#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 0.63 0.02 2.52 -4.23 -1.26 -4.65 115.64 108.67 1jww s THR 2 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1jww s THR 2 Cb 0.00 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1jww s THR 2 CO 0.00 -0.19 -0.05 -0.70 -0.54 0.00 0.00 174.62 173.14 1jww s GLU 3 N -3.98 0.37 0.03 3.99 2.12 0.71 -4.91 118.70 117.03 1jww s GLU 3 Ca 0.32 -0.50 -0.16 0.00 0.36 0.00 0.00 54.97 54.99 1jww s GLU 3 Cb 0.07 -0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 1jww s GLU 3 CO 0.10 0.02 0.47 0.15 -0.54 0.00 0.00 175.26 175.47 1jww s LYS 4 N -1.06 4.03 0.00 4.30 -0.14 -1.26 -0.63 119.74 124.98 1jww s LYS 4 Ca -0.08 0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 55.02 1jww s LYS 4 Cb -0.07 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1jww s LYS 4 CO -0.00 0.67 0.08 0.00 -0.76 0.00 0.00 175.35 175.33 1jww s ALA 5 N -1.10 -0.17 0.10 5.17 0.00 0.64 -4.63 121.76 121.78 1jww s ALA 5 Ca 0.26 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.10 1jww s ALA 5 Cb -0.18 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1jww s ALA 5 CO 0.16 -0.16 -0.23 -1.21 0.00 0.00 0.00 175.76 174.31 1jww s GLU 6 N -1.16 1.26 -0.00 0.00 2.02 -1.26 -0.60 118.70 118.96 1jww s GLU 6 Ca -0.13 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.65 1jww s GLU 6 Cb -0.07 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.57 1jww s GLU 6 CO 0.00 0.37 0.02 -0.06 0.02 0.00 0.00 175.26 175.62 1jww s PHE 7 N -1.09 0.06 -0.15 1.61 0.40 0.24 -0.38 117.98 118.68 1jww s PHE 7 Ca 0.09 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1jww s PHE 7 Cb -0.10 -0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 1jww s PHE 7 CO 0.04 -0.10 0.00 0.34 0.70 0.00 0.00 175.22 176.21 1jww s ASP 8 N -0.58 5.15 -0.29 1.36 -1.08 0.61 -1.35 116.67 120.49 1jww s ASP 8 Ca -0.06 -0.00 -0.05 0.00 -0.52 0.00 0.00 52.55 51.91 1jww s ASP 8 Cb -0.04 -1.78 0.02 0.00 -1.46 0.00 0.00 42.92 39.66 1jww s ASP 8 CO -0.00 0.21 0.04 -0.63 0.52 0.00 0.00 175.17 175.32 1jww s ILE 9 N 0.10 3.60 -0.51 4.11 -1.09 -1.22 -3.10 121.20 123.09 1jww s ILE 9 Ca 0.02 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.46 1jww s ILE 9 Cb -0.13 -2.89 0.13 0.00 -1.58 0.00 0.00 42.46 37.99 1jww s ILE 9 CO 0.02 0.06 0.38 -1.61 -1.23 0.00 0.00 174.94 172.57 1jww s GLU 10 N 1.43 2.56 0.00 2.79 2.02 -1.20 -4.85 118.70 121.44 1jww s GLU 10 Ca 0.01 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1jww s GLU 10 Cb -0.18 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1jww s GLU 10 CO 0.01 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.49 1jww n GLY 11 N 4.70 -1.43 3.01 -1.39 0.00 -1.26 -3.06 105.19 105.76 1jww n GLY 11 Ca -0.05 0.49 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 1.13 -0.43 1.61 0.23 -1.26 -5.09 119.30 115.50 1jww s MET 12 Ca 0.00 -0.34 0.07 0.00 -1.03 0.00 0.00 55.69 54.39 1jww s MET 12 Cb 0.00 -1.03 0.24 0.00 -1.53 0.00 0.00 34.83 32.51 1jww s MET 12 CO 0.00 0.11 0.63 0.25 -2.03 0.00 0.00 175.02 173.98 1jww n THR 13 N 3.38 -0.49 -3.88 3.16 -2.24 -1.26 -4.86 114.28 108.09 1jww n THR 13 Ca -0.19 -3.04 -0.09 0.00 -2.27 0.00 0.00 64.05 58.46 1jww n THR 13 Cb 0.54 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jww h ALA 15 N 2.62 0.09 -0.02 0.00 0.00 -1.95 0.15 119.26 120.14 1jww h ALA 15 Ca -0.33 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1jww h ALA 15 Cb 1.22 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1jww h ALA 15 CO 0.52 -0.54 -0.39 0.00 0.00 0.00 0.00 179.25 178.84 1jww h ALA 16 N 1.12 1.31 0.46 0.00 0.00 -1.98 0.27 119.26 120.45 1jww h ALA 16 Ca 0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1jww h ALA 16 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jww h ALA 16 CO -0.37 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.17 1jww n ALA 18 N -2.68 0.16 0.06 0.00 0.00 0.35 -0.36 120.51 118.05 1jww n ALA 18 Ca -0.09 1.03 0.03 0.00 0.00 0.00 0.00 53.44 54.42 1jww n ALA 18 Cb 0.28 -0.59 0.42 0.00 0.00 0.00 0.00 19.45 19.56 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 0.36 -0.06 0.00 -0.00 -0.81 -1.45 115.58 113.63 1jww h ASN 19 Ca 0.43 -0.03 -0.03 0.00 -0.00 0.00 0.00 56.30 56.68 1jww h ASN 19 Cb 0.67 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.90 1jww h ASN 19 CO -0.98 0.35 -0.07 -0.09 -0.00 0.00 0.00 177.43 176.64 1jww h ARG 20 N 0.41 0.15 -0.66 6.67 1.12 0.11 -3.17 114.38 119.00 1jww h ARG 20 Ca 0.10 -0.08 0.13 0.00 -1.11 0.00 0.00 59.98 59.02 1jww h ARG 20 Cb 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 29.94 1jww h ARG 20 CO -0.01 0.61 -0.24 0.82 -3.11 0.00 0.00 179.97 178.04 1jww h ILE 21 N -0.31 0.25 -0.85 1.20 2.04 -0.73 0.13 117.51 119.22 1jww h ILE 21 Ca 0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.06 1jww h ILE 21 Cb 0.59 0.25 -0.16 0.00 -0.74 0.00 0.00 36.82 36.76 1jww h ILE 21 CO 0.02 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.72 1jww h GLU 22 N -0.06 0.03 -0.10 2.37 5.08 -1.26 0.29 114.58 120.93 1jww h GLU 22 Ca 0.30 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1jww h GLU 22 Cb 0.53 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jww h GLU 22 CO -0.71 0.02 -0.14 0.87 -1.00 0.00 0.00 179.01 178.05 1jww h LYS 23 N 0.03 0.27 -0.91 2.33 6.56 -1.07 0.23 116.57 124.01 1jww h LYS 23 Ca 0.44 -0.16 0.06 0.00 -1.06 0.00 0.00 60.65 59.94 1jww h LYS 23 Cb 0.76 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.37 1jww h LYS 23 CO -0.84 0.73 0.59 -0.09 -2.06 0.00 0.00 179.45 177.78 1jww h ARG 24 N -0.16 1.01 0.16 3.15 9.65 0.41 -1.16 114.38 127.44 1jww h ARG 24 Ca 0.01 -0.06 -0.26 0.00 -1.10 0.00 0.00 59.98 58.57 1jww h ARG 24 Cb 0.70 -0.23 0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1jww h ARG 24 CO 0.03 0.67 -1.11 -0.07 2.80 0.00 0.00 179.97 182.30 1jww h LEU 25 N 1.04 0.70 -2.11 3.80 3.38 -0.47 -3.19 115.31 118.47 1jww h LEU 25 Ca 0.39 -0.89 0.08 0.00 0.09 0.00 0.00 57.88 57.54 1jww h LEU 25 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jww h LEU 25 CO -0.14 1.53 0.32 -1.13 0.09 0.00 0.00 178.44 179.11 1jww h ASN 26 N -0.01 0.00 -0.92 -0.43 -1.24 -0.11 0.18 115.58 113.04 1jww h ASN 26 Ca -0.18 0.00 0.11 0.00 0.71 0.00 0.00 56.30 56.93 1jww h ASN 26 Cb 1.84 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.82 1jww h ASN 26 CO 0.21 0.00 0.59 0.50 -1.29 0.00 0.00 177.43 177.44 1jww h LYS 27 N 0.00 0.87 -6.72 6.67 3.64 -1.21 -3.43 116.57 116.39 1jww h LYS 27 Ca 0.12 -0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.93 1jww h LYS 27 Cb 0.76 -0.20 0.07 0.00 -0.41 0.00 0.00 32.23 32.45 1jww h LYS 27 CO -0.00 0.57 0.97 0.42 -2.27 0.00 0.00 179.45 179.14 1jww s ILE 28 N -5.83 2.00 -0.04 2.00 -1.09 0.62 -4.95 121.20 113.91 1jww s ILE 28 Ca -0.11 0.00 -0.24 0.00 -2.23 0.00 0.00 60.65 58.07 1jww s ILE 28 Cb 0.21 -3.00 -0.18 0.00 -1.58 0.00 0.00 42.46 37.91 1jww s ILE 28 CO 0.80 0.00 1.05 -0.33 -1.23 0.00 0.00 174.94 175.22 1jww h GLU 29 N 5.98 -0.15 -1.89 2.79 5.08 -1.86 -3.28 114.58 121.25 1jww h GLU 29 Ca -0.45 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 1jww h GLU 29 Cb 1.21 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1jww h GLU 29 CO 0.89 0.33 0.04 0.41 -1.00 0.00 0.00 179.01 179.68 1jww n GLY 30 N 0.42 3.10 3.83 -3.84 0.00 -1.26 -4.86 105.19 102.58 1jww n GLY 30 Ca -0.08 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.48 4.89 -0.06 1.61 0.11 -1.24 -0.21 120.40 125.03 1jww s VAL 31 Ca 0.25 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 1jww s VAL 31 Cb 0.15 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1jww s VAL 31 CO -0.02 0.19 -0.16 0.00 -3.33 0.00 0.00 175.10 171.78 1jww n ALA 32 N 0.60 2.09 -3.11 1.54 0.00 0.33 -4.95 120.51 117.02 1jww n ALA 32 Ca -0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 1jww n ALA 32 Cb 0.52 0.21 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 -6.02 -0.09 -0.42 0.00 0.01 -0.81 -5.00 114.94 102.61 1jww s ASN 33 Ca -0.15 -0.10 0.09 0.00 -0.71 0.00 0.00 52.86 51.99 1jww s ASN 33 Cb 0.04 0.29 0.30 0.00 0.41 0.00 0.00 41.25 42.28 1jww s ASN 33 CO 0.20 -0.47 0.66 0.00 -1.51 0.00 0.00 177.10 175.98 1jww n ALA 34 N 1.11 2.59 -1.55 0.60 0.00 -1.26 -0.34 120.51 121.65 1jww n ALA 34 Ca -0.21 -3.63 -0.41 0.00 0.00 0.00 0.00 53.44 49.19 1jww n ALA 34 Cb 0.57 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 2.76 -1.45 0.00 -0.04 -1.15 -4.73 135.00 131.16 1jww n PRO 35 Ca 0.24 -2.39 -0.31 0.00 -0.04 0.00 0.00 63.50 60.99 1jww n PRO 35 Cb 0.56 -3.14 0.07 0.00 -0.04 0.00 0.00 33.50 30.96 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 3.31 3.51 -0.02 0.52 -7.23 -1.25 -4.40 120.40 114.84 1jww s VAL 36 Ca 0.52 0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 61.19 1jww s VAL 36 Cb 0.15 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1jww s VAL 36 CO -0.05 -0.60 0.17 0.20 -0.31 0.00 0.00 175.10 174.50 1jww s ASN 37 N -3.33 6.27 -0.28 4.85 0.01 -0.24 -4.93 114.94 117.30 1jww s ASN 37 Ca 0.61 0.33 0.09 0.00 -0.71 0.00 0.00 52.86 53.18 1jww s ASN 37 Cb -0.17 -1.95 0.46 0.00 0.41 0.00 0.00 41.25 40.00 1jww s ASN 37 CO 0.53 0.27 1.19 2.22 -1.51 0.00 0.00 177.10 179.80 1jww n PHE 38 N 1.05 2.28 0.00 2.20 -1.74 -1.26 -4.45 117.46 115.54 1jww n PHE 38 Ca -0.12 -2.11 0.00 0.00 -0.56 0.00 0.00 57.45 54.66 1jww n PHE 38 Cb 0.53 -0.32 0.00 0.00 1.52 0.00 0.00 39.48 41.21 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 -0.73 0.00 0.93 1.98 0.00 -1.25 -4.16 120.51 117.28 1jww n ALA 39 Ca 0.38 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1jww n ALA 39 Cb 0.93 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.88 1jww n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jww n LEU 40 N -0.48 0.24 -1.80 0.00 4.77 -1.26 -4.94 117.00 113.53 1jww n LEU 40 Ca 0.00 0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1jww n LEU 40 Cb 0.00 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1jww n LEU 40 CO 0.00 -0.01 0.10 -0.62 -1.33 0.00 0.00 177.39 175.54 1jww n GLU 41 N -1.63 -3.31 -3.78 3.23 1.02 -1.26 -5.03 120.64 109.87 1jww n GLU 41 Ca 0.06 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1jww n GLU 41 Cb 0.36 -3.91 -0.14 0.00 -0.02 0.00 0.00 31.44 27.72 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 -3.13 -0.03 -0.12 2.62 -4.23 -1.26 -3.38 115.64 106.10 1jww s THR 42 Ca 0.23 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1jww s THR 42 Cb -0.10 -0.17 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 1jww s THR 42 CO 0.30 0.05 0.15 -0.69 -0.54 0.00 0.00 174.62 173.89 1jww s VAL 43 N 0.78 5.49 -0.12 2.29 1.01 -0.45 -1.08 120.40 128.31 1jww s VAL 43 Ca -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1jww s VAL 43 Cb -0.08 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1jww s VAL 43 CO -0.03 0.61 -0.04 -0.89 0.00 0.00 0.00 175.10 174.75 1jww s THR 44 N -0.95 0.81 -0.01 3.92 2.01 -1.26 -0.59 115.64 119.56 1jww s THR 44 Ca 0.15 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.95 1jww s THR 44 Cb -0.12 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1jww s THR 44 CO 0.04 0.24 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.32 1jww s VAL 45 N 1.79 1.59 -0.37 3.82 1.01 0.23 -2.94 120.40 125.53 1jww s VAL 45 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1jww s VAL 45 Cb -0.13 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1jww s VAL 45 CO -0.07 0.44 0.22 -0.70 0.00 0.00 0.00 175.10 174.99 1jww s GLU 46 N -0.50 2.99 0.14 2.72 2.12 0.54 -0.26 118.70 126.45 1jww s GLU 46 Ca 0.08 -0.98 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 1jww s GLU 46 Cb -0.08 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 1jww s GLU 46 CO -0.01 -0.64 0.21 1.52 -0.54 0.00 0.00 175.26 175.80 1jww s TYR 47 N 1.60 0.47 -0.15 5.30 1.13 0.20 -0.51 117.35 125.38 1jww s TYR 47 Ca 0.03 -0.85 -0.13 0.00 -1.41 0.00 0.00 57.07 54.71 1jww s TYR 47 Cb -0.19 -0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 40.47 1jww s TYR 47 CO 0.08 -0.64 0.27 0.54 -2.51 0.00 0.00 175.55 173.28 1jww s ASN 48 N -2.97 6.43 -1.38 -0.18 2.20 0.71 -0.20 114.94 119.54 1jww s ASN 48 Ca 0.17 0.50 -0.10 0.00 -0.94 0.00 0.00 52.86 52.49 1jww s ASN 48 Cb 0.05 -2.17 -0.07 0.00 -2.00 0.00 0.00 41.25 37.06 1jww s ASN 48 CO -0.01 0.15 2.62 -0.81 -2.94 0.00 0.00 177.10 176.11 1jww n PRO 49 N 3.32 3.09 0.00 3.55 -0.04 -1.26 -3.83 135.00 139.83 1jww n PRO 49 Ca -0.13 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1jww n PRO 49 Cb 0.52 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 4.13 0.00 0.04 0.54 -0.00 -1.26 -4.92 118.16 116.69 1jww n LYS 50 Ca 0.66 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.74 1jww n LYS 50 Cb 0.22 -0.29 -0.14 0.00 -0.00 0.00 0.00 35.03 34.83 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 0.32 -4.24 -1.58 4.57 -1.90 -3.50 114.58 108.26 1jww h GLU 51 Ca 0.00 -0.55 -0.17 0.00 -1.18 0.00 0.00 59.36 57.45 1jww h GLU 51 Cb 0.00 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 28.67 1jww h GLU 51 CO 0.00 1.26 -0.43 0.00 -1.18 0.00 0.00 179.01 178.66 1jww s ALA 52 N -2.54 0.65 0.42 2.92 0.00 -1.25 -4.85 121.76 117.10 1jww s ALA 52 Ca -0.19 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1jww s ALA 52 Cb 0.05 1.27 -0.01 0.00 0.00 0.00 0.00 23.12 24.43 1jww s ALA 52 CO 0.81 -0.69 0.12 -1.13 0.00 0.00 0.00 175.76 174.87 1jww n SER 53 N -0.32 1.62 -0.32 0.00 3.41 -1.26 -4.29 113.62 112.45 1jww n SER 53 Ca 0.01 -3.17 0.18 0.00 -0.26 0.00 0.00 58.87 55.62 1jww n SER 53 Cb 0.64 0.91 0.38 0.00 -0.26 0.00 0.00 64.21 65.88 1jww n SER 53 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jww h VAL 54 N 1.60 0.40 -0.88 -3.33 2.07 -2.00 -2.52 116.25 111.59 1jww h VAL 54 Ca -0.33 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1jww h VAL 54 Cb 1.22 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1jww h VAL 54 CO 0.54 0.07 0.45 0.28 0.02 0.00 0.00 177.57 178.93 1jww h SER 55 N 0.38 1.12 0.27 0.57 0.02 -1.97 0.75 113.55 114.69 1jww h SER 55 Ca 0.64 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 1jww h SER 55 Cb 1.32 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1jww h SER 55 CO -0.57 0.92 -0.13 0.44 -1.14 0.00 0.00 176.83 176.36 1jww h ASP 56 N 1.24 -0.31 -0.45 3.07 5.19 -1.86 0.20 116.42 123.51 1jww h ASP 56 Ca 0.31 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1jww h ASP 56 Cb 0.07 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1jww h ASP 56 CO -0.04 0.11 0.15 0.17 -3.12 0.00 0.00 179.24 176.50 1jww h LEU 57 N -0.78 0.65 -0.76 1.55 8.10 -1.46 -0.43 115.31 122.18 1jww h LEU 57 Ca -0.04 -0.20 0.16 0.00 0.11 0.00 0.00 57.88 57.91 1jww h LEU 57 Cb 0.51 -0.17 -0.14 0.00 -0.44 0.00 0.00 40.66 40.41 1jww h LEU 57 CO 0.06 0.68 -0.16 0.50 -4.11 0.00 0.00 178.44 175.41 1jww h LYS 58 N 0.59 0.01 -0.54 0.17 3.64 -0.86 -1.39 116.57 118.19 1jww h LYS 58 Ca 0.15 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1jww h LYS 58 Cb 0.25 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1jww h LYS 58 CO -0.01 0.01 0.20 1.49 -2.27 0.00 0.00 179.45 178.87 1jww h GLU 59 N 0.01 0.37 -0.17 1.90 4.22 0.10 0.29 114.58 121.31 1jww h GLU 59 Ca 0.37 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.84 1jww h GLU 59 Cb 0.59 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1jww h GLU 59 CO -0.77 0.25 -0.34 0.00 -2.18 0.00 0.00 179.01 175.96 1jww h ALA 60 N 1.36 -0.39 -0.00 2.92 0.00 -0.22 0.25 119.26 123.19 1jww h ALA 60 Ca 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jww h ALA 60 Cb 0.29 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jww h ALA 60 CO -0.26 -0.81 0.00 0.28 0.00 0.00 0.00 179.25 178.46 1jww h VAL 61 N -0.39 1.04 -0.45 0.00 2.07 -0.70 -0.77 116.25 117.04 1jww h VAL 61 Ca 0.10 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1jww h VAL 61 Cb 0.56 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1jww h VAL 61 CO -0.39 0.03 0.30 -0.78 0.02 0.00 0.00 177.57 176.75 1jww h ASP 62 N -0.05 0.37 0.57 0.57 1.82 0.12 -0.23 116.42 119.59 1jww h ASP 62 Ca 0.00 -0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1jww h ASP 62 Cb 0.05 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 1jww h ASP 62 CO -0.00 0.25 -1.03 0.50 -1.61 0.00 0.00 179.24 177.35 1jww h LYS 63 N 0.42 0.26 -0.86 0.28 3.64 -0.28 -2.53 116.57 117.50 1jww h LYS 63 Ca 0.19 -0.35 0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1jww h LYS 63 Cb 0.22 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 1jww h LYS 63 CO -0.05 1.09 0.47 -0.07 -2.27 0.00 0.00 179.45 178.62 1jww h LEU 64 N 0.12 0.61 0.00 5.20 3.38 0.44 -3.47 115.31 121.58 1jww h LEU 64 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jww h LEU 64 Cb 1.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1jww h LEU 64 CO 0.17 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1jww n GLY 65 N -1.32 3.58 3.89 0.83 0.00 -0.50 -5.11 105.19 106.55 1jww n GLY 65 Ca 0.17 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 0.26 1.61 1.13 -1.24 -4.90 117.35 117.75 1jww s TYR 66 Ca 0.00 0.96 0.06 0.00 -1.41 0.00 0.00 57.07 56.68 1jww s TYR 66 Cb 0.00 -2.41 -0.03 0.00 -1.10 0.00 0.00 41.96 38.42 1jww s TYR 66 CO 0.00 -0.30 0.35 0.15 -2.51 0.00 0.00 175.55 173.24 1jww s LYS 67 N -4.57 3.31 0.04 -3.49 1.02 -1.17 -3.11 119.74 111.77 1jww s LYS 67 Ca 0.50 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1jww s LYS 67 Cb -0.10 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1jww s LYS 67 CO 0.43 0.37 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.99 1jww s LEU 68 N -3.99 2.24 0.01 3.17 2.96 -1.26 -3.24 118.68 118.57 1jww s LEU 68 Ca 0.36 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1jww s LEU 68 Cb -0.09 -0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.52 1jww s LEU 68 CO 0.29 -0.21 0.43 -0.75 -1.32 0.00 0.00 176.35 174.79 1jww s LYS 69 N -1.49 0.87 0.83 1.98 2.47 -1.18 -4.97 119.74 118.25 1jww s LYS 69 Ca -0.10 -0.19 -0.13 0.00 -1.56 0.00 0.00 55.97 53.99 1jww s LYS 69 Cb -0.10 0.39 0.10 0.00 -1.46 0.00 0.00 37.83 36.76 1jww s LYS 69 CO 0.00 -0.28 1.20 -1.17 0.16 0.00 0.00 175.35 175.26 1jww s LEU 70 N -1.64 3.09 0.00 5.43 2.96 -1.26 -0.28 118.68 126.97 1jww s LEU 70 Ca -0.09 2.35 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1jww s LEU 70 Cb -0.02 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.08 1jww s LEU 70 CO 0.02 -2.77 0.00 1.17 -1.32 0.00 0.00 176.35 173.45 1jww n LYS 71 N -3.47 0.00 0.00 1.98 4.81 0.49 -4.62 118.16 117.34 1jww n LYS 71 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1jww n LYS 71 Cb 0.51 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.37 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 2.74 -1.47 1.17 3.14 0.00 -1.24 -5.04 105.19 104.50 1jww n GLY 72 Ca 0.00 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.60 1jww n GLY 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jww n GLU 73 N 0.00 -2.24 -3.77 1.61 0.28 -1.26 -4.87 120.64 110.38 1jww n GLU 73 Ca 0.00 1.65 -0.31 0.00 -0.16 0.00 0.00 57.16 58.34 1jww n GLU 73 Cb 0.00 -2.81 -0.04 0.00 1.43 0.00 0.00 31.44 30.01 1jww n GLU 73 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1jww s GLN 74 N -3.04 3.55 0.07 3.44 -2.07 -1.26 -4.51 119.66 115.84 1jww s GLN 74 Ca 0.00 -0.22 -0.31 0.00 -1.82 0.00 0.00 55.36 53.01 1jww s GLN 74 Cb 0.00 -2.93 -0.10 0.00 -1.09 0.00 0.00 33.01 28.89 1jww s GLN 74 CO 0.00 0.53 1.91 -3.47 -1.32 0.00 0.00 175.29 172.94 1jww n ASP 75 N 0.22 4.10 -3.76 12.60 -0.08 -1.26 -4.96 116.55 123.41 1jww n ASP 75 Ca -0.04 0.94 -0.14 0.00 -1.51 0.00 0.00 54.79 54.04 1jww n ASP 75 Cb 0.51 -1.53 -0.15 0.00 2.34 0.00 0.00 41.12 42.29 1jww n ASP 75 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1jww s SER 76 N 3.63 0.01 -0.46 1.67 0.15 -1.26 -5.12 113.70 112.32 1jww s SER 76 Ca 0.86 0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1jww s SER 76 Cb -0.46 0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.04 1jww s SER 76 CO 0.40 -0.14 0.25 0.27 1.20 0.00 0.00 173.24 175.22 1jww s ILE 77 N 1.17 1.71 -0.39 6.45 -4.36 -1.26 -5.08 121.20 119.45 1jww s ILE 77 Ca -0.09 -2.77 -0.29 0.00 -0.26 0.00 0.00 60.65 57.24 1jww s ILE 77 Cb -0.12 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1jww s ILE 77 CO -0.05 -0.88 1.45 -0.70 0.24 0.00 0.00 174.94 175.01 1jww s GLU 78 N 0.16 3.59 -0.13 0.37 2.12 -1.26 -4.97 118.70 118.57 1jww s GLU 78 Ca 0.18 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.26 1jww s GLU 78 Cb -0.24 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.07 1jww s GLU 78 CO -0.00 -1.55 1.76 0.20 -0.54 0.00 0.00 175.26 175.14 1jww s GLY 79 N 4.07 1.25 0.00 -1.50 0.00 -1.26 -5.37 107.32 104.51 1jww s GLY 79 Ca 0.63 0.78 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1jww s GLY 79 CO 0.32 3.20 0.00 0.54 0.00 0.00 0.00 173.10 177.16