#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 0.05 -0.00 1.55 -4.23 -1.26 -4.66 115.64 107.08 1jww s THR 2 Ca 0.00 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1jww s THR 2 Cb 0.00 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1jww s THR 2 CO 0.00 -0.20 -0.02 -1.61 -0.54 0.00 0.00 174.62 172.25 1jww s GLU 3 N -3.95 2.73 -0.37 3.99 2.02 0.58 -4.84 118.70 118.84 1jww s GLU 3 Ca 0.16 -0.64 -0.22 0.00 0.02 0.00 0.00 54.97 54.29 1jww s GLU 3 Cb 0.02 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.63 1jww s GLU 3 CO 0.01 0.62 0.74 0.15 0.02 0.00 0.00 175.26 176.80 1jww s LYS 4 N -1.50 3.68 0.12 1.61 -0.14 -1.26 -0.93 119.74 121.32 1jww s LYS 4 Ca 0.19 0.18 0.09 0.00 -1.36 0.00 0.00 55.97 55.07 1jww s LYS 4 Cb -0.11 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.17 1jww s LYS 4 CO 0.09 -0.86 -0.19 0.00 -0.76 0.00 0.00 175.35 173.63 1jww s ALA 5 N 3.02 2.65 0.14 5.17 0.00 0.02 -4.44 121.76 128.32 1jww s ALA 5 Ca 0.29 -1.36 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1jww s ALA 5 Cb -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1jww s ALA 5 CO 0.17 0.59 -0.19 -1.21 0.00 0.00 0.00 175.76 175.12 1jww s GLU 6 N -2.12 1.73 -0.02 0.00 2.02 -1.21 -0.65 118.70 118.45 1jww s GLU 6 Ca 0.17 -1.26 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1jww s GLU 6 Cb -0.11 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1jww s GLU 6 CO 0.10 0.46 0.04 -0.06 0.02 0.00 0.00 175.26 175.82 1jww s PHE 7 N -1.26 -0.04 -0.06 1.61 0.40 0.30 -0.40 117.98 118.54 1jww s PHE 7 Ca 0.19 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.51 1jww s PHE 7 Cb -0.10 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1jww s PHE 7 CO 0.10 -0.04 0.34 -0.51 0.70 0.00 0.00 175.22 175.81 1jww s ASP 8 N 0.29 6.66 -0.13 1.36 1.01 0.82 -0.90 116.67 125.78 1jww s ASP 8 Ca -0.02 0.79 -0.03 0.00 0.71 0.00 0.00 52.55 54.00 1jww s ASP 8 Cb -0.03 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1jww s ASP 8 CO -0.01 0.29 -0.05 -0.63 0.21 0.00 0.00 175.17 174.98 1jww s ILE 9 N -0.72 3.84 -0.54 0.77 -1.09 -1.18 -2.69 121.20 119.58 1jww s ILE 9 Ca 0.21 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 1jww s ILE 9 Cb -0.15 -2.65 0.14 0.00 -1.58 0.00 0.00 42.46 38.22 1jww s ILE 9 CO 0.10 0.52 0.30 -1.61 -1.23 0.00 0.00 174.94 173.02 1jww s GLU 10 N 0.07 1.95 0.00 2.79 2.02 -1.05 -4.96 118.70 119.52 1jww s GLU 10 Ca -0.01 -2.66 0.00 0.00 0.02 0.00 0.00 54.97 52.33 1jww s GLU 10 Cb -0.14 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1jww s GLU 10 CO 0.03 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1jww n GLY 11 N 2.97 -0.20 3.74 -1.39 0.00 -1.26 -3.02 105.19 106.02 1jww n GLY 11 Ca 0.08 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 4.40 -0.46 1.61 -1.94 -1.26 -4.97 119.30 116.67 1jww s MET 12 Ca 0.00 2.03 0.06 0.00 -1.71 0.00 0.00 55.69 56.08 1jww s MET 12 Cb 0.00 -3.19 0.22 0.00 2.01 0.00 0.00 34.83 33.87 1jww s MET 12 CO 0.00 -0.22 0.70 -2.37 -0.01 0.00 0.00 175.02 173.12 1jww n THR 13 N 2.51 -0.31 -3.57 2.05 5.66 -1.26 -4.94 114.28 114.41 1jww n THR 13 Ca 0.05 -2.18 -0.14 0.00 -3.05 0.00 0.00 64.05 58.74 1jww n THR 13 Cb 0.43 0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 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 3.30 1.02 -0.39 0.00 0.00 -1.96 0.16 119.26 121.38 1jww h ALA 15 Ca -0.24 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jww h ALA 15 Cb 1.16 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1jww h ALA 15 CO 0.27 -0.43 -0.12 0.00 0.00 0.00 0.00 179.25 178.98 1jww h ALA 16 N 1.73 1.05 0.12 0.00 0.00 -1.97 0.14 119.26 120.32 1jww h ALA 16 Ca 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jww h ALA 16 Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jww h ALA 16 CO -0.64 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.13 1jww n ALA 18 N -2.53 -0.38 -0.32 0.00 0.00 0.20 0.16 120.51 117.64 1jww n ALA 18 Ca -0.08 0.88 0.21 0.00 0.00 0.00 0.00 53.44 54.46 1jww n ALA 18 Cb 0.28 -0.27 0.49 0.00 0.00 0.00 0.00 19.45 19.95 1jww n ALA 18 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1jww h ASN 19 N 0.00 0.48 -0.03 0.00 -1.24 -0.92 -1.15 115.58 112.71 1jww h ASN 19 Ca 0.24 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.28 1jww h ASN 19 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1jww h ASN 19 CO -0.93 0.11 -0.17 -0.09 -1.29 0.00 0.00 177.43 175.07 1jww h ARG 20 N 0.43 0.17 -0.85 6.67 2.43 0.14 -3.18 114.38 120.19 1jww h ARG 20 Ca 0.58 -0.14 0.15 0.00 -0.81 0.00 0.00 59.98 59.76 1jww h ARG 20 Cb 1.42 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.85 1jww h ARG 20 CO -0.30 0.80 -0.31 0.82 -1.51 0.00 0.00 179.97 179.47 1jww h ILE 21 N -0.41 0.09 -0.74 1.20 2.04 0.06 -0.05 117.51 119.70 1jww h ILE 21 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1jww h ILE 21 Cb 0.83 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 1jww h ILE 21 CO 0.03 0.00 -0.52 -0.33 0.00 0.00 0.00 178.15 177.33 1jww h GLU 22 N -0.04 -0.16 -0.35 2.37 5.08 -1.28 0.97 114.58 121.17 1jww h GLU 22 Ca 0.35 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.55 1jww h GLU 22 Cb 0.60 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jww h GLU 22 CO -0.88 -0.11 -0.43 0.87 -1.00 0.00 0.00 179.01 177.46 1jww h LYS 23 N -0.17 0.89 -0.82 2.33 6.56 -1.37 0.41 116.57 124.41 1jww h LYS 23 Ca 0.16 -0.50 0.12 0.00 -1.06 0.00 0.00 60.65 59.37 1jww h LYS 23 Cb 0.52 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.15 1jww h LYS 23 CO -0.79 1.14 0.53 -0.09 -2.06 0.00 0.00 179.45 178.19 1jww h ARG 24 N 0.72 0.66 0.15 3.15 9.65 -0.14 -0.94 114.38 127.63 1jww h ARG 24 Ca 0.05 -0.04 -0.31 0.00 -1.10 0.00 0.00 59.98 58.58 1jww h ARG 24 Cb 1.03 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1jww h ARG 24 CO 0.10 0.43 -1.47 -0.07 2.80 0.00 0.00 179.97 181.77 1jww h LEU 25 N 0.67 0.50 -2.28 3.80 3.38 -0.42 -3.33 115.31 117.64 1jww h LEU 25 Ca 0.39 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1jww h LEU 25 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jww h LEU 25 CO -0.16 1.50 0.14 -1.13 0.09 0.00 0.00 178.44 178.89 1jww h ASN 26 N 0.09 0.00 -0.98 -0.43 -0.00 0.83 0.18 115.58 115.27 1jww h ASN 26 Ca -0.22 0.00 0.19 0.00 -0.00 0.00 0.00 56.30 56.26 1jww h ASN 26 Cb 2.04 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 40.27 1jww h ASN 26 CO 0.19 0.00 0.61 0.11 -0.00 0.00 0.00 177.43 178.35 1jww h LYS 27 N 0.00 0.66 -6.55 6.67 1.79 -1.32 -3.43 116.57 114.40 1jww h LYS 27 Ca 0.06 -0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.93 1jww h LYS 27 Cb 0.35 -0.15 0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1jww h LYS 27 CO -0.00 0.44 0.90 -0.89 -1.08 0.00 0.00 179.45 178.82 1jww n ILE 28 N -4.67 0.04 0.00 1.86 5.41 0.64 -4.91 119.36 117.73 1jww n ILE 28 Ca 0.22 -0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.84 1jww n ILE 28 Cb 0.59 -1.74 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 1jww n ILE 28 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jww h GLU 29 N 6.47 0.05 -1.95 0.38 4.39 -1.88 -3.21 114.58 118.84 1jww h GLU 29 Ca -0.44 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.03 1jww h GLU 29 Cb 1.23 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.80 1jww h GLU 29 CO 0.92 0.28 -0.07 0.41 -1.16 0.00 0.00 179.01 179.38 1jww n GLY 30 N -0.45 3.24 3.76 -3.84 0.00 -1.26 -4.86 105.19 101.77 1jww n GLY 30 Ca -0.07 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.17 4.34 -0.05 1.61 0.11 -1.22 -0.34 120.40 124.69 1jww s VAL 31 Ca 0.46 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1jww s VAL 31 Cb 0.25 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1jww s VAL 31 CO -0.04 -0.02 -0.09 0.00 -3.33 0.00 0.00 175.10 171.63 1jww n ALA 32 N 0.02 2.56 -2.91 1.54 0.00 0.35 -4.93 120.51 117.14 1jww n ALA 32 Ca -0.09 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1jww n ALA 32 Cb 0.54 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.30 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 -5.67 -0.14 -0.39 0.00 0.01 -0.70 -5.01 114.94 103.03 1jww s ASN 33 Ca -0.09 -0.35 0.10 0.00 -0.71 0.00 0.00 52.86 51.81 1jww s ASN 33 Cb 0.03 0.42 0.31 0.00 0.41 0.00 0.00 41.25 42.42 1jww s ASN 33 CO 0.11 -0.78 0.70 0.00 -1.51 0.00 0.00 177.10 175.63 1jww n ALA 34 N -0.02 1.66 -2.34 0.60 0.00 -1.26 -0.29 120.51 118.86 1jww n ALA 34 Ca -0.16 -3.09 -0.42 0.00 0.00 0.00 0.00 53.44 49.77 1jww n ALA 34 Cb 0.63 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.77 3.00 -2.03 0.00 -0.04 -1.16 -4.53 135.00 131.01 1jww n PRO 35 Ca 0.21 -3.06 -0.34 0.00 -0.04 0.00 0.00 63.50 60.27 1jww n PRO 35 Cb 0.62 -3.46 0.02 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.43 3.41 0.26 0.52 -7.23 -1.26 -4.23 120.40 116.29 1jww s VAL 36 Ca 0.53 0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 61.29 1jww s VAL 36 Cb 0.06 -3.25 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 1jww s VAL 36 CO 0.05 -0.33 0.67 0.20 -0.31 0.00 0.00 175.10 175.38 1jww s ASN 37 N -2.36 6.81 -0.35 4.85 0.01 -0.28 -4.92 114.94 118.70 1jww s ASN 37 Ca 0.68 1.21 0.09 0.00 -0.71 0.00 0.00 52.86 54.12 1jww s ASN 37 Cb -0.20 -2.34 0.45 0.00 0.41 0.00 0.00 41.25 39.57 1jww s ASN 37 CO 0.35 -0.08 1.13 2.22 -1.51 0.00 0.00 177.10 179.20 1jww n PHE 38 N 0.09 2.70 0.00 2.20 -1.74 -1.26 -4.50 117.46 114.94 1jww n PHE 38 Ca 0.00 -2.61 0.00 0.00 -0.56 0.00 0.00 57.45 54.28 1jww n PHE 38 Cb 0.52 -0.23 0.00 0.00 1.52 0.00 0.00 39.48 41.29 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 -0.55 0.00 0.35 1.98 0.00 -1.26 -4.40 120.51 116.63 1jww n ALA 39 Ca 0.35 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1jww n ALA 39 Cb 0.82 0.00 0.32 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 -1.46 0.00 3.38 -1.99 -3.47 115.31 111.77 1jww h LEU 40 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1jww h LEU 40 Cb 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1jww h LEU 40 CO 0.00 0.00 -0.48 -0.62 0.09 0.00 0.00 178.44 177.43 1jww n GLU 41 N -2.82 -4.68 -3.72 1.13 1.02 -1.26 -5.04 120.64 105.27 1jww n GLU 41 Ca 0.04 0.55 -0.20 0.00 -0.02 0.00 0.00 57.16 57.53 1jww n GLU 41 Cb 0.46 -4.72 -0.18 0.00 -0.02 0.00 0.00 31.44 26.98 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 -3.23 0.00 0.04 2.62 -4.23 -1.26 -3.12 115.64 106.47 1jww s THR 42 Ca 0.14 0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 1jww s THR 42 Cb -0.06 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.50 1jww s THR 42 CO 0.48 0.18 0.60 -0.69 -0.54 0.00 0.00 174.62 174.65 1jww s VAL 43 N 1.94 4.79 -0.15 2.29 1.01 -0.08 -1.13 120.40 129.07 1jww s VAL 43 Ca 0.03 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1jww s VAL 43 Cb -0.12 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1jww s VAL 43 CO -0.03 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.45 1jww s THR 44 N -0.66 2.05 -0.02 3.92 2.01 -1.26 -0.54 115.64 121.14 1jww s THR 44 Ca 0.31 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1jww s THR 44 Cb -0.19 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1jww s THR 44 CO 0.19 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.73 1jww s VAL 45 N 0.91 1.89 -0.47 3.82 1.01 0.18 -2.97 120.40 124.77 1jww s VAL 45 Ca -0.05 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1jww s VAL 45 Cb -0.15 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.77 1jww s VAL 45 CO -0.04 0.53 0.36 -0.70 0.00 0.00 0.00 175.10 175.24 1jww s GLU 46 N -0.58 2.63 0.06 2.72 2.12 0.60 -0.80 118.70 125.44 1jww s GLU 46 Ca 0.09 -1.66 -0.05 0.00 0.36 0.00 0.00 54.97 53.72 1jww s GLU 46 Cb -0.09 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.31 1jww s GLU 46 CO -0.01 -1.15 0.07 1.52 -0.54 0.00 0.00 175.26 175.15 1jww s TYR 47 N 1.43 0.31 -0.14 5.30 1.13 -0.11 -0.50 117.35 124.79 1jww s TYR 47 Ca 0.05 -0.76 -0.17 0.00 -1.41 0.00 0.00 57.07 54.78 1jww s TYR 47 Cb -0.26 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.34 1jww s TYR 47 CO 0.01 -0.42 0.43 0.54 -2.51 0.00 0.00 175.55 173.59 1jww s ASN 48 N -2.67 6.60 -1.05 -0.18 2.20 0.54 -0.31 114.94 120.07 1jww s ASN 48 Ca 0.03 0.71 -0.08 0.00 -0.94 0.00 0.00 52.86 52.58 1jww s ASN 48 Cb 0.04 -2.26 -0.13 0.00 -2.00 0.00 0.00 41.25 36.91 1jww s ASN 48 CO -0.09 0.01 2.93 -0.81 -2.94 0.00 0.00 177.10 176.21 1jww n PRO 49 N 3.75 2.91 0.06 3.55 -0.04 -1.26 -3.84 135.00 140.13 1jww n PRO 49 Ca -0.08 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1jww n PRO 49 Cb 0.52 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.39 0.00 0.06 0.54 3.00 -1.26 -4.89 118.16 118.99 1jww n LYS 50 Ca 0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.82 1jww n LYS 50 Cb 0.38 -0.24 -0.13 0.00 0.00 0.00 0.00 35.03 35.04 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 0.12 0.00 1.64 4.57 -1.89 -3.47 114.58 115.54 1jww h GLU 51 Ca 0.00 -0.20 -0.35 0.00 -1.18 0.00 0.00 59.36 57.63 1jww h GLU 51 Cb 0.00 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.58 1jww h GLU 51 CO 0.00 1.02 -0.31 0.00 -1.18 0.00 0.00 179.01 178.54 1jww n ALA 52 N -2.48 0.43 -2.26 2.92 0.00 -1.25 -4.80 120.51 113.08 1jww n ALA 52 Ca -0.07 -1.35 -0.12 0.00 0.00 0.00 0.00 53.44 51.90 1jww n ALA 52 Cb 0.99 1.00 -0.10 0.00 0.00 0.00 0.00 19.45 21.34 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 -2.63 0.14 0.27 0.00 1.04 -1.26 -4.29 113.70 106.97 1jww s SER 53 Ca 0.20 -1.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.22 1jww s SER 53 Cb 0.01 0.39 0.49 0.00 0.10 0.00 0.00 66.02 67.01 1jww s SER 53 CO 0.14 -0.85 1.59 0.58 0.98 0.00 0.00 173.24 175.68 1jww h VAL 54 N 2.61 0.13 -0.25 5.02 2.07 -1.99 0.24 116.25 124.09 1jww h VAL 54 Ca -0.35 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1jww h VAL 54 Cb 1.25 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1jww h VAL 54 CO 0.52 0.00 -0.22 -1.28 0.02 0.00 0.00 177.57 176.61 1jww h SER 55 N 0.02 0.45 0.67 0.57 0.87 -1.99 -1.57 113.55 112.57 1jww h SER 55 Ca 0.47 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1jww h SER 55 Cb 0.81 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1jww h SER 55 CO -0.87 0.68 -0.32 -0.78 -0.53 0.00 0.00 176.83 175.00 1jww h ASP 56 N 0.41 -0.77 -0.40 6.23 1.82 -1.68 -3.17 116.42 118.86 1jww h ASP 56 Ca 0.06 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1jww h ASP 56 Cb 0.62 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 1jww h ASP 56 CO 0.04 -0.41 0.14 0.17 -1.61 0.00 0.00 179.24 177.57 1jww h LEU 57 N -1.17 0.56 -1.05 2.28 8.10 -0.81 0.21 115.31 123.43 1jww h LEU 57 Ca -0.09 -0.19 0.25 0.00 0.11 0.00 0.00 57.88 57.96 1jww h LEU 57 Cb 0.69 -0.15 -0.12 0.00 -0.44 0.00 0.00 40.66 40.65 1jww h LEU 57 CO 0.15 0.60 0.61 0.07 -4.11 0.00 0.00 178.44 175.76 1jww h LYS 58 N 0.49 0.55 -0.49 0.17 5.09 -1.45 0.88 116.57 121.81 1jww h LYS 58 Ca 0.13 -0.03 0.08 0.00 0.09 0.00 0.00 60.65 60.91 1jww h LYS 58 Cb 0.23 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.41 1jww h LYS 58 CO -0.01 0.36 0.33 1.49 -2.09 0.00 0.00 179.45 179.54 1jww h GLU 59 N 0.57 0.34 -0.24 0.07 4.81 -0.54 0.14 114.58 119.71 1jww h GLU 59 Ca 0.64 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.87 1jww h GLU 59 Cb 1.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1jww h GLU 59 CO -0.45 0.22 0.10 0.00 -0.73 0.00 0.00 179.01 178.15 1jww h ALA 60 N 1.74 0.28 0.04 2.92 0.00 -0.74 0.24 119.26 123.75 1jww h ALA 60 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jww h ALA 60 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jww h ALA 60 CO -0.05 -0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.15 1jww h VAL 61 N 0.22 1.13 -1.00 0.00 2.07 -1.39 -1.95 116.25 115.33 1jww h VAL 61 Ca 0.10 -0.56 0.22 0.00 0.82 0.00 0.00 66.70 67.28 1jww h VAL 61 Cb 0.05 1.50 -0.11 0.00 -1.52 0.00 0.00 31.29 31.22 1jww h VAL 61 CO -0.09 0.14 0.61 -0.78 0.02 0.00 0.00 177.57 177.47 1jww h ASP 62 N -0.31 0.69 0.04 0.57 1.82 -0.28 0.11 116.42 119.07 1jww h ASP 62 Ca -0.01 0.10 -0.25 0.00 -0.39 0.00 0.00 57.03 56.48 1jww h ASP 62 Cb 0.28 -0.02 0.02 0.00 0.68 0.00 0.00 39.33 40.29 1jww h ASP 62 CO 0.01 0.20 -1.01 0.50 -1.61 0.00 0.00 179.24 177.33 1jww h LYS 63 N 0.65 0.62 -0.93 0.28 1.63 -0.48 -2.92 116.57 115.41 1jww h LYS 63 Ca 0.59 -0.72 0.14 0.00 -0.85 0.00 0.00 60.65 59.82 1jww h LYS 63 Cb 1.08 0.22 -0.09 0.00 -0.60 0.00 0.00 32.23 32.84 1jww h LYS 63 CO -0.38 1.30 0.55 -0.07 -3.45 0.00 0.00 179.45 177.40 1jww h LEU 64 N 0.24 0.74 0.00 5.20 3.38 -0.24 -3.47 115.31 121.17 1jww h LEU 64 Ca -0.14 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jww h LEU 64 Cb 1.69 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1jww h LEU 64 CO 0.20 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1jww n GLY 65 N -1.33 1.73 3.90 0.83 0.00 -0.24 -5.10 105.19 104.99 1jww n GLY 65 Ca 0.19 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 3.55 0.09 1.61 1.13 -1.24 -4.92 117.35 117.57 1jww s TYR 66 Ca 0.00 0.83 0.03 0.00 -1.41 0.00 0.00 57.07 56.52 1jww s TYR 66 Cb 0.00 -2.34 -0.04 0.00 -1.10 0.00 0.00 41.96 38.48 1jww s TYR 66 CO 0.00 -0.32 0.09 0.21 -2.51 0.00 0.00 175.55 173.02 1jww s LYS 67 N -4.78 2.89 0.12 -3.49 2.36 -1.17 -3.05 119.74 112.62 1jww s LYS 67 Ca 0.48 -0.71 0.09 0.00 -2.55 0.00 0.00 55.97 53.28 1jww s LYS 67 Cb -0.10 -2.72 -0.04 0.00 -1.05 0.00 0.00 37.83 33.92 1jww s LYS 67 CO 0.45 0.56 -0.23 -1.17 1.55 0.00 0.00 175.35 176.51 1jww s LEU 68 N -2.49 2.32 -0.19 5.43 2.96 -1.26 -2.52 118.68 122.93 1jww s LEU 68 Ca 0.30 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 1jww s LEU 68 Cb -0.12 -1.00 0.05 0.00 0.50 0.00 0.00 46.19 45.62 1jww s LEU 68 CO 0.22 0.10 0.51 -0.75 -1.32 0.00 0.00 176.35 175.11 1jww s LYS 69 N -2.04 0.60 0.72 1.98 2.47 -1.09 -4.97 119.74 117.40 1jww s LYS 69 Ca 0.10 0.71 -0.12 0.00 -1.56 0.00 0.00 55.97 55.10 1jww s LYS 69 Cb -0.10 0.29 0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1jww s LYS 69 CO 0.05 -0.07 1.09 -1.17 0.16 0.00 0.00 175.35 175.41 1jww s LEU 70 N 0.27 3.17 0.03 5.43 0.20 -1.26 -0.12 118.68 126.40 1jww s LEU 70 Ca -0.00 1.84 0.00 0.00 0.69 0.00 0.00 54.13 56.66 1jww s LEU 70 Cb -0.04 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.20 1jww s LEU 70 CO 0.01 -1.79 0.00 1.17 -0.29 0.00 0.00 176.35 175.45 1jww n LYS 71 N -3.07 0.00 0.00 1.98 4.81 0.46 -4.75 118.16 117.59 1jww n LYS 71 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1jww n LYS 71 Cb 0.53 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 3.33 -1.95 3.63 3.14 0.00 -1.23 -5.01 105.19 107.11 1jww n GLY 72 Ca 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.56 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 1.27 -1.14 1.61 -1.05 -1.26 -3.34 118.70 114.78 1jww s GLU 73 Ca 0.00 -0.60 -0.08 0.00 -0.15 0.00 0.00 54.97 54.13 1jww s GLU 73 Cb 0.00 0.50 -0.12 0.00 -0.44 0.00 0.00 34.13 34.07 1jww s GLU 73 CO 0.00 -0.57 2.92 0.00 0.95 0.00 0.00 175.26 178.56 1jww n GLN 74 N -0.39 3.02 -4.05 -4.83 10.64 -1.26 -4.53 117.38 115.98 1jww n GLN 74 Ca -0.09 -1.79 -0.41 0.00 -1.83 0.00 0.00 57.00 52.88 1jww n GLN 74 Cb 0.62 -2.55 0.02 0.00 -0.86 0.00 0.00 30.24 27.46 1jww n GLN 74 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1jww n ASP 75 N 3.44 -3.47 -0.06 2.61 2.03 -1.26 -4.88 116.55 114.97 1jww n ASP 75 Ca 0.64 -1.13 -0.15 0.00 0.52 0.00 0.00 54.79 54.68 1jww n ASP 75 Cb 0.35 -1.35 -0.13 0.00 -0.72 0.00 0.00 41.12 39.27 1jww n ASP 75 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1jww h SER 76 N -1.86 0.05 0.00 1.67 0.87 -1.96 -3.47 113.55 108.85 1jww h SER 76 Ca -0.62 -0.99 0.00 0.00 -1.23 0.00 0.00 61.79 58.96 1jww h SER 76 Cb 1.21 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1jww h SER 76 CO 0.45 1.03 0.00 -0.38 -0.53 0.00 0.00 176.83 177.40 1jww n ILE 77 N -4.57 0.00 -4.43 2.23 5.41 -1.26 -4.95 119.36 111.79 1jww n ILE 77 Ca -0.10 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.39 1jww n ILE 77 Cb 0.51 -0.43 -0.11 0.00 -0.71 0.00 0.00 39.64 38.90 1jww n ILE 77 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1jww s GLU 78 N -0.86 1.55 -0.33 0.38 2.02 -1.26 -5.11 118.70 115.09 1jww s GLU 78 Ca 0.00 -1.59 0.02 0.00 0.02 0.00 0.00 54.97 53.42 1jww s GLU 78 Cb 0.00 -1.77 0.15 0.00 0.10 0.00 0.00 34.13 32.62 1jww s GLU 78 CO 0.00 0.36 0.39 0.20 0.02 0.00 0.00 175.26 176.23 1jww s GLY 79 N -2.94 -0.34 0.00 -1.39 0.00 -1.26 -5.13 107.32 96.26 1jww s GLY 79 Ca 0.23 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.71 1jww s GLY 79 CO 0.11 2.90 0.74 -2.13 0.00 0.00 0.00 173.10 174.72