s MET 12 Ca 0.00 1.93 0.10 0.00 -1.03 0.00 0.00 55.69 56.70 1jww s MET 12 Cb 0.00 -4.13 0.35 0.00 -1.53 0.00 0.00 34.83 29.52 1jww s MET 12 CO 0.00 -1.38 0.87 -2.37 -2.03 0.00 0.00 175.02 170.11 1jww n THR 13 N 6.48 -0.07 0.00 3.16 5.66 -1.26 -4.85 114.28 123.40 1jww n THR 13 Ca 0.21 -3.50 0.00 0.00 -3.05 0.00 0.00 64.05 57.71 1jww n THR 13 Cb 0.44 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 -1.45 0.00 -0.02 0.00 0.00 -1.26 -4.76 120.51 113.01 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 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.03 -0.52 0.00 0.00 -1.98 0.24 119.26 117.03 1jww h ALA 16 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1jww h ALA 16 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jww h ALA 16 CO 0.00 -0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.42 1jww h ALA 18 N 1.69 -0.43 -0.92 0.00 0.00 -1.87 -3.34 119.26 114.39 1jww h ALA 18 Ca 0.20 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1jww h ALA 18 Cb 0.03 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 1jww h ALA 18 CO -0.05 -0.45 0.18 -0.97 0.00 0.00 0.00 179.25 177.96 1jww h ASN 19 N -1.01 -0.16 -0.95 0.00 -1.24 -0.08 0.19 115.58 112.33 1jww h ASN 19 Ca -0.04 0.23 0.17 0.00 0.71 0.00 0.00 56.30 57.36 1jww h ASN 19 Cb 0.47 0.35 -0.08 0.00 0.73 0.00 0.00 38.32 39.79 1jww h ASN 19 CO 0.07 -0.25 0.60 -0.09 -1.29 0.00 0.00 177.43 176.47 1jww h ARG 20 N 0.11 0.69 -0.43 6.67 2.43 -1.13 0.12 114.38 122.84 1jww h ARG 20 Ca 0.59 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.73 1jww h ARG 20 Cb 1.24 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1jww h ARG 20 CO -0.76 0.46 0.26 0.82 -1.51 0.00 0.00 179.97 179.24 1jww h ILE 21 N 0.71 1.06 -0.47 1.20 1.08 -0.74 -0.02 117.51 120.33 1jww h ILE 21 Ca 0.51 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.89 1jww h ILE 21 Cb 0.83 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 34.97 1jww h ILE 21 CO -0.27 0.10 -0.14 -0.33 -0.69 0.00 0.00 178.15 176.81 1jww h GLU 22 N 0.53 -0.03 -0.11 2.37 5.08 -0.75 0.57 114.58 122.23 1jww h GLU 22 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1jww h GLU 22 Cb -0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jww h GLU 22 CO -0.07 -0.02 -0.04 -0.22 -1.00 0.00 0.00 179.01 177.66 1jww h LYS 23 N -0.03 0.22 -0.18 2.33 3.11 -1.45 0.19 116.57 120.76 1jww h LYS 23 Ca 0.23 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 58.02 1jww h LYS 23 Cb 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1jww h LYS 23 CO -0.50 0.55 0.14 0.00 -2.81 0.00 0.00 179.45 176.83 1jww h ARG 24 N -0.11 0.00 0.17 1.90 2.47 0.06 -0.53 114.38 118.34 1jww h ARG 24 Ca 0.03 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.52 1jww h ARG 24 Cb 0.48 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1jww h ARG 24 CO 0.01 0.00 -0.99 -0.07 0.56 0.00 0.00 179.97 179.48 1jww h LEU 25 N 0.00 0.57 -2.29 3.04 3.38 0.32 -3.28 115.31 117.04 1jww h LEU 25 Ca 0.08 -0.95 0.04 0.00 0.09 0.00 0.00 57.88 57.15 1jww h LEU 25 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jww h LEU 25 CO -0.00 1.48 0.19 -1.13 0.09 0.00 0.00 178.44 179.07 1jww h ASN 26 N -0.24 0.00 -0.55 -0.43 -0.73 0.38 0.36 115.58 114.37 1jww h ASN 26 Ca -0.17 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 1jww h ASN 26 Cb 1.78 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.34 1jww h ASN 26 CO 0.18 0.00 0.28 0.11 -0.37 0.00 0.00 177.43 177.63 1jww h LYS 27 N 0.00 0.82 -6.61 6.67 1.79 -1.19 -3.43 116.57 114.62 1jww h LYS 27 Ca 0.07 -0.10 -0.52 0.00 -2.18 0.00 0.00 60.65 57.91 1jww h LYS 27 Cb 0.44 -0.16 0.05 0.00 -1.58 0.00 0.00 32.23 30.98 1jww h LYS 27 CO -0.00 0.64 0.96 0.42 -1.08 0.00 0.00 179.45 180.39 1jww s ILE 28 N -5.48 2.41 0.14 1.86 1.09 0.11 -4.92 121.20 116.41 1jww s ILE 28 Ca -0.10 0.25 -0.21 0.00 -1.10 0.00 0.00 60.65 59.49 1jww s ILE 28 Cb 0.17 -3.16 -0.00 0.00 -1.06 0.00 0.00 42.46 38.40 1jww s ILE 28 CO 0.78 0.02 1.68 -0.33 -0.10 0.00 0.00 174.94 176.98 1jww h GLU 29 N 7.08 -0.11 -1.59 2.79 4.39 -1.87 -2.99 114.58 122.28 1jww h GLU 29 Ca -0.43 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.15 1jww h GLU 29 Cb 1.20 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1jww h GLU 29 CO 0.94 -0.07 0.16 0.41 -1.16 0.00 0.00 179.01 179.28 1jww n GLY 30 N -1.28 2.97 3.85 -3.84 0.00 -1.26 -4.86 105.19 100.78 1jww n GLY 30 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.85 4.76 0.09 1.61 0.11 -1.13 -0.05 120.40 124.94 1jww s VAL 31 Ca 0.12 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1jww s VAL 31 Cb 0.10 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1jww s VAL 31 CO 0.00 -0.13 0.00 0.00 -3.33 0.00 0.00 175.10 171.64 1jww n ALA 32 N -0.51 3.00 -2.47 1.54 0.00 -0.08 -4.91 120.51 117.07 1jww n ALA 32 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1jww n ALA 32 Cb 0.55 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.17 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 -5.83 0.52 -0.42 0.00 0.01 -0.75 -5.01 114.94 103.46 1jww s ASN 33 Ca 0.00 -0.79 0.09 0.00 -0.71 0.00 0.00 52.86 51.45 1jww s ASN 33 Cb 0.00 0.14 0.34 0.00 0.41 0.00 0.00 41.25 42.14 1jww s ASN 33 CO 0.00 -0.44 1.02 0.00 -1.51 0.00 0.00 177.10 176.17 1jww n ALA 34 N 0.72 0.39 -2.22 0.60 0.00 -1.26 -0.35 120.51 118.40 1jww n ALA 34 Ca -0.18 -2.07 -0.36 0.00 0.00 0.00 0.00 53.44 50.83 1jww n ALA 34 Cb 0.58 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 0.23 2.31 -1.22 0.00 -0.04 -1.17 -4.53 135.00 130.57 1jww n PRO 35 Ca 0.11 -2.78 -0.33 0.00 -0.04 0.00 0.00 63.50 60.46 1jww n PRO 35 Cb 0.71 -3.57 0.11 0.00 -0.04 0.00 0.00 33.50 30.70 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 7.58 2.45 -0.26 0.52 -7.23 -1.26 -4.37 120.40 117.84 1jww s VAL 36 Ca 0.61 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.84 1jww s VAL 36 Cb 0.03 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1jww s VAL 36 CO 0.10 -0.15 0.25 0.20 -0.31 0.00 0.00 175.10 175.19 1jww s ASN 37 N -2.45 6.15 -0.67 4.85 0.01 0.09 -4.92 114.94 118.00 1jww s ASN 37 Ca 0.70 0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.99 1jww s ASN 37 Cb -0.25 -2.15 0.42 0.00 0.41 0.00 0.00 41.25 39.69 1jww s ASN 37 CO 0.50 -0.05 1.93 2.22 -1.51 0.00 0.00 177.10 180.19 1jww n PHE 38 N 4.81 3.14 0.00 2.20 -1.74 -1.26 -3.60 117.46 121.01 1jww n PHE 38 Ca -0.12 -2.79 0.00 0.00 -0.56 0.00 0.00 57.45 53.98 1jww n PHE 38 Cb 0.52 -1.24 0.00 0.00 1.52 0.00 0.00 39.48 40.27 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 -0.79 0.00 0.21 1.98 0.00 -1.26 -4.60 120.51 116.04 1jww n ALA 39 Ca 0.58 0.00 0.10 0.00 0.00 0.00 0.00 53.44 54.12 1jww n ALA 39 Cb 0.58 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.00 0.00 3.38 -2.00 -3.48 115.31 111.22 1jww h LEU 40 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1jww h LEU 40 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 1jww h LEU 40 CO 0.00 0.20 -0.72 -0.62 0.09 0.00 0.00 178.44 177.39 1jww n GLU 41 N -3.21 -4.44 -3.94 1.13 1.02 -1.24 -5.03 120.64 104.93 1jww n GLU 41 Ca 0.02 0.77 -0.16 0.00 -0.02 0.00 0.00 57.16 57.77 1jww n GLU 41 Cb 0.53 -5.47 -0.16 0.00 -0.02 0.00 0.00 31.44 26.32 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 -3.33 0.16 -0.24 2.62 -4.23 -1.25 -3.24 115.64 106.12 1jww s THR 42 Ca 0.16 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1jww s THR 42 Cb -0.02 -0.22 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 1jww s THR 42 CO 0.66 0.11 0.16 -0.69 -0.54 0.00 0.00 174.62 174.31 1jww s VAL 43 N 0.68 5.35 -0.28 2.29 1.01 -0.21 -0.73 120.40 128.51 1jww s VAL 43 Ca -0.07 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1jww s VAL 43 Cb -0.10 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1jww s VAL 43 CO -0.01 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.60 1jww s THR 44 N 0.99 3.77 0.06 3.92 2.01 -1.26 -0.76 115.64 124.38 1jww s THR 44 Ca 0.07 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1jww s THR 44 Cb -0.13 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1jww s THR 44 CO 0.04 0.12 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.20 1jww s VAL 45 N 1.47 2.65 -0.31 3.82 1.01 0.28 -3.05 120.40 126.27 1jww s VAL 45 Ca 0.02 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1jww s VAL 45 Cb -0.17 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1jww s VAL 45 CO 0.01 0.30 0.02 -0.70 0.00 0.00 0.00 175.10 174.73 1jww s GLU 46 N -1.53 2.31 0.09 2.72 2.12 0.53 -0.61 118.70 124.33 1jww s GLU 46 Ca 0.14 -1.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.09 1jww s GLU 46 Cb -0.10 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1jww s GLU 46 CO 0.05 -0.70 -0.00 1.52 -0.54 0.00 0.00 175.26 175.60 1jww s TYR 47 N 1.21 0.71 -0.18 5.30 -0.85 -0.22 -0.91 117.35 122.41 1jww s TYR 47 Ca -0.03 -1.11 -0.14 0.00 -0.52 0.00 0.00 57.07 55.27 1jww s TYR 47 Cb -0.20 -0.45 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 1jww s TYR 47 CO -0.02 -0.40 0.31 0.54 -1.52 0.00 0.00 175.55 174.46 1jww s ASN 48 N -2.99 6.41 -1.24 -0.18 2.20 0.92 -0.31 114.94 119.76 1jww s ASN 48 Ca 0.14 0.48 -0.09 0.00 -0.94 0.00 0.00 52.86 52.45 1jww s ASN 48 Cb 0.07 -2.19 -0.07 0.00 -2.00 0.00 0.00 41.25 37.07 1jww s ASN 48 CO -0.05 0.05 2.45 -0.81 -2.94 0.00 0.00 177.10 175.80 1jww n PRO 49 N 3.86 2.76 0.00 3.55 -0.04 -1.26 -2.50 135.00 141.37 1jww n PRO 49 Ca -0.11 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1jww n PRO 49 Cb 0.52 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.35 0.00 -0.10 0.54 -0.00 -1.26 -4.93 118.16 116.75 1jww n LYS 50 Ca 0.59 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.76 1jww n LYS 50 Cb 0.22 -0.12 -0.09 0.00 -0.00 0.00 0.00 35.03 35.03 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 -2.21 0.50 -2.93 -1.58 4.07 -1.24 -5.03 120.64 112.22 1jww n GLU 51 Ca 0.00 0.12 -0.27 0.00 -0.06 0.00 0.00 57.16 56.94 1jww n GLU 51 Cb 0.00 -1.40 -0.01 0.00 -0.06 0.00 0.00 31.44 29.97 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 -2.40 3.49 0.08 4.31 0.00 -1.04 -4.62 121.76 121.58 1jww s ALA 52 Ca -0.27 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1jww s ALA 52 Cb 0.07 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1jww s ALA 52 CO 0.46 -0.14 0.25 -1.54 0.00 0.00 0.00 175.76 174.79 1jww s SER 53 N -3.80 -0.00 0.21 0.00 1.04 -1.26 -4.36 113.70 105.53 1jww s SER 53 Ca 0.46 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.31 1jww s SER 53 Cb -0.10 0.37 0.29 0.00 0.10 0.00 0.00 66.02 66.67 1jww s SER 53 CO 0.39 -0.72 1.74 -0.37 0.98 0.00 0.00 173.24 175.25 1jww h VAL 54 N 2.80 0.74 -0.70 5.02 -1.51 -1.99 -2.40 116.25 118.21 1jww h VAL 54 Ca -0.33 -0.13 0.05 0.00 -1.23 0.00 0.00 66.70 65.05 1jww h VAL 54 Cb 1.21 0.32 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 1jww h VAL 54 CO 0.52 0.07 0.42 0.28 -1.23 0.00 0.00 177.57 177.63 1jww h SER 55 N 0.39 0.65 0.60 4.19 0.02 -1.97 0.69 113.55 118.12 1jww h SER 55 Ca 0.31 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1jww h SER 55 Cb 0.41 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1jww h SER 55 CO -0.33 0.44 -0.29 -0.78 -1.14 0.00 0.00 176.83 174.73 1jww h ASP 56 N 0.79 -0.69 -0.58 3.07 1.82 -1.88 0.63 116.42 119.59 1jww h ASP 56 Ca 0.30 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.84 1jww h ASP 56 Cb 0.11 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1jww h ASP 56 CO -0.15 -0.36 0.07 0.17 -1.61 0.00 0.00 179.24 177.37 1jww h LEU 57 N -1.02 0.93 -0.82 2.28 8.10 -1.34 0.32 115.31 123.77 1jww h LEU 57 Ca -0.08 -0.27 0.15 0.00 0.11 0.00 0.00 57.88 57.78 1jww h LEU 57 Cb 0.67 -0.25 -0.15 0.00 -0.44 0.00 0.00 40.66 40.50 1jww h LEU 57 CO 0.14 0.97 -0.29 0.50 -4.11 0.00 0.00 178.44 175.65 1jww h LYS 58 N 0.86 -0.04 -0.53 0.17 3.64 -0.90 -1.34 116.57 118.43 1jww h LYS 58 Ca 0.17 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1jww h LYS 58 Cb 0.45 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1jww h LYS 58 CO 0.02 -0.03 0.23 1.49 -2.27 0.00 0.00 179.45 178.89 1jww h GLU 59 N -0.04 0.42 -0.09 1.90 4.22 0.20 0.21 114.58 121.39 1jww h GLU 59 Ca 0.35 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.80 1jww h GLU 59 Cb 0.60 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1jww h GLU 59 CO -0.85 0.28 -0.27 0.00 -2.18 0.00 0.00 179.01 175.99 1jww h ALA 60 N 1.33 -0.31 -0.36 2.92 0.00 -0.17 0.16 119.26 122.84 1jww h ALA 60 Ca 0.25 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jww h ALA 60 Cb 0.23 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jww h ALA 60 CO -0.22 -0.75 0.16 0.28 0.00 0.00 0.00 179.25 178.72 1jww h VAL 61 N -0.37 0.96 0.06 0.00 2.07 -0.74 -0.96 116.25 117.27 1jww h VAL 61 Ca 0.09 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1jww h VAL 61 Cb 0.50 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1jww h VAL 61 CO -0.30 0.06 -0.33 -0.78 0.02 0.00 0.00 177.57 176.24 1jww h ASP 62 N 0.34 -0.97 -0.38 0.57 1.82 0.29 -1.39 116.42 116.69 1jww h ASP 62 Ca 0.15 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1jww h ASP 62 Cb 0.08 0.38 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1jww h ASP 62 CO -0.12 -0.40 0.25 0.50 -1.61 0.00 0.00 179.24 177.86 1jww h LYS 63 N -0.52 0.47 -0.95 0.28 3.64 -0.68 0.13 116.57 118.95 1jww h LYS 63 Ca 0.05 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 1jww h LYS 63 Cb 0.58 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1jww h LYS 63 CO -0.23 0.31 0.60 1.25 -2.27 0.00 0.00 179.45 179.11 1jww h LEU 64 N 0.49 0.69 0.00 5.20 7.12 -0.05 -3.47 115.31 125.30 1jww h LEU 64 Ca 0.14 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1jww h LEU 64 Cb -0.01 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 1jww h LEU 64 CO -0.03 0.31 0.00 0.61 -0.13 0.00 0.00 178.44 179.19 1jww n GLY 65 N -1.41 1.47 3.32 3.75 0.00 0.45 -5.10 105.19 107.66 1jww n GLY 65 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 1.54 0.24 1.61 1.13 -1.20 -5.05 117.35 113.62 1jww s TYR 66 Ca 0.00 -1.32 0.10 0.00 -1.41 0.00 0.00 57.07 54.44 1jww s TYR 66 Cb 0.00 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.97 1jww s TYR 66 CO 0.00 -0.48 -0.08 0.15 -2.51 0.00 0.00 175.55 172.63 1jww s LYS 67 N -3.91 2.08 -0.02 -3.49 1.02 -1.23 -2.98 119.74 111.21 1jww s LYS 67 Ca 0.37 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 1jww s LYS 67 Cb 0.06 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1jww s LYS 67 CO 0.16 0.38 0.12 -1.17 -0.92 0.00 0.00 175.35 173.92 1jww s LEU 68 N -3.31 1.59 -0.01 3.17 2.96 -1.26 -3.35 118.68 118.46 1jww s LEU 68 Ca 0.28 -0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 54.05 1jww s LEU 68 Cb -0.07 0.52 0.02 0.00 0.50 0.00 0.00 46.19 47.16 1jww s LEU 68 CO 0.17 -0.21 0.28 -0.54 -1.32 0.00 0.00 176.35 174.73 1jww s LYS 69 N -0.71 0.64 0.84 1.98 -0.14 -1.19 -4.95 119.74 116.21 1jww s LYS 69 Ca -0.08 -0.23 -0.11 0.00 -1.36 0.00 0.00 55.97 54.19 1jww s LYS 69 Cb -0.05 0.28 0.10 0.00 -1.68 0.00 0.00 37.83 36.49 1jww s LYS 69 CO 0.01 -0.17 1.15 -1.17 -0.76 0.00 0.00 175.35 174.40 1jww s LEU 70 N -1.35 3.00 0.06 3.17 2.96 -1.26 -0.29 118.68 124.96 1jww s LEU 70 Ca -0.14 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1jww s LEU 70 Cb -0.05 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.07 1jww s LEU 70 CO 0.04 -2.67 0.00 1.17 -1.32 0.00 0.00 176.35 173.56 1jww n LYS 71 N -3.72 0.00 0.00 1.98 4.81 0.53 -4.63 118.16 117.13 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 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.18 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 2.80 -2.05 3.42 3.14 0.00 -1.16 -5.01 105.19 106.33 1jww n GLY 72 Ca 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 46.02 46.62 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 1.26 0.15 1.61 -1.05 -1.26 -3.21 118.70 116.20 1jww s GLU 73 Ca 0.00 -0.45 -0.10 0.00 -0.15 0.00 0.00 54.97 54.26 1jww s GLU 73 Cb 0.00 0.58 -0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1jww s GLU 73 CO 0.00 -0.55 0.48 1.14 0.95 0.00 0.00 175.26 177.28 1jww s GLN 74 N -3.69 3.81 0.33 -4.83 -2.07 -1.26 -4.47 119.66 107.48 1jww s GLN 74 Ca 0.01 0.25 0.09 0.00 -1.82 0.00 0.00 55.36 53.89 1jww s GLN 74 Cb -0.01 -2.85 -0.05 0.00 -1.09 0.00 0.00 33.01 29.01 1jww s GLN 74 CO -0.13 0.45 0.02 0.34 -1.32 0.00 0.00 175.29 174.66 1jww s ASP 75 N -2.03 4.27 -0.42 12.60 2.15 -1.26 -4.95 116.67 127.02 1jww s ASP 75 Ca 0.40 -0.93 0.01 0.00 0.43 0.00 0.00 52.55 52.46 1jww s ASP 75 Cb -0.13 -0.58 0.19 0.00 -0.30 0.00 0.00 42.92 42.10 1jww s ASP 75 CO 0.20 -0.22 0.84 -0.55 -0.17 0.00 0.00 175.17 175.27 1jww s SER 76 N -3.73 -1.02 0.00 -0.34 0.15 -1.26 -5.15 113.70 102.35 1jww s SER 76 Ca 0.35 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1jww s SER 76 Cb -0.01 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1jww s SER 76 CO 0.20 -0.07 0.00 2.30 1.20 0.00 0.00 173.24 176.87 1jww n ILE 77 N 3.41 0.00 -2.25 6.45 -5.35 -1.26 -5.05 119.36 115.32 1jww n ILE 77 Ca 0.12 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.58 1jww n ILE 77 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.00 -1.71 0.00 6.28 0.00 -1.26 -4.96 120.64 118.98 1jww n GLU 78 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 57.16 58.80 1jww n GLU 78 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 31.44 27.68 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jww n GLY 79 N -0.00 -0.75 0.70 8.31 0.00 -1.26 -5.35 105.19 106.83 1jww n GLY 79 Ca 0.04 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86