#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 2.76 0.04 2.52 -4.23 -1.26 -4.49 115.64 110.97 1jww s THR 2 Ca 0.00 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1jww s THR 2 Cb 0.00 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 1jww s THR 2 CO 0.00 0.00 -0.07 -0.70 -0.54 0.00 0.00 174.62 173.31 1jww s GLU 3 N -4.25 0.48 -0.15 3.99 2.12 0.77 -4.90 118.70 116.76 1jww s GLU 3 Ca 0.51 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 1jww s GLU 3 Cb -0.06 -0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.07 1jww s GLU 3 CO 0.30 0.03 0.22 0.15 -0.54 0.00 0.00 175.26 175.43 1jww s LYS 4 N -1.51 4.07 -0.00 4.30 -0.14 -1.26 -0.86 119.74 124.34 1jww s LYS 4 Ca -0.11 -0.02 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 1jww s LYS 4 Cb -0.10 -3.37 -0.01 0.00 -1.68 0.00 0.00 37.83 32.68 1jww s LYS 4 CO 0.00 0.39 -0.07 0.00 -0.76 0.00 0.00 175.35 174.90 1jww s ALA 5 N 0.06 0.60 0.07 5.17 0.00 -0.08 -4.40 121.76 123.19 1jww s ALA 5 Ca 0.14 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.87 1jww s ALA 5 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1jww s ALA 5 CO 0.03 0.14 -0.26 -1.21 0.00 0.00 0.00 175.76 174.46 1jww s GLU 6 N -0.21 1.72 0.01 0.00 2.02 -1.25 -0.65 118.70 120.34 1jww s GLU 6 Ca 0.03 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 53.87 1jww s GLU 6 Cb -0.03 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1jww s GLU 6 CO -0.00 0.50 -0.05 -0.06 0.02 0.00 0.00 175.26 175.67 1jww s PHE 7 N -0.88 0.41 -0.12 1.61 0.40 0.13 -0.22 117.98 119.31 1jww s PHE 7 Ca 0.13 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1jww s PHE 7 Cb -0.10 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.14 1jww s PHE 7 CO 0.03 -0.04 0.01 0.34 0.70 0.00 0.00 175.22 176.26 1jww s ASP 8 N -0.57 5.24 -0.09 1.36 -1.08 0.84 -1.45 116.67 120.91 1jww s ASP 8 Ca -0.03 0.08 0.02 0.00 -0.52 0.00 0.00 52.55 52.10 1jww s ASP 8 Cb -0.04 -1.65 -0.02 0.00 -1.46 0.00 0.00 42.92 39.75 1jww s ASP 8 CO -0.00 0.29 -0.15 -0.63 0.52 0.00 0.00 175.17 175.20 1jww s ILE 9 N -0.36 2.93 -0.22 4.11 -1.09 -1.25 -2.31 121.20 123.00 1jww s ILE 9 Ca 0.07 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1jww s ILE 9 Cb -0.12 -2.18 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 1jww s ILE 9 CO 0.02 0.56 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.62 1jww s GLU 10 N -0.15 1.66 0.00 2.79 2.02 -0.84 -4.92 118.70 119.26 1jww s GLU 10 Ca -0.01 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1jww s GLU 10 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1jww s GLU 10 CO 0.03 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1jww n GLY 11 N 4.70 2.50 3.80 -1.39 0.00 -1.26 -2.35 105.19 111.18 1jww n GLY 11 Ca -0.12 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 2.91 0.00 1.61 0.23 -1.26 -5.05 119.30 117.75 1jww s MET 12 Ca 0.00 1.08 0.00 0.00 -1.03 0.00 0.00 55.69 55.74 1jww s MET 12 Cb 0.00 -1.98 0.00 0.00 -1.53 0.00 0.00 34.83 31.32 1jww s MET 12 CO 0.00 -1.12 0.11 2.41 -2.03 0.00 0.00 175.02 174.39 1jww n THR 13 N -2.88 0.00 0.00 3.16 -1.04 -1.26 -5.04 114.28 107.22 1jww n THR 13 Ca 0.08 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1jww n THR 13 Cb 0.53 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 0.00 -0.01 0.00 0.00 -1.26 -3.91 120.51 115.32 1jww n ALA 15 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1jww n ALA 15 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 1.26 0.03 0.45 0.00 0.00 -1.99 0.15 119.26 119.16 1jww h ALA 16 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1jww h ALA 16 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jww h ALA 16 CO 0.00 0.17 -0.44 0.00 0.00 0.00 0.00 179.25 178.98 1jww h ALA 18 N -0.63 0.04 -0.42 0.00 0.00 -1.90 0.27 119.26 116.62 1jww h ALA 18 Ca -0.05 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jww h ALA 18 Cb 0.80 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1jww h ALA 18 CO -0.06 -0.65 0.29 -0.91 0.00 0.00 0.00 179.25 177.92 1jww h ASN 19 N -0.12 0.17 -0.08 0.00 -0.26 -0.38 -0.78 115.58 114.13 1jww h ASN 19 Ca 0.26 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.78 1jww h ASN 19 Cb 0.56 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.80 1jww h ASN 19 CO -0.75 0.11 -0.82 -0.09 -1.06 0.00 0.00 177.43 174.82 1jww h ARG 20 N 0.19 0.69 -0.60 0.81 2.43 0.88 -3.13 114.38 115.65 1jww h ARG 20 Ca 0.19 -0.64 0.11 0.00 -0.81 0.00 0.00 59.98 58.83 1jww h ARG 20 Cb 0.52 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 1jww h ARG 20 CO -0.03 1.24 -0.28 0.82 -1.51 0.00 0.00 179.97 180.21 1jww h ILE 21 N 0.37 0.22 -0.87 1.20 1.08 0.56 -0.50 117.51 119.57 1jww h ILE 21 Ca -0.08 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.61 1jww h ILE 21 Cb 1.47 0.22 -0.15 0.00 -3.07 0.00 0.00 36.82 35.29 1jww h ILE 21 CO 0.17 0.00 0.06 -0.33 -0.69 0.00 0.00 178.15 177.36 1jww h GLU 22 N -0.12 0.09 0.05 2.37 5.08 -1.35 0.37 114.58 121.07 1jww h GLU 22 Ca 0.25 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.33 1jww h GLU 22 Cb 0.53 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1jww h GLU 22 CO -0.67 0.06 -1.13 -0.22 -1.00 0.00 0.00 179.01 176.05 1jww h LYS 23 N 0.09 0.65 -0.55 2.33 3.64 -1.45 0.22 116.57 121.50 1jww h LYS 23 Ca 0.51 -0.77 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1jww h LYS 23 Cb 0.99 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1jww h LYS 23 CO -0.76 1.34 0.31 -0.09 -2.27 0.00 0.00 179.45 177.98 1jww h ARG 24 N 0.33 0.75 0.15 1.90 9.65 0.68 -2.44 114.38 125.40 1jww h ARG 24 Ca -0.15 -0.07 -0.30 0.00 -1.10 0.00 0.00 59.98 58.36 1jww h ARG 24 Cb 1.79 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 30.22 1jww h ARG 24 CO 0.22 0.54 -1.40 -0.07 2.80 0.00 0.00 179.97 182.06 1jww h LEU 25 N 0.76 0.50 -1.84 3.80 3.38 -0.36 -3.26 115.31 118.30 1jww h LEU 25 Ca 0.20 -0.58 0.18 0.00 0.09 0.00 0.00 57.88 57.77 1jww h LEU 25 Cb 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1jww h LEU 25 CO -0.03 1.47 0.49 -1.13 0.09 0.00 0.00 178.44 179.32 1jww h ASN 26 N 0.09 0.14 -0.29 -0.43 -1.24 -0.26 0.86 115.58 114.46 1jww h ASN 26 Ca -0.20 0.01 0.08 0.00 0.71 0.00 0.00 56.30 56.90 1jww h ASN 26 Cb 2.03 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 41.05 1jww h ASN 26 CO 0.20 0.07 0.36 0.11 -1.29 0.00 0.00 177.43 176.88 1jww h LYS 27 N 0.15 0.00 -5.96 6.67 6.56 -1.48 -3.41 116.57 119.10 1jww h LYS 27 Ca 0.34 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.37 1jww h LYS 27 Cb 1.14 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1jww h LYS 27 CO -0.05 0.00 1.49 0.42 -2.06 0.00 0.00 179.45 179.25 1jww s ILE 28 N -4.55 3.07 0.43 1.86 -1.09 0.29 -4.86 121.20 116.36 1jww s ILE 28 Ca -0.04 0.07 0.15 0.00 -2.23 0.00 0.00 60.65 58.59 1jww s ILE 28 Cb 0.14 -3.10 0.34 0.00 -1.58 0.00 0.00 42.46 38.27 1jww s ILE 28 CO 0.51 -0.07 1.95 -0.33 -1.23 0.00 0.00 174.94 175.77 1jww h GLU 29 N 15.58 0.39 -0.60 2.79 4.39 -1.88 -0.18 114.58 135.07 1jww h GLU 29 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1jww h GLU 29 Cb 1.23 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1jww h GLU 29 CO 1.01 0.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.52 1jww n GLY 30 N -1.52 1.44 3.84 -3.84 0.00 -1.26 -4.93 105.19 98.91 1jww n GLY 30 Ca 0.12 -0.39 -0.32 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 -1.68 4.45 -0.08 1.61 0.11 -0.08 -0.51 120.40 124.21 1jww s VAL 31 Ca 0.23 1.18 -0.02 0.00 -2.93 0.00 0.00 61.98 60.44 1jww s VAL 31 Cb 0.15 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1jww s VAL 31 CO 0.11 -0.67 -0.09 0.00 -3.33 0.00 0.00 175.10 171.12 1jww n ALA 32 N -1.63 2.27 -3.08 1.54 0.00 0.03 -4.90 120.51 114.73 1jww n ALA 32 Ca 0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 1jww n ALA 32 Cb 0.54 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.38 0.00 -0.39 0.00 0.01 -0.61 -5.02 114.94 103.55 1jww s ASN 33 Ca -0.11 -0.12 0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1jww s ASN 33 Cb 0.04 0.22 0.37 0.00 0.41 0.00 0.00 41.25 42.29 1jww s ASN 33 CO 0.15 -0.30 0.98 0.00 -1.51 0.00 0.00 177.10 176.42 1jww n ALA 34 N 1.77 1.44 -2.32 0.60 0.00 -1.26 -0.16 120.51 120.57 1jww n ALA 34 Ca -0.21 -2.49 -0.35 0.00 0.00 0.00 0.00 53.44 50.38 1jww n ALA 34 Cb 0.56 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1jww n ALA 34 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jww s PRO 35 N -1.44 3.23 0.83 0.00 0.04 -1.23 -4.64 135.00 131.78 1jww s PRO 35 Ca 0.30 -1.54 -0.12 0.00 0.04 0.00 0.00 61.00 59.68 1jww s PRO 35 Cb 0.37 -5.38 0.09 0.00 0.04 0.00 0.00 34.50 29.62 1jww s PRO 35 CO -0.05 -3.11 1.16 0.14 0.04 0.00 0.00 177.00 175.19 1jww s VAL 36 N 7.63 2.30 -0.31 -0.36 -7.23 -1.26 -4.49 120.40 116.68 1jww s VAL 36 Ca 0.61 0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 60.71 1jww s VAL 36 Cb 0.01 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1jww s VAL 36 CO 0.10 -0.11 0.56 0.20 -0.31 0.00 0.00 175.10 175.53 1jww s ASN 37 N -2.51 6.41 -0.42 4.85 0.01 -0.00 -4.93 114.94 118.34 1jww s ASN 37 Ca 0.69 0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 53.07 1jww s ASN 37 Cb -0.25 -2.29 0.08 0.00 0.41 0.00 0.00 41.25 39.20 1jww s ASN 37 CO 0.53 -0.44 2.67 2.22 -1.51 0.00 0.00 177.10 180.57 1jww n PHE 38 N 5.76 1.56 0.00 2.20 1.16 -1.26 -3.86 117.46 123.02 1jww n PHE 38 Ca -0.03 -1.95 0.00 0.00 -1.87 0.00 0.00 57.45 53.60 1jww n PHE 38 Cb 0.49 -1.32 0.00 0.00 -1.61 0.00 0.00 39.48 37.04 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 0.81 0.00 0.55 1.98 0.00 -1.25 -4.67 120.51 117.93 1jww n ALA 39 Ca 0.46 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.03 1jww n ALA 39 Cb 0.57 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.51 0.00 3.38 -1.93 -3.47 115.31 111.77 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 -0.54 -0.62 0.09 0.00 0.00 178.44 177.37 1jww n GLU 41 N -2.30 -5.07 -3.77 1.13 1.02 -1.25 -5.04 120.64 105.35 1jww n GLU 41 Ca 0.05 0.61 -0.14 0.00 -0.02 0.00 0.00 57.16 57.65 1jww n GLU 41 Cb 0.38 -4.94 -0.16 0.00 -0.02 0.00 0.00 31.44 26.70 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 -3.25 -0.05 -0.07 2.62 -4.23 -1.26 -3.94 115.64 105.45 1jww s THR 42 Ca 0.12 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1jww s THR 42 Cb -0.05 -0.11 -0.05 0.00 1.34 0.00 0.00 72.50 73.63 1jww s THR 42 CO 0.53 0.08 0.31 -0.69 -0.54 0.00 0.00 174.62 174.31 1jww s VAL 43 N 1.01 5.23 -0.16 2.29 1.01 -0.53 -0.82 120.40 128.42 1jww s VAL 43 Ca -0.08 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 1jww s VAL 43 Cb -0.12 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1jww s VAL 43 CO -0.03 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.68 1jww s THR 44 N -0.68 1.04 0.02 3.92 2.01 -1.26 -0.69 115.64 120.00 1jww s THR 44 Ca 0.20 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.66 1jww s THR 44 Cb -0.14 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1jww s THR 44 CO 0.08 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 1jww s VAL 45 N 1.66 2.85 -0.32 3.82 1.01 0.18 -3.54 120.40 126.06 1jww s VAL 45 Ca 0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1jww s VAL 45 Cb -0.15 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1jww s VAL 45 CO -0.08 0.39 0.04 -0.70 0.00 0.00 0.00 175.10 174.75 1jww s GLU 46 N -1.29 2.30 0.16 2.72 2.12 0.77 -0.90 118.70 124.58 1jww s GLU 46 Ca 0.14 -1.40 -0.11 0.00 0.36 0.00 0.00 54.97 53.97 1jww s GLU 46 Cb -0.11 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1jww s GLU 46 CO 0.04 -0.72 0.32 1.52 -0.54 0.00 0.00 175.26 175.89 1jww s TYR 47 N 1.21 0.25 -0.12 5.30 1.13 -0.04 -0.79 117.35 124.29 1jww s TYR 47 Ca -0.02 -0.62 -0.16 0.00 -1.41 0.00 0.00 57.07 54.87 1jww s TYR 47 Cb -0.20 0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 1jww s TYR 47 CO -0.02 -0.73 0.38 0.54 -2.51 0.00 0.00 175.55 173.21 1jww s ASN 48 N -2.93 6.58 -1.36 -0.18 2.20 0.34 -0.16 114.94 119.42 1jww s ASN 48 Ca 0.13 0.69 -0.10 0.00 -0.94 0.00 0.00 52.86 52.64 1jww s ASN 48 Cb 0.03 -2.23 -0.06 0.00 -2.00 0.00 0.00 41.25 36.98 1jww s ASN 48 CO -0.03 0.09 2.57 -0.81 -2.94 0.00 0.00 177.10 175.98 1jww n PRO 49 N 3.40 3.01 0.00 3.55 -0.04 -1.26 -3.78 135.00 139.87 1jww n PRO 49 Ca -0.10 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1jww n PRO 49 Cb 0.52 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 -0.01 0.54 2.85 -1.26 -4.91 118.16 119.71 1jww n LYS 50 Ca 0.64 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.83 1jww n LYS 50 Cb 0.24 -0.31 -0.13 0.00 -0.65 0.00 0.00 35.03 34.18 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 -2.67 0.63 -3.91 -1.58 4.07 -1.25 -5.00 120.64 110.93 1jww n GLU 51 Ca 0.00 0.28 -0.08 0.00 -0.06 0.00 0.00 57.16 57.30 1jww n GLU 51 Cb 0.25 -1.79 -0.03 0.00 -0.06 0.00 0.00 31.44 29.81 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 -2.65 -0.83 0.24 4.31 0.00 -1.26 -4.80 121.76 116.78 1jww s ALA 52 Ca -0.04 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1jww s ALA 52 Cb 0.08 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 1jww s ALA 52 CO 0.82 -0.96 0.10 -1.54 0.00 0.00 0.00 175.76 174.18 1jww s SER 53 N -2.96 0.97 0.31 0.00 1.04 -1.26 -4.42 113.70 107.39 1jww s SER 53 Ca 0.16 -1.38 0.07 0.00 0.48 0.00 0.00 55.95 55.28 1jww s SER 53 Cb -0.04 0.21 0.83 0.00 0.10 0.00 0.00 66.02 67.12 1jww s SER 53 CO 0.08 -0.75 1.72 -0.37 0.98 0.00 0.00 173.24 174.90 1jww h VAL 54 N 2.44 0.53 -0.35 5.02 -1.51 -1.99 -0.57 116.25 119.82 1jww h VAL 54 Ca -0.38 -0.18 -0.09 0.00 -1.23 0.00 0.00 66.70 64.82 1jww h VAL 54 Cb 1.25 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1jww h VAL 54 CO 0.59 0.10 -0.16 0.28 -1.23 0.00 0.00 177.57 177.15 1jww h SER 55 N 0.53 0.62 0.15 4.19 0.02 -1.99 -0.70 113.55 116.38 1jww h SER 55 Ca 0.61 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1jww h SER 55 Cb 1.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jww h SER 55 CO -0.49 0.80 -0.07 0.44 -1.14 0.00 0.00 176.83 176.37 1jww h ASP 56 N 0.57 -0.17 -0.25 3.07 3.32 -1.55 -3.09 116.42 118.32 1jww h ASP 56 Ca 0.09 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 1jww h ASP 56 Cb 0.60 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1jww h ASP 56 CO 0.04 0.31 -0.10 0.17 -1.72 0.00 0.00 179.24 177.94 1jww h LEU 57 N -0.71 0.62 -0.97 1.55 8.10 -1.18 0.27 115.31 122.98 1jww h LEU 57 Ca -0.02 -0.17 0.14 0.00 0.11 0.00 0.00 57.88 57.94 1jww h LEU 57 Cb 0.51 -0.17 -0.15 0.00 -0.44 0.00 0.00 40.66 40.41 1jww h LEU 57 CO 0.03 0.76 -0.40 1.17 -4.11 0.00 0.00 178.44 175.90 1jww n LYS 58 N -4.19 -0.24 -0.15 0.17 4.81 -0.28 -1.24 118.16 117.04 1jww n LYS 58 Ca 0.01 1.49 0.16 0.00 -0.87 0.00 0.00 58.31 59.10 1jww n LYS 58 Cb 0.34 -2.22 0.52 0.00 0.02 0.00 0.00 35.03 33.69 1jww n LYS 58 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jww h GLU 59 N 0.00 0.36 0.13 1.64 4.81 -0.37 0.16 114.58 121.32 1jww h GLU 59 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1jww h GLU 59 Cb 0.57 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1jww h GLU 59 CO -0.96 0.24 -0.13 0.00 -0.73 0.00 0.00 179.01 177.43 1jww h ALA 60 N 1.65 -0.26 -0.55 2.92 0.00 -1.03 0.76 119.26 122.75 1jww h ALA 60 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1jww h ALA 60 Cb 0.85 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1jww h ALA 60 CO -0.11 -0.66 0.22 0.28 0.00 0.00 0.00 179.25 178.98 1jww h VAL 61 N -0.29 1.22 -0.06 0.00 2.07 -1.01 -2.11 116.25 116.07 1jww h VAL 61 Ca 0.01 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1jww h VAL 61 Cb 0.28 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1jww h VAL 61 CO -0.04 0.27 -0.09 -0.78 0.02 0.00 0.00 177.57 176.95 1jww h ASP 62 N 0.76 -0.27 -0.62 0.57 1.82 -0.22 -0.89 116.42 117.57 1jww h ASP 62 Ca 0.18 0.05 0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1jww h ASP 62 Cb 0.20 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 1jww h ASP 62 CO -0.01 -0.13 0.41 0.50 -1.61 0.00 0.00 179.24 178.40 1jww h LYS 63 N -0.13 0.75 -0.77 0.28 3.64 -0.83 0.13 116.57 119.65 1jww h LYS 63 Ca 0.06 -0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 1jww h LYS 63 Cb 0.20 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1jww h LYS 63 CO -0.14 0.50 0.54 1.25 -2.27 0.00 0.00 179.45 179.33 1jww h LEU 64 N 0.77 0.10 0.00 5.20 7.12 -0.45 -3.46 115.31 124.60 1jww h LEU 64 Ca 0.24 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1jww h LEU 64 Cb 0.01 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1jww h LEU 64 CO -0.06 0.04 0.00 0.61 -0.13 0.00 0.00 178.44 178.90 1jww n GLY 65 N -1.64 1.63 3.30 3.75 0.00 0.45 -5.10 105.19 107.57 1jww n GLY 65 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.08 0.14 1.61 1.13 -1.21 -4.99 117.35 112.10 1jww s TYR 66 Ca 0.00 -0.45 0.04 0.00 -1.41 0.00 0.00 57.07 55.25 1jww s TYR 66 Cb 0.00 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1jww s TYR 66 CO 0.00 -0.67 0.16 0.15 -2.51 0.00 0.00 175.55 172.68 1jww s LYS 67 N -3.87 3.02 0.04 -3.49 1.02 -0.99 -2.91 119.74 112.56 1jww s LYS 67 Ca 0.08 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.35 1jww s LYS 67 Cb 0.03 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1jww s LYS 67 CO -0.08 0.51 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.55 1jww s LEU 68 N -2.96 2.17 0.01 3.17 2.96 -1.26 -1.98 118.68 120.80 1jww s LEU 68 Ca 0.31 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1jww s LEU 68 Cb -0.11 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 45.96 1jww s LEU 68 CO 0.24 0.04 0.17 -0.54 -1.32 0.00 0.00 176.35 174.94 1jww s LYS 69 N -1.15 0.57 0.78 1.98 -0.14 -0.98 -4.92 119.74 115.88 1jww s LYS 69 Ca 0.02 -0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 54.03 1jww s LYS 69 Cb -0.08 0.24 0.07 0.00 -1.68 0.00 0.00 37.83 36.38 1jww s LYS 69 CO 0.01 -0.15 1.17 -1.17 -0.76 0.00 0.00 175.35 174.45 1jww s LEU 70 N -1.64 3.16 -0.06 3.17 2.96 -1.26 -0.11 118.68 124.90 1jww s LEU 70 Ca -0.11 2.22 -0.05 0.00 -0.22 0.00 0.00 54.13 55.98 1jww s LEU 70 Cb -0.05 -4.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.04 1jww s LEU 70 CO -0.00 -2.42 -0.11 1.17 -1.32 0.00 0.00 176.35 173.66 1jww n LYS 71 N -3.21 0.18 0.00 1.98 4.81 0.69 -4.61 118.16 118.01 1jww n LYS 71 Ca 0.12 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1jww n LYS 71 Cb 0.51 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.76 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 2.58 -2.58 3.84 3.14 0.00 -1.14 -5.03 105.19 106.00 1jww n GLY 72 Ca -0.13 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 0.99 0.94 1.61 -1.05 -1.26 -3.88 118.70 116.04 1jww s GLU 73 Ca 0.00 -0.61 -0.12 0.00 -0.15 0.00 0.00 54.97 54.09 1jww s GLU 73 Cb 0.00 0.29 0.15 0.00 -0.44 0.00 0.00 34.13 34.14 1jww s GLU 73 CO 0.00 -0.46 1.09 1.14 0.95 0.00 0.00 175.26 177.98 1jww s GLN 74 N -2.37 0.92 -0.65 -4.83 -2.07 -1.26 -4.35 119.66 105.05 1jww s GLN 74 Ca 0.20 0.87 -0.26 0.00 -1.82 0.00 0.00 55.36 54.35 1jww s GLN 74 Cb -0.01 -1.77 -0.02 0.00 -1.09 0.00 0.00 33.01 30.12 1jww s GLN 74 CO 0.02 -2.48 1.87 0.34 -1.32 0.00 0.00 175.29 173.72 1jww s ASP 75 N -3.25 5.25 0.08 12.60 2.15 -1.26 -4.98 116.67 127.26 1jww s ASP 75 Ca 0.64 0.21 -0.27 0.00 0.43 0.00 0.00 52.55 53.57 1jww s ASP 75 Cb -0.19 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 39.84 1jww s ASP 75 CO 0.58 -2.42 0.85 -0.55 -0.17 0.00 0.00 175.17 173.46 1jww s SER 76 N 8.09 7.34 0.00 -0.34 0.15 -1.26 -5.07 113.70 122.62 1jww s SER 76 Ca 0.67 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.93 1jww s SER 76 Cb -0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1jww s SER 76 CO 0.18 -0.01 0.00 2.30 1.20 0.00 0.00 173.24 176.91 1jww n ILE 77 N 2.76 0.00 -4.16 6.45 -5.35 -1.26 -5.07 119.36 112.73 1jww n ILE 77 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1jww n ILE 77 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.00 6.28 2.13 -1.26 -5.04 120.64 122.75 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 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.66 0.00 8.31 0.00 -1.26 -5.34 105.19 107.55 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