#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 3.12 0.15 2.52 -4.23 -1.26 -4.53 115.64 111.41 1jww s THR 2 Ca 0.00 -0.68 0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1jww s THR 2 Cb 0.00 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1jww s THR 2 CO 0.00 0.57 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.79 1jww s GLU 3 N -0.46 1.81 -0.07 3.99 2.12 0.54 -4.79 118.70 121.84 1jww s GLU 3 Ca 0.06 -1.27 -0.23 0.00 0.36 0.00 0.00 54.97 53.89 1jww s GLU 3 Cb -0.12 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 1jww s GLU 3 CO 0.02 0.45 0.70 0.15 -0.54 0.00 0.00 175.26 176.04 1jww s LYS 4 N -2.42 4.43 -0.02 4.30 3.01 -1.26 -0.89 119.74 126.88 1jww s LYS 4 Ca 0.20 0.88 0.02 0.00 -1.01 0.00 0.00 55.97 56.06 1jww s LYS 4 Cb -0.10 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 1jww s LYS 4 CO 0.11 0.05 -0.06 0.00 0.51 0.00 0.00 175.35 175.96 1jww s ALA 5 N 0.86 0.64 0.13 5.17 0.00 0.23 -4.40 121.76 124.38 1jww s ALA 5 Ca 0.37 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.20 1jww s ALA 5 Cb -0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1jww s ALA 5 CO 0.18 0.10 -0.17 -1.21 0.00 0.00 0.00 175.76 174.66 1jww s GLU 6 N 0.21 1.81 -0.01 0.00 2.02 -1.26 -0.55 118.70 120.93 1jww s GLU 6 Ca -0.03 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1jww s GLU 6 Cb -0.07 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1jww s GLU 6 CO -0.00 0.47 -0.01 -0.06 0.02 0.00 0.00 175.26 175.68 1jww s PHE 7 N -1.25 0.13 -0.18 1.61 0.40 0.22 -0.16 117.98 118.75 1jww s PHE 7 Ca 0.19 -0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.43 1jww s PHE 7 Cb -0.10 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.26 1jww s PHE 7 CO 0.11 -0.02 0.09 0.34 0.70 0.00 0.00 175.22 176.44 1jww s ASP 8 N 0.16 5.89 0.17 1.36 -1.08 0.98 -1.76 116.67 122.39 1jww s ASP 8 Ca -0.01 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.27 1jww s ASP 8 Cb -0.03 -2.01 -0.04 0.00 -1.46 0.00 0.00 42.92 39.38 1jww s ASP 8 CO -0.00 0.19 -0.11 -0.63 0.52 0.00 0.00 175.17 175.13 1jww s ILE 9 N 0.28 3.10 -0.50 4.11 -1.09 -1.25 -2.40 121.20 123.44 1jww s ILE 9 Ca 0.06 -1.66 0.03 0.00 -2.23 0.00 0.00 60.65 56.85 1jww s ILE 9 Cb -0.12 -2.52 0.15 0.00 -1.58 0.00 0.00 42.46 38.39 1jww s ILE 9 CO -0.01 -0.08 0.32 -1.61 -1.23 0.00 0.00 174.94 172.33 1jww s GLU 10 N -2.74 1.56 0.00 2.79 2.02 -1.22 -4.95 118.70 116.17 1jww s GLU 10 Ca 0.24 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.84 1jww s GLU 10 Cb -0.09 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1jww s GLU 10 CO 0.14 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1jww n GLY 11 N 3.02 0.55 2.38 -1.39 0.00 -1.26 -4.13 105.19 104.36 1jww n GLY 11 Ca 0.14 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1jww n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1jww n MET 12 N 0.00 2.81 -1.63 1.61 0.00 -1.26 -4.87 117.12 113.78 1jww n MET 12 Ca 0.00 -3.91 -0.31 0.00 0.00 0.00 0.00 57.70 53.49 1jww n MET 12 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 33.22 31.19 1jww n MET 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1jww n THR 13 N -0.63 3.89 -0.88 3.17 -2.24 -1.26 -3.88 114.28 112.45 1jww n THR 13 Ca 0.29 -3.36 0.00 0.00 -2.27 0.00 0.00 64.05 58.70 1jww n THR 13 Cb 0.88 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.03 0.00 -0.13 0.00 0.00 -1.25 -4.25 120.51 114.85 1jww n ALA 15 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jww n ALA 15 Cb 0.34 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.05 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 1.40 0.11 0.00 0.00 -1.94 0.18 119.26 119.02 1jww h ALA 16 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jww h ALA 16 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1jww h ALA 16 CO 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 1jww h ALA 18 N 0.27 0.67 0.00 0.00 0.00 -1.67 0.73 119.26 119.26 1jww h ALA 18 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jww h ALA 18 Cb 0.44 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jww h ALA 18 CO 0.03 -0.26 0.00 -0.91 0.00 0.00 0.00 179.25 178.10 1jww h ASN 19 N 0.30 0.00 0.41 0.00 2.35 -0.50 -0.82 115.58 117.32 1jww h ASN 19 Ca 0.28 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.75 1jww h ASN 19 Cb 0.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.76 1jww h ASN 19 CO -0.33 0.00 -1.22 -0.09 -1.65 0.00 0.00 177.43 174.14 1jww h ARG 20 N 0.00 0.41 -0.73 0.81 2.43 0.18 -3.27 114.38 114.22 1jww h ARG 20 Ca 0.00 -0.61 0.12 0.00 -0.81 0.00 0.00 59.98 58.68 1jww h ARG 20 Cb 0.07 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 29.70 1jww h ARG 20 CO 0.00 1.26 -0.36 0.82 -1.51 0.00 0.00 179.97 180.18 1jww h ILE 21 N 0.16 0.11 -0.84 1.20 1.08 -0.77 -0.32 117.51 118.12 1jww h ILE 21 Ca -0.15 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.53 1jww h ILE 21 Cb 1.91 0.11 -0.15 0.00 -3.07 0.00 0.00 36.82 35.62 1jww h ILE 21 CO 0.21 0.00 0.05 -0.33 -0.69 0.00 0.00 178.15 177.40 1jww h GLU 22 N -0.11 0.10 -0.13 2.37 5.08 -1.60 0.38 114.58 120.67 1jww h GLU 22 Ca 0.27 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1jww h GLU 22 Cb 0.57 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jww h GLU 22 CO -0.79 0.07 -0.18 0.87 -1.00 0.00 0.00 179.01 177.98 1jww h LYS 23 N 0.10 0.34 -0.32 2.33 6.56 -1.26 0.36 116.57 124.68 1jww h LYS 23 Ca 0.49 -0.20 -0.02 0.00 -1.06 0.00 0.00 60.65 59.85 1jww h LYS 23 Cb 0.92 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 1jww h LYS 23 CO -0.73 0.77 0.10 -0.09 -2.06 0.00 0.00 179.45 177.44 1jww h ARG 24 N -0.06 0.46 0.11 3.15 9.65 0.50 -1.92 114.38 126.27 1jww h ARG 24 Ca 0.01 -0.06 -0.29 0.00 -1.10 0.00 0.00 59.98 58.54 1jww h ARG 24 Cb 0.73 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1jww h ARG 24 CO 0.04 0.41 -1.42 -0.07 2.80 0.00 0.00 179.97 181.73 1jww h LEU 25 N 0.46 0.35 -2.43 3.80 3.38 -0.31 -3.21 115.31 117.34 1jww h LEU 25 Ca 0.11 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1jww h LEU 25 Cb 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jww h LEU 25 CO -0.01 1.37 0.08 -1.13 0.09 0.00 0.00 178.44 178.84 1jww h ASN 26 N 0.06 0.00 -1.00 -0.43 -1.24 0.11 0.67 115.58 113.76 1jww h ASN 26 Ca -0.20 0.00 0.17 0.00 0.71 0.00 0.00 56.30 56.98 1jww h ASN 26 Cb 1.99 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.93 1jww h ASN 26 CO 0.17 0.00 0.61 0.07 -1.29 0.00 0.00 177.43 176.99 1jww h LYS 27 N 0.00 0.79 -6.47 6.67 2.10 -1.36 -3.42 116.57 114.88 1jww h LYS 27 Ca 0.03 -0.05 -0.58 0.00 -2.00 0.00 0.00 60.65 58.05 1jww h LYS 27 Cb 0.19 -0.18 0.05 0.00 -0.90 0.00 0.00 32.23 31.39 1jww h LYS 27 CO -0.00 0.52 0.92 -0.89 -2.00 0.00 0.00 179.45 178.00 1jww n ILE 28 N -4.74 0.18 -0.03 0.07 2.08 0.23 -4.91 119.36 112.23 1jww n ILE 28 Ca 0.22 -0.03 -0.13 0.00 0.56 0.00 0.00 62.75 63.37 1jww n ILE 28 Cb 0.52 -1.72 -0.09 0.00 -0.75 0.00 0.00 39.64 37.60 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 7.05 0.12 -1.86 0.38 5.08 -1.88 -3.22 114.58 120.25 1jww h GLU 29 Ca -0.46 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 1jww h GLU 29 Cb 1.25 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1jww h GLU 29 CO 0.91 0.61 0.10 0.41 -1.00 0.00 0.00 179.01 180.04 1jww n GLY 30 N 0.31 3.34 3.91 -3.84 0.00 -1.26 -4.88 105.19 102.77 1jww n GLY 30 Ca -0.08 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.79 5.38 -0.05 1.61 0.11 -1.22 -0.33 120.40 125.11 1jww s VAL 31 Ca 0.31 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1jww s VAL 31 Cb 0.19 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1jww s VAL 31 CO -0.03 0.20 -0.16 0.00 -3.33 0.00 0.00 175.10 171.78 1jww n ALA 32 N 0.52 2.08 -2.89 1.54 0.00 0.57 -4.95 120.51 117.39 1jww n ALA 32 Ca -0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 1jww n ALA 32 Cb 0.52 0.20 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 -6.00 0.14 -0.38 0.00 0.01 -0.64 -4.99 114.94 103.08 1jww s ASN 33 Ca -0.14 -0.43 0.11 0.00 -0.71 0.00 0.00 52.86 51.69 1jww s ASN 33 Cb 0.03 0.20 0.33 0.00 0.41 0.00 0.00 41.25 42.22 1jww s ASN 33 CO 0.20 -0.43 0.71 0.00 -1.51 0.00 0.00 177.10 176.07 1jww n ALA 34 N 1.12 2.20 -1.54 0.60 0.00 -1.26 -0.30 120.51 121.33 1jww n ALA 34 Ca -0.21 -3.47 -0.41 0.00 0.00 0.00 0.00 53.44 49.35 1jww n ALA 34 Cb 0.57 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 0.43 2.81 -1.47 0.00 -0.04 -1.08 -4.73 135.00 130.92 1jww n PRO 35 Ca 0.25 -2.39 -0.33 0.00 -0.04 0.00 0.00 63.50 60.99 1jww n PRO 35 Cb 0.63 -3.12 0.08 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 3.24 2.64 0.16 0.52 -7.23 -1.24 -4.38 120.40 114.11 1jww s VAL 36 Ca 0.52 0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 60.91 1jww s VAL 36 Cb 0.15 -2.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1jww s VAL 36 CO -0.06 -0.19 0.44 0.20 -0.31 0.00 0.00 175.10 175.19 1jww s ASN 37 N -2.32 6.57 -0.38 4.85 0.01 -0.33 -4.93 114.94 118.41 1jww s ASN 37 Ca 0.71 0.75 0.10 0.00 -0.71 0.00 0.00 52.86 53.70 1jww s ASN 37 Cb -0.25 -2.16 0.44 0.00 0.41 0.00 0.00 41.25 39.69 1jww s ASN 37 CO 0.45 0.03 1.08 2.22 -1.51 0.00 0.00 177.10 179.38 1jww n PHE 38 N 0.18 2.62 0.00 2.20 1.16 -1.26 -4.54 117.46 117.81 1jww n PHE 38 Ca -0.02 -2.85 0.00 0.00 -1.87 0.00 0.00 57.45 52.71 1jww n PHE 38 Cb 0.52 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 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 -0.41 0.00 0.33 1.98 0.00 -1.26 -4.47 120.51 116.67 1jww n ALA 39 Ca 0.30 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.88 1jww n ALA 39 Cb 0.75 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.10 0.00 3.38 -1.96 -3.48 115.31 111.15 1jww h LEU 40 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1jww h LEU 40 Cb 0.00 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.90 1jww h LEU 40 CO 0.00 0.00 -0.68 -0.62 0.09 0.00 0.00 178.44 177.23 1jww n GLU 41 N -2.85 -3.83 -3.76 1.13 1.02 -1.26 -5.06 120.64 106.03 1jww n GLU 41 Ca 0.03 0.72 -0.14 0.00 -0.02 0.00 0.00 57.16 57.75 1jww n GLU 41 Cb 0.42 -5.24 -0.15 0.00 -0.02 0.00 0.00 31.44 26.45 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 -3.31 -0.05 -0.00 2.62 -4.23 -1.26 -3.82 115.64 105.59 1jww s THR 42 Ca 0.18 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1jww s THR 42 Cb -0.02 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1jww s THR 42 CO 0.62 0.07 0.06 -0.69 -0.54 0.00 0.00 174.62 174.14 1jww s VAL 43 N 1.06 4.58 -0.03 2.29 1.01 -0.72 -1.19 120.40 127.39 1jww s VAL 43 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1jww s VAL 43 Cb -0.11 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1jww s VAL 43 CO -0.05 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.56 1jww s THR 44 N -1.17 -0.07 0.08 3.92 2.01 -1.26 -0.61 115.64 118.53 1jww s THR 44 Ca 0.22 0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.63 1jww s THR 44 Cb -0.12 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1jww s THR 44 CO 0.13 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.34 1jww s VAL 45 N 1.77 1.45 -0.27 3.82 1.01 0.29 -2.62 120.40 125.85 1jww s VAL 45 Ca -0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1jww s VAL 45 Cb -0.12 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1jww s VAL 45 CO -0.03 -0.10 -0.04 -0.70 0.00 0.00 0.00 175.10 174.23 1jww s GLU 46 N -1.74 2.56 0.12 2.72 2.12 0.58 -0.60 118.70 124.46 1jww s GLU 46 Ca 0.03 -1.17 -0.08 0.00 0.36 0.00 0.00 54.97 54.11 1jww s GLU 46 Cb -0.10 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 1jww s GLU 46 CO 0.03 -0.53 0.21 1.52 -0.54 0.00 0.00 175.26 175.96 1jww s TYR 47 N 1.26 0.33 -0.12 5.30 1.13 -0.07 -0.32 117.35 124.86 1jww s TYR 47 Ca -0.04 -0.73 -0.17 0.00 -1.41 0.00 0.00 57.07 54.72 1jww s TYR 47 Cb -0.19 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.53 1jww s TYR 47 CO -0.03 -0.62 0.45 0.54 -2.51 0.00 0.00 175.55 173.38 1jww s ASN 48 N -2.93 6.66 -1.32 -0.18 2.20 0.55 -0.34 114.94 119.59 1jww s ASN 48 Ca 0.12 0.78 -0.10 0.00 -0.94 0.00 0.00 52.86 52.73 1jww s ASN 48 Cb 0.04 -2.27 -0.07 0.00 -2.00 0.00 0.00 41.25 36.96 1jww s ASN 48 CO -0.05 0.03 2.54 -0.81 -2.94 0.00 0.00 177.10 175.87 1jww n PRO 49 N 3.55 2.94 0.00 3.55 -0.04 -1.26 -3.68 135.00 140.07 1jww n PRO 49 Ca -0.08 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1jww n PRO 49 Cb 0.52 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.25 0.00 0.02 0.54 -0.00 -1.26 -4.92 118.16 116.79 1jww n LYS 50 Ca 0.63 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.72 1jww n LYS 50 Cb 0.22 -0.27 -0.14 0.00 -0.00 0.00 0.00 35.03 34.84 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 0.29 0.00 -1.58 4.57 -1.90 -3.49 114.58 112.47 1jww h GLU 51 Ca 0.00 -0.49 -0.45 0.00 -1.18 0.00 0.00 59.36 57.24 1jww h GLU 51 Cb 0.00 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 28.67 1jww h GLU 51 CO 0.00 1.23 -0.39 0.00 -1.18 0.00 0.00 179.01 178.67 1jww n ALA 52 N -2.96 0.51 -2.66 2.92 0.00 -1.25 -4.89 120.51 112.18 1jww n ALA 52 Ca -0.27 -1.72 -0.10 0.00 0.00 0.00 0.00 53.44 51.35 1jww n ALA 52 Cb 0.98 1.22 -0.08 0.00 0.00 0.00 0.00 19.45 21.57 1jww n ALA 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jww s SER 53 N -3.07 0.06 0.26 0.00 1.04 -1.26 -4.40 113.70 106.33 1jww s SER 53 Ca 0.22 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 1jww s SER 53 Cb 0.01 0.45 0.44 0.00 0.10 0.00 0.00 66.02 67.02 1jww s SER 53 CO 0.15 -0.93 1.59 0.58 0.98 0.00 0.00 173.24 175.62 1jww h VAL 54 N 2.52 0.15 -0.82 5.02 2.07 -2.00 -0.37 116.25 122.82 1jww h VAL 54 Ca -0.32 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.36 1jww h VAL 54 Cb 1.24 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1jww h VAL 54 CO 0.47 0.00 0.36 0.28 0.02 0.00 0.00 177.57 178.71 1jww h SER 55 N 0.02 0.35 0.71 0.57 0.02 -1.97 0.12 113.55 113.37 1jww h SER 55 Ca 0.44 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.48 1jww h SER 55 Cb 0.74 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1jww h SER 55 CO -0.86 0.10 -0.34 -0.78 -1.14 0.00 0.00 176.83 173.81 1jww h ASP 56 N 0.48 -0.81 -0.65 3.07 1.82 -1.47 0.88 116.42 119.74 1jww h ASP 56 Ca 0.47 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.13 1jww h ASP 56 Cb 0.76 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.95 1jww h ASP 56 CO -0.43 -0.44 0.35 0.17 -1.61 0.00 0.00 179.24 177.28 1jww h LEU 57 N -1.24 0.81 -0.73 2.28 8.10 -1.29 0.27 115.31 123.52 1jww h LEU 57 Ca -0.10 -0.10 0.13 0.00 0.11 0.00 0.00 57.88 57.92 1jww h LEU 57 Cb 0.73 -0.21 -0.13 0.00 -0.44 0.00 0.00 40.66 40.61 1jww h LEU 57 CO 0.16 0.68 -0.32 0.50 -4.11 0.00 0.00 178.44 175.35 1jww h LYS 58 N 0.88 -0.09 -0.34 0.17 3.11 -0.82 -1.32 116.57 118.17 1jww h LYS 58 Ca 0.23 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.13 1jww h LYS 58 Cb 0.05 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.25 1jww h LYS 58 CO -0.04 -0.06 0.04 1.49 -2.81 0.00 0.00 179.45 178.07 1jww h GLU 59 N -0.09 0.14 -0.39 1.90 4.22 0.20 0.22 114.58 120.78 1jww h GLU 59 Ca 0.29 -0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.80 1jww h GLU 59 Cb 0.57 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1jww h GLU 59 CO -0.78 0.09 -0.33 0.00 -2.18 0.00 0.00 179.01 175.81 1jww h ALA 60 N 1.27 -0.20 -0.45 2.92 0.00 -0.04 0.18 119.26 122.94 1jww h ALA 60 Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jww h ALA 60 Cb 0.20 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1jww h ALA 60 CO -0.24 -0.74 0.19 0.28 0.00 0.00 0.00 179.25 178.75 1jww h VAL 61 N -0.26 1.20 -0.06 0.00 2.07 -0.83 -1.19 116.25 117.16 1jww h VAL 61 Ca 0.17 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1jww h VAL 61 Cb 0.54 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1jww h VAL 61 CO -0.54 0.22 -0.43 -0.78 0.02 0.00 0.00 177.57 176.06 1jww h ASP 62 N 0.58 -1.33 -0.94 0.57 1.82 0.62 -0.55 116.42 117.18 1jww h ASP 62 Ca 0.15 0.17 0.10 0.00 -0.39 0.00 0.00 57.03 57.06 1jww h ASP 62 Cb 0.16 0.53 -0.07 0.00 0.68 0.00 0.00 39.33 40.63 1jww h ASP 62 CO -0.02 -0.45 0.60 0.50 -1.61 0.00 0.00 179.24 178.27 1jww h LYS 63 N -0.55 0.92 -0.37 0.28 1.63 -0.67 -0.18 116.57 117.64 1jww h LYS 63 Ca 0.06 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.91 1jww h LYS 63 Cb 0.65 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1jww h LYS 63 CO -0.36 0.61 0.33 1.25 -3.45 0.00 0.00 179.45 177.83 1jww h LEU 64 N 0.94 0.00 0.00 5.20 5.85 0.18 -3.46 115.31 124.03 1jww h LEU 64 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1jww h LEU 64 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1jww h LEU 64 CO -0.21 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.50 1jww n GLY 65 N -1.52 1.01 3.14 3.75 0.00 -0.08 -5.08 105.19 106.40 1jww n GLY 65 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.88 0.74 0.33 1.61 1.13 -1.23 -5.04 117.35 114.01 1jww s TYR 66 Ca 0.00 -1.01 -0.09 0.00 -1.41 0.00 0.00 57.07 54.56 1jww s TYR 66 Cb 0.00 -0.47 -0.06 0.00 -1.10 0.00 0.00 41.96 40.33 1jww s TYR 66 CO 0.00 -0.28 0.66 0.15 -2.51 0.00 0.00 175.55 173.57 1jww s LYS 67 N -3.89 3.75 0.04 -3.49 -0.14 -1.26 -3.32 119.74 111.43 1jww s LYS 67 Ca 0.11 0.30 0.03 0.00 -1.36 0.00 0.00 55.97 55.04 1jww s LYS 67 Cb 0.07 -2.52 -0.02 0.00 -1.68 0.00 0.00 37.83 33.67 1jww s LYS 67 CO -0.06 0.12 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.39 1jww s LEU 68 N -3.52 2.23 0.03 3.17 2.96 -1.26 -3.40 118.68 118.89 1jww s LEU 68 Ca 0.48 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 1jww s LEU 68 Cb -0.11 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.37 1jww s LEU 68 CO 0.28 -0.15 0.28 -0.54 -1.32 0.00 0.00 176.35 174.90 1jww s LYS 69 N -1.41 0.76 0.88 1.98 -0.14 -1.01 -4.94 119.74 115.86 1jww s LYS 69 Ca -0.07 -0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 53.94 1jww s LYS 69 Cb -0.09 0.33 0.12 0.00 -1.68 0.00 0.00 37.83 36.51 1jww s LYS 69 CO 0.01 -0.24 1.15 -0.11 -0.76 0.00 0.00 175.35 175.40 1jww n LEU 70 N 0.70 3.64 0.00 3.17 7.94 -1.26 -0.01 117.00 131.17 1jww n LEU 70 Ca -0.19 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1jww n LEU 70 Cb 0.59 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1jww n LEU 70 CO 0.21 -2.03 0.00 1.17 -1.11 0.00 0.00 177.39 175.63 1jww n LYS 71 N -3.85 0.00 0.00 1.96 3.00 0.77 -4.39 118.16 115.65 1jww n LYS 71 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1jww n LYS 71 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.40 1jww n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jww n GLY 72 N 2.85 0.00 0.72 3.14 0.00 -1.25 -5.04 105.19 105.61 1jww n GLY 72 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.74 -2.15 1.61 1.02 -1.26 -4.73 120.64 113.40 1jww n GLU 73 Ca 0.00 1.40 -0.34 0.00 -0.02 0.00 0.00 57.16 58.20 1jww n GLU 73 Cb 0.00 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.48 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 -3.97 2.75 -0.87 3.49 1.11 -1.26 -4.63 119.66 116.27 1jww s GLN 74 Ca 0.00 -0.03 -0.27 0.00 0.01 0.00 0.00 55.36 55.07 1jww s GLN 74 Cb 0.00 -4.75 -0.25 0.00 -1.01 0.00 0.00 33.01 26.99 1jww s GLN 74 CO 0.00 -2.89 1.99 -0.25 0.01 0.00 0.00 175.29 174.15 1jww n ASP 75 N 12.53 1.16 0.23 5.90 8.00 -1.26 -4.70 116.55 138.41 1jww n ASP 75 Ca 0.28 -2.45 0.07 0.00 0.71 0.00 0.00 54.79 53.40 1jww n ASP 75 Cb 0.50 -1.49 0.53 0.00 -0.02 0.00 0.00 41.12 40.63 1jww n ASP 75 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1jww h SER 76 N 11.31 0.00 -2.35 -2.24 0.02 -2.01 -3.35 113.55 114.94 1jww h SER 76 Ca 0.04 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.47 1jww h SER 76 Cb 0.95 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.12 1jww h SER 76 CO 1.17 0.20 -0.83 0.27 -1.14 0.00 0.00 176.83 176.50 1jww s ILE 77 N -4.47 0.03 0.00 3.27 -4.36 -1.26 -5.04 121.20 109.37 1jww s ILE 77 Ca -0.04 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1jww s ILE 77 Cb 0.15 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.86 1jww s ILE 77 CO 0.68 -0.92 0.25 1.21 0.24 0.00 0.00 174.94 176.40 1jww n GLU 78 N 3.83 0.00 0.00 0.37 2.13 -1.26 -4.90 120.64 120.81 1jww n GLU 78 Ca 0.15 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1jww n GLU 78 Cb 0.41 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.28 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 1.19 -0.41 3.55 8.31 0.00 -1.26 -5.20 105.19 111.36 1jww n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19