#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 0.61 -0.00 2.52 -4.23 -1.26 -4.65 115.64 108.63 1jww s THR 2 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1jww s THR 2 Cb 0.00 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 1jww s THR 2 CO 0.00 0.00 0.02 -1.61 -0.54 0.00 0.00 174.62 172.49 1jww s GLU 3 N -3.90 0.10 -0.37 3.99 2.02 0.89 -4.92 118.70 116.50 1jww s GLU 3 Ca 0.35 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 55.13 1jww s GLU 3 Cb 0.06 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.36 1jww s GLU 3 CO 0.15 -0.02 0.20 0.21 0.02 0.00 0.00 175.26 175.83 1jww s LYS 4 N -0.32 2.80 0.03 1.61 2.20 -1.26 -1.11 119.74 123.69 1jww s LYS 4 Ca -0.04 -1.10 0.03 0.00 -0.36 0.00 0.00 55.97 54.51 1jww s LYS 4 Cb -0.02 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1jww s LYS 4 CO -0.00 -0.70 -0.02 0.00 -0.36 0.00 0.00 175.35 174.27 1jww s ALA 5 N 1.54 3.22 0.08 3.13 0.00 0.62 -3.36 121.76 126.98 1jww s ALA 5 Ca 0.02 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1jww s ALA 5 Cb -0.19 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1jww s ALA 5 CO 0.06 0.65 -0.23 -1.21 0.00 0.00 0.00 175.76 175.03 1jww s GLU 6 N -1.74 1.42 0.00 0.00 2.02 -1.26 -0.56 118.70 118.57 1jww s GLU 6 Ca 0.21 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1jww s GLU 6 Cb -0.11 -1.67 -0.00 0.00 0.10 0.00 0.00 34.13 32.44 1jww s GLU 6 CO 0.12 0.41 -0.04 -0.06 0.02 0.00 0.00 175.26 175.71 1jww s PHE 7 N -0.95 0.37 -0.14 1.61 0.40 0.11 -0.19 117.98 119.18 1jww s PHE 7 Ca 0.10 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.27 1jww s PHE 7 Cb -0.10 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 1jww s PHE 7 CO 0.03 -0.01 0.03 0.34 0.70 0.00 0.00 175.22 176.31 1jww s ASP 8 N -0.22 5.40 -0.13 1.36 -1.08 0.60 -1.58 116.67 121.02 1jww s ASP 8 Ca 0.00 0.09 -0.03 0.00 -0.52 0.00 0.00 52.55 52.10 1jww s ASP 8 Cb -0.02 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.63 1jww s ASP 8 CO -0.00 0.26 -0.04 -0.63 0.52 0.00 0.00 175.17 175.27 1jww s ILE 9 N -0.14 3.86 -0.34 4.11 -1.09 -1.26 -2.96 121.20 123.39 1jww s ILE 9 Ca 0.06 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1jww s ILE 9 Cb -0.12 -2.66 0.10 0.00 -1.58 0.00 0.00 42.46 38.19 1jww s ILE 9 CO 0.02 0.52 0.07 -1.61 -1.23 0.00 0.00 174.94 172.71 1jww s GLU 10 N 0.07 1.26 0.00 2.79 2.02 -0.62 -4.90 118.70 119.32 1jww s GLU 10 Ca -0.01 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1jww s GLU 10 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1jww s GLU 10 CO 0.03 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1jww n GLY 11 N 4.40 1.31 3.73 -1.39 0.00 -1.26 -0.96 105.19 111.02 1jww n GLY 11 Ca 0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 1.54 0.00 1.61 0.23 -1.26 -5.06 119.30 116.36 1jww s MET 12 Ca 0.00 0.89 0.00 0.00 -1.03 0.00 0.00 55.69 55.55 1jww s MET 12 Cb 0.00 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.46 1jww s MET 12 CO 0.00 -2.07 0.00 2.41 -2.03 0.00 0.00 175.02 173.33 1jww n THR 13 N -3.77 0.00 0.00 3.16 -1.04 -1.26 -5.07 114.28 106.30 1jww n THR 13 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1jww n THR 13 Cb 0.55 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jww n ALA 15 N 0.00 0.72 -0.04 0.00 0.00 -1.26 -4.02 120.51 115.91 1jww n ALA 15 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1jww n ALA 15 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 1.18 0.15 0.50 0.00 0.00 -1.98 0.13 119.26 119.24 1jww h ALA 16 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1jww h ALA 16 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jww h ALA 16 CO 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 179.25 178.79 1jww h ALA 18 N -0.51 -0.00 -0.01 0.00 0.00 -1.86 0.19 119.26 117.08 1jww h ALA 18 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jww h ALA 18 Cb 0.73 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1jww h ALA 18 CO 0.01 -0.66 0.01 -0.91 0.00 0.00 0.00 179.25 177.69 1jww h ASN 19 N -0.14 0.00 0.11 0.00 -0.26 -0.28 -1.36 115.58 113.65 1jww h ASN 19 Ca 0.25 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 1jww h ASN 19 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1jww h ASN 19 CO -0.71 0.00 -0.05 -0.09 -1.06 0.00 0.00 177.43 175.52 1jww h ARG 20 N 0.00 -0.15 -0.69 0.81 9.65 0.16 -3.36 114.38 120.79 1jww h ARG 20 Ca 0.00 0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.04 1jww h ARG 20 Cb 0.02 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 28.51 1jww h ARG 20 CO -0.00 0.33 0.04 0.82 2.80 0.00 0.00 179.97 183.96 1jww h ILE 21 N -0.88 0.44 -0.60 1.20 2.04 0.11 -0.48 117.51 119.33 1jww h ILE 21 Ca -0.02 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1jww h ILE 21 Cb 0.55 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1jww h ILE 21 CO 0.03 0.03 -0.36 -0.62 0.00 0.00 0.00 178.15 177.23 1jww n GLU 22 N -5.28 -0.27 -0.07 2.37 1.02 -0.94 0.47 120.64 117.94 1jww n GLU 22 Ca 0.12 1.05 -0.14 0.00 -0.02 0.00 0.00 57.16 58.17 1jww n GLU 22 Cb 0.42 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 1jww n GLU 22 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jww h LYS 23 N 0.00 0.70 -0.27 3.49 1.57 -1.41 0.15 116.57 120.81 1jww h LYS 23 Ca 0.10 -0.43 0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1jww h LYS 23 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1jww h LYS 23 CO -0.57 1.05 0.21 -0.09 -0.57 0.00 0.00 179.45 179.48 1jww h ARG 24 N 0.42 0.00 0.13 3.15 9.65 0.25 -0.50 114.38 127.48 1jww h ARG 24 Ca 0.02 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.61 1jww h ARG 24 Cb 0.99 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1jww h ARG 24 CO 0.09 0.00 -1.43 -0.07 2.80 0.00 0.00 179.97 181.36 1jww h LEU 25 N 0.00 0.44 -2.20 3.80 3.38 0.23 -3.34 115.31 117.62 1jww h LEU 25 Ca 0.13 -0.88 0.05 0.00 0.09 0.00 0.00 57.88 57.27 1jww h LEU 25 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1jww h LEU 25 CO -0.00 1.64 0.26 -1.13 0.09 0.00 0.00 178.44 179.30 1jww h ASN 26 N -0.22 0.00 -0.90 -0.43 -0.00 0.15 0.19 115.58 114.37 1jww h ASN 26 Ca -0.30 0.00 0.14 0.00 -0.00 0.00 0.00 56.30 56.14 1jww h ASN 26 Cb 1.83 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 40.05 1jww h ASN 26 CO 0.09 0.00 0.51 0.11 -0.00 0.00 0.00 177.43 178.14 1jww h LYS 27 N 0.00 0.72 -6.55 6.67 1.79 -1.24 -3.42 116.57 114.53 1jww h LYS 27 Ca 0.08 -0.04 -0.59 0.00 -2.18 0.00 0.00 60.65 57.92 1jww h LYS 27 Cb 0.61 -0.16 0.08 0.00 -1.58 0.00 0.00 32.23 31.17 1jww h LYS 27 CO -0.00 0.48 0.65 -0.89 -1.08 0.00 0.00 179.45 178.60 1jww n ILE 28 N -4.79 0.68 0.05 1.86 -0.00 0.05 -4.93 119.36 112.29 1jww n ILE 28 Ca 0.18 -0.17 -0.20 0.00 -0.00 0.00 0.00 62.75 62.56 1jww n ILE 28 Cb 0.42 -1.46 -0.13 0.00 -0.00 0.00 0.00 39.64 38.48 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 4.64 0.46 -1.93 0.38 5.08 -1.88 -3.28 114.58 118.05 1jww h GLU 29 Ca -0.45 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 57.27 1jww h GLU 29 Cb 1.27 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1jww h GLU 29 CO 0.79 1.26 0.03 0.41 -1.00 0.00 0.00 179.01 180.50 1jww n GLY 30 N 1.39 2.59 3.88 -3.84 0.00 -1.26 -4.85 105.19 103.09 1jww n GLY 30 Ca -0.13 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.15 5.15 -0.04 1.61 0.11 -1.24 -0.41 120.40 125.43 1jww s VAL 31 Ca 0.02 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1jww s VAL 31 Cb 0.02 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1jww s VAL 31 CO -0.00 0.15 -0.16 0.00 -3.33 0.00 0.00 175.10 171.76 1jww n ALA 32 N 0.37 1.82 -2.59 1.54 0.00 0.77 -4.93 120.51 117.49 1jww n ALA 32 Ca -0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1jww n ALA 32 Cb 0.51 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 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 -5.73 0.33 -0.41 0.00 0.01 -0.43 -5.00 114.94 103.71 1jww s ASN 33 Ca -0.13 -0.70 0.09 0.00 -0.71 0.00 0.00 52.86 51.41 1jww s ASN 33 Cb 0.02 0.16 0.35 0.00 0.41 0.00 0.00 41.25 42.19 1jww s ASN 33 CO 0.19 -0.45 1.00 0.00 -1.51 0.00 0.00 177.10 176.33 1jww n ALA 34 N 0.89 0.75 -2.18 0.60 0.00 -1.26 -0.14 120.51 119.18 1jww n ALA 34 Ca -0.19 -2.25 -0.37 0.00 0.00 0.00 0.00 53.44 50.63 1jww n ALA 34 Cb 0.58 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 0.19 2.39 -1.46 0.00 -0.04 -1.23 -4.51 135.00 130.33 1jww n PRO 35 Ca 0.12 -2.77 -0.36 0.00 -0.04 0.00 0.00 63.50 60.45 1jww n PRO 35 Cb 0.71 -3.52 0.09 0.00 -0.04 0.00 0.00 33.50 30.74 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 6.80 3.61 -2.76 0.52 0.24 -1.25 -4.41 118.33 121.08 1jww n VAL 36 Ca 0.48 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 62.07 1jww n VAL 36 Cb 0.45 -1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.45 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 -1.66 6.82 -0.32 -1.34 0.01 -0.27 -4.91 114.94 113.26 1jww s ASN 37 Ca 0.78 1.58 0.09 0.00 -0.71 0.00 0.00 52.86 54.60 1jww s ASN 37 Cb -0.35 -2.50 0.46 0.00 0.41 0.00 0.00 41.25 39.27 1jww s ASN 37 CO 0.46 -0.40 1.15 2.22 -1.51 0.00 0.00 177.10 179.02 1jww n PHE 38 N -0.87 2.67 0.00 2.20 -1.74 -1.26 -4.64 117.46 113.82 1jww n PHE 38 Ca 0.06 -2.46 0.00 0.00 -0.56 0.00 0.00 57.45 54.50 1jww n PHE 38 Cb 0.54 -0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.27 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 -0.61 0.00 0.40 1.98 0.00 -1.26 -4.75 120.51 116.27 1jww n ALA 39 Ca 0.37 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.94 1jww n ALA 39 Cb 0.87 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.76 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 -1.63 0.00 3.38 -1.94 -3.47 115.31 111.65 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 0.12 0.00 0.09 0.00 0.00 40.66 40.87 1jww h LEU 40 CO 0.00 0.00 -0.56 -0.62 0.09 0.00 0.00 178.44 177.35 1jww n GLU 41 N -2.62 -5.01 -3.78 1.13 1.02 -1.26 -5.04 120.64 105.08 1jww n GLU 41 Ca 0.03 0.62 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1jww n GLU 41 Cb 0.37 -4.98 -0.14 0.00 -0.02 0.00 0.00 31.44 26.67 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 -3.26 -0.03 -0.13 2.62 -4.23 -1.26 -3.98 115.64 105.35 1jww s THR 42 Ca 0.06 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1jww s THR 42 Cb -0.03 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.58 1jww s THR 42 CO 0.54 0.05 0.23 -0.69 -0.54 0.00 0.00 174.62 174.21 1jww s VAL 43 N 0.80 5.34 -0.12 2.29 1.01 -0.62 -1.12 120.40 127.99 1jww s VAL 43 Ca -0.06 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1jww s VAL 43 Cb -0.08 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1jww s VAL 43 CO -0.04 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.46 1jww s THR 44 N -0.19 1.93 0.10 3.92 2.01 -1.26 -0.71 115.64 121.44 1jww s THR 44 Ca 0.15 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.34 1jww s THR 44 Cb -0.13 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1jww s THR 44 CO 0.04 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.57 1jww s VAL 45 N 0.75 1.93 -0.26 3.82 1.01 0.28 -3.55 120.40 124.38 1jww s VAL 45 Ca -0.10 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.31 1jww s VAL 45 Cb -0.16 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.56 1jww s VAL 45 CO 0.00 0.04 -0.04 -0.70 0.00 0.00 0.00 175.10 174.40 1jww s GLU 46 N -1.87 1.72 0.23 2.72 2.12 0.81 -0.28 118.70 124.14 1jww s GLU 46 Ca 0.10 -1.24 -0.05 0.00 0.36 0.00 0.00 54.97 54.14 1jww s GLU 46 Cb -0.10 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 1jww s GLU 46 CO 0.05 -0.67 0.29 1.52 -0.54 0.00 0.00 175.26 175.91 1jww s TYR 47 N 1.25 0.86 -0.10 5.30 1.13 -0.27 -0.16 117.35 125.36 1jww s TYR 47 Ca -0.03 -1.13 0.00 0.00 -1.41 0.00 0.00 57.07 54.50 1jww s TYR 47 Cb -0.19 -0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 1jww s TYR 47 CO -0.07 -0.81 -0.09 0.54 -2.51 0.00 0.00 175.55 172.60 1jww s ASN 48 N -3.11 4.38 -1.38 -0.18 2.20 0.46 -0.08 114.94 117.23 1jww s ASN 48 Ca 0.32 -0.17 -0.11 0.00 -0.94 0.00 0.00 52.86 51.97 1jww s ASN 48 Cb 0.03 -1.38 -0.06 0.00 -2.00 0.00 0.00 41.25 37.84 1jww s ASN 48 CO 0.12 0.26 2.57 -0.81 -2.94 0.00 0.00 177.10 176.30 1jww n PRO 49 N 2.92 3.04 0.00 3.55 -0.04 -1.26 -3.80 135.00 139.40 1jww n PRO 49 Ca -0.18 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1jww n PRO 49 Cb 0.53 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 4.40 0.00 -0.07 0.54 2.85 -1.26 -4.94 118.16 119.69 1jww n LYS 50 Ca 0.64 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.86 1jww n LYS 50 Cb 0.25 -0.61 -0.02 0.00 -0.65 0.00 0.00 35.03 34.00 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jww n GLU 51 N -2.66 0.42 -4.62 -1.58 0.00 -1.25 -5.04 120.64 105.91 1jww n GLU 51 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 57.16 57.32 1jww n GLU 51 Cb 0.41 -1.57 -0.09 0.00 0.00 0.00 0.00 31.44 30.19 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jww s ALA 52 N -2.78 3.71 0.31 4.31 0.00 -1.26 -4.98 121.76 121.06 1jww s ALA 52 Ca -0.15 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1jww s ALA 52 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1jww s ALA 52 CO 0.22 -0.09 0.12 -1.13 0.00 0.00 0.00 175.76 174.89 1jww n SER 53 N -1.16 0.97 -0.34 0.00 3.41 -1.26 -4.29 113.62 110.95 1jww n SER 53 Ca -0.11 -2.66 0.19 0.00 -0.26 0.00 0.00 58.87 56.03 1jww n SER 53 Cb 0.67 0.84 0.43 0.00 -0.26 0.00 0.00 64.21 65.89 1jww n SER 53 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1jww h VAL 54 N 1.55 0.53 -0.58 -3.33 -1.51 -2.00 -2.70 116.25 108.21 1jww h VAL 54 Ca -0.24 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1jww h VAL 54 Cb 0.93 -0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.03 1jww h VAL 54 CO 0.37 0.09 0.28 0.28 -1.23 0.00 0.00 177.57 177.37 1jww h SER 55 N 0.52 0.75 0.22 4.19 0.02 -1.98 -0.40 113.55 116.87 1jww h SER 55 Ca 0.63 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1jww h SER 55 Cb 1.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1jww h SER 55 CO -0.41 0.67 -0.11 0.44 -1.14 0.00 0.00 176.83 176.28 1jww h ASP 56 N 0.78 -0.25 -0.35 3.07 5.19 -1.88 0.18 116.42 123.17 1jww h ASP 56 Ca 0.20 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 1jww h ASP 56 Cb 0.11 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1jww h ASP 56 CO -0.03 0.04 -0.05 0.17 -3.12 0.00 0.00 179.24 176.26 1jww h LEU 57 N -0.56 0.64 -0.91 1.55 8.10 -1.53 0.66 115.31 123.26 1jww h LEU 57 Ca -0.03 -0.34 0.17 0.00 0.11 0.00 0.00 57.88 57.79 1jww h LEU 57 Cb 0.42 -0.17 -0.17 0.00 -0.44 0.00 0.00 40.66 40.29 1jww h LEU 57 CO 0.05 0.83 -0.27 0.50 -4.11 0.00 0.00 178.44 175.45 1jww h LYS 58 N 0.44 -0.01 -0.67 0.17 3.64 -1.06 -0.96 116.57 118.12 1jww h LYS 58 Ca 0.09 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1jww h LYS 58 Cb 0.54 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1jww h LYS 58 CO 0.03 -0.01 0.38 1.49 -2.27 0.00 0.00 179.45 179.07 1jww h GLU 59 N -0.01 0.69 -0.24 1.90 4.22 0.15 0.23 114.58 121.53 1jww h GLU 59 Ca 0.41 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.86 1jww h GLU 59 Cb 0.65 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1jww h GLU 59 CO -0.93 0.46 -0.17 0.00 -2.18 0.00 0.00 179.01 176.19 1jww h ALA 60 N 1.34 -0.00 -0.34 2.92 0.00 0.18 0.15 119.26 123.51 1jww h ALA 60 Ca 0.29 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jww h ALA 60 Cb 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jww h ALA 60 CO -0.17 -0.59 0.18 0.28 0.00 0.00 0.00 179.25 178.95 1jww h VAL 61 N -0.16 1.14 -0.36 0.00 2.07 -0.56 -1.08 116.25 117.30 1jww h VAL 61 Ca 0.13 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1jww h VAL 61 Cb 0.36 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1jww h VAL 61 CO -0.33 0.15 -0.15 -0.78 0.02 0.00 0.00 177.57 176.47 1jww h ASP 62 N 0.42 -0.53 -0.60 0.57 1.82 0.09 -0.79 116.42 117.40 1jww h ASP 62 Ca 0.12 0.13 0.02 0.00 -0.39 0.00 0.00 57.03 56.91 1jww h ASP 62 Cb 0.08 0.30 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 1jww h ASP 62 CO -0.02 -0.19 0.38 0.50 -1.61 0.00 0.00 179.24 178.30 1jww h LYS 63 N -0.09 0.73 -1.01 0.28 1.63 -0.62 -1.41 116.57 116.09 1jww h LYS 63 Ca 0.18 -0.04 0.25 0.00 -0.85 0.00 0.00 60.65 60.19 1jww h LYS 63 Cb 0.36 -0.17 -0.12 0.00 -0.60 0.00 0.00 32.23 31.71 1jww h LYS 63 CO -0.42 0.49 0.61 1.25 -3.45 0.00 0.00 179.45 177.92 1jww h LEU 64 N 0.76 0.63 0.00 5.20 7.12 0.18 -3.46 115.31 125.74 1jww h LEU 64 Ca 0.23 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.37 1jww h LEU 64 Cb -0.03 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1jww h LEU 64 CO -0.08 0.09 0.00 0.61 -0.13 0.00 0.00 178.44 178.93 1jww n GLY 65 N -1.34 1.12 3.14 3.75 0.00 -0.53 -5.10 105.19 106.24 1jww n GLY 65 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.49 0.77 0.15 1.61 1.13 -1.19 -4.98 117.35 113.35 1jww s TYR 66 Ca 0.00 -1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 54.51 1jww s TYR 66 Cb 0.00 -0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 40.34 1jww s TYR 66 CO 0.00 -0.39 0.37 0.15 -2.51 0.00 0.00 175.55 173.18 1jww s LYS 67 N -3.96 3.59 0.04 -3.49 -0.14 -0.13 -3.15 119.74 112.49 1jww s LYS 67 Ca 0.16 -0.16 0.04 0.00 -1.36 0.00 0.00 55.97 54.65 1jww s LYS 67 Cb 0.07 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 1jww s LYS 67 CO -0.03 0.46 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.73 1jww s LEU 68 N -2.81 2.18 0.04 3.17 2.96 -1.26 -1.59 118.68 121.37 1jww s LEU 68 Ca 0.40 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1jww s LEU 68 Cb -0.12 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1jww s LEU 68 CO 0.26 -0.03 0.36 -0.54 -1.32 0.00 0.00 176.35 175.08 1jww s LYS 69 N -1.16 0.86 0.89 1.98 -0.14 -1.15 -4.96 119.74 116.06 1jww s LYS 69 Ca -0.01 -0.42 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 1jww s LYS 69 Cb -0.08 0.38 0.13 0.00 -1.68 0.00 0.00 37.83 36.58 1jww s LYS 69 CO 0.01 -0.29 1.15 -1.17 -0.76 0.00 0.00 175.35 174.29 1jww s LEU 70 N -2.01 2.91 0.03 3.17 2.96 -1.26 -0.29 118.68 124.18 1jww s LEU 70 Ca -0.05 2.18 -0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1jww s LEU 70 Cb -0.01 -4.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.11 1jww s LEU 70 CO -0.03 -2.95 -0.01 1.17 -1.32 0.00 0.00 176.35 173.22 1jww n LYS 71 N -4.04 0.01 0.00 1.98 4.81 0.73 -4.52 118.16 117.12 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 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 3.38 0.00 0.63 3.14 0.00 -1.24 -5.05 105.19 106.05 1jww n GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.70 -2.10 1.61 1.02 -1.26 -4.89 120.64 113.32 1jww n GLU 73 Ca 0.00 1.30 -0.41 0.00 -0.02 0.00 0.00 57.16 58.03 1jww n GLU 73 Cb 0.00 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 1jww n GLU 73 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1jww s GLN 74 N -4.75 4.33 0.10 3.49 0.74 -1.21 -4.56 119.66 117.78 1jww s GLN 74 Ca 0.00 2.20 0.00 0.00 0.05 0.00 0.00 55.36 57.61 1jww s GLN 74 Cb 0.00 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1jww s GLN 74 CO 0.00 -0.30 0.00 -3.47 -0.55 0.00 0.00 175.29 170.97 1jww n ASP 75 N 1.95 -3.80 0.10 6.67 -0.08 -1.26 -4.89 116.55 115.23 1jww n ASP 75 Ca 0.04 0.33 0.01 0.00 -1.51 0.00 0.00 54.79 53.67 1jww n ASP 75 Cb 0.41 -0.51 0.32 0.00 2.34 0.00 0.00 41.12 43.69 1jww n ASP 75 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1jww h SER 76 N 0.73 0.25 0.00 1.67 0.87 -1.91 -3.45 113.55 111.71 1jww h SER 76 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1jww h SER 76 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1jww h SER 76 CO 0.00 0.49 0.00 2.30 -0.53 0.00 0.00 176.83 179.09 1jww n ILE 77 N -4.18 0.00 0.02 2.23 -5.35 -1.26 -5.14 119.36 105.68 1jww n ILE 77 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1jww n ILE 77 Cb 0.35 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 0.00 -0.42 6.28 2.13 -1.26 -5.08 120.64 122.28 1jww n GLU 78 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jww n GLU 78 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 31.70 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 1.84 -3.62 0.60 8.31 0.00 -1.26 -5.06 105.19 106.01 1jww n GLY 79 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.34 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86