#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 2.74 0.05 2.52 -4.23 -1.26 -4.58 115.64 110.88 1jww s THR 2 Ca 0.00 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1jww s THR 2 Cb 0.00 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1jww s THR 2 CO 0.00 0.00 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.40 1jww s GLU 3 N -4.59 0.55 -0.30 3.99 2.02 0.77 -4.94 118.70 116.20 1jww s GLU 3 Ca 0.57 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.58 1jww s GLU 3 Cb -0.09 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 33.89 1jww s GLU 3 CO 0.36 0.02 0.34 0.15 0.02 0.00 0.00 175.26 176.16 1jww s LYS 4 N -1.94 3.83 -0.06 1.61 -0.14 -1.26 -1.90 119.74 119.87 1jww s LYS 4 Ca -0.07 -0.19 0.03 0.00 -1.36 0.00 0.00 55.97 54.38 1jww s LYS 4 Cb -0.07 -3.72 -0.02 0.00 -1.68 0.00 0.00 37.83 32.34 1jww s LYS 4 CO -0.01 -0.36 -0.13 0.00 -0.76 0.00 0.00 175.35 174.09 1jww s ALA 5 N 2.01 2.70 0.04 5.17 0.00 -0.02 -4.38 121.76 127.29 1jww s ALA 5 Ca 0.13 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1jww s ALA 5 Cb -0.16 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1jww s ALA 5 CO 0.11 0.51 -0.13 -1.21 0.00 0.00 0.00 175.76 175.04 1jww s GLU 6 N -0.58 2.24 0.01 0.00 0.41 -1.26 -0.42 118.70 119.09 1jww s GLU 6 Ca 0.08 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1jww s GLU 6 Cb -0.11 -2.31 -0.01 0.00 -1.78 0.00 0.00 34.13 29.92 1jww s GLU 6 CO 0.01 0.55 -0.02 -0.06 -0.49 0.00 0.00 175.26 175.26 1jww s PHE 7 N -1.01 0.16 -0.15 1.61 0.40 0.21 -0.53 117.98 118.68 1jww s PHE 7 Ca 0.17 -0.15 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1jww s PHE 7 Cb -0.11 -0.11 -0.04 0.00 0.51 0.00 0.00 43.02 43.28 1jww s PHE 7 CO 0.08 -0.04 0.07 0.34 0.70 0.00 0.00 175.22 176.36 1jww s ASP 8 N -0.39 5.71 -0.19 1.36 2.15 0.63 -1.23 116.67 124.71 1jww s ASP 8 Ca -0.03 0.18 -0.04 0.00 0.43 0.00 0.00 52.55 53.09 1jww s ASP 8 Cb -0.03 -1.88 -0.02 0.00 -0.30 0.00 0.00 42.92 40.69 1jww s ASP 8 CO -0.00 0.27 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.62 1jww s ILE 9 N -0.22 3.78 -0.28 4.11 -1.09 -1.25 -2.62 121.20 123.64 1jww s ILE 9 Ca 0.08 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1jww s ILE 9 Cb -0.12 -2.69 0.07 0.00 -1.58 0.00 0.00 42.46 38.13 1jww s ILE 9 CO 0.01 0.45 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.49 1jww s GLU 10 N 0.91 2.16 0.00 2.79 0.41 -0.22 -4.93 118.70 119.82 1jww s GLU 10 Ca 0.00 -1.42 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1jww s GLU 10 Cb -0.14 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1jww s GLU 10 CO 0.01 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 174.56 1jww n GLY 11 N 4.43 0.06 3.88 -1.39 0.00 -1.26 -0.96 105.19 109.94 1jww n GLY 11 Ca -0.11 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 3.60 0.00 1.61 -1.94 -1.26 -5.06 119.30 116.25 1jww s MET 12 Ca 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 1jww s MET 12 Cb 0.00 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.71 1jww s MET 12 CO 0.00 -0.50 0.08 2.41 -0.01 0.00 0.00 175.02 177.00 1jww n THR 13 N -2.65 0.00 0.00 2.05 -1.04 -1.26 -5.01 114.28 106.37 1jww n THR 13 Ca 0.05 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.65 1jww n THR 13 Cb 0.54 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 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 0.75 0.04 0.00 0.00 -1.26 -3.36 120.51 116.68 1jww n ALA 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jww n ALA 15 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.54 -0.08 0.09 0.00 0.00 -1.99 -0.30 119.26 117.53 1jww h ALA 16 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jww h ALA 16 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jww h ALA 16 CO 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.63 1jww n ALA 18 N -2.61 -0.20 -0.27 0.00 0.00 -1.19 0.38 120.51 116.62 1jww n ALA 18 Ca -0.04 0.97 0.15 0.00 0.00 0.00 0.00 53.44 54.53 1jww n ALA 18 Cb 0.18 -0.40 0.43 0.00 0.00 0.00 0.00 19.45 19.66 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 0.57 0.16 0.00 -1.24 -0.89 -2.13 115.58 112.04 1jww h ASN 19 Ca 0.32 0.05 -0.30 0.00 0.71 0.00 0.00 56.30 57.07 1jww h ASN 19 Cb 0.57 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.57 1jww h ASN 19 CO -0.98 0.25 -1.51 -0.09 -1.29 0.00 0.00 177.43 173.80 1jww h ARG 20 N 0.58 0.33 -0.86 6.67 2.43 0.52 -3.28 114.38 120.77 1jww h ARG 20 Ca 0.48 -0.57 0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1jww h ARG 20 Cb 0.94 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 1jww h ARG 20 CO -0.22 1.27 -0.48 0.82 -1.51 0.00 0.00 179.97 179.85 1jww h ILE 21 N -0.11 0.02 -0.87 1.20 1.08 -0.25 -0.27 117.51 118.32 1jww h ILE 21 Ca -0.31 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.33 1jww h ILE 21 Cb 1.92 0.02 -0.16 0.00 -3.07 0.00 0.00 36.82 35.53 1jww h ILE 21 CO 0.13 0.00 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.02 1jww h GLU 22 N -0.08 -0.01 -0.01 2.37 5.08 -1.45 0.26 114.58 120.74 1jww h GLU 22 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1jww h GLU 22 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jww h GLU 22 CO -0.87 -0.01 -0.01 0.87 -1.00 0.00 0.00 179.01 177.99 1jww h LYS 23 N -0.01 0.02 -0.90 2.33 6.56 -1.23 0.25 116.57 123.59 1jww h LYS 23 Ca 0.40 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 60.04 1jww h LYS 23 Cb 0.63 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.23 1jww h LYS 23 CO -0.89 0.45 0.59 0.00 -2.06 0.00 0.00 179.45 177.54 1jww h ARG 24 N -0.41 1.02 -0.04 3.15 2.47 0.06 -0.23 114.38 120.41 1jww h ARG 24 Ca 0.00 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 1jww h ARG 24 Cb 0.44 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1jww h ARG 24 CO 0.00 0.67 -0.32 -0.07 0.56 0.00 0.00 179.97 180.81 1jww h LEU 25 N 1.05 0.35 -2.14 3.04 3.38 -0.50 -3.12 115.31 117.36 1jww h LEU 25 Ca 0.38 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1jww h LEU 25 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jww h LEU 25 CO -0.14 0.99 0.30 0.78 0.09 0.00 0.00 178.44 180.46 1jww h ASN 26 N -0.28 0.00 -0.98 -0.43 4.21 -0.02 -0.86 115.58 117.23 1jww h ASN 26 Ca -0.03 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.57 1jww h ASN 26 Cb 1.01 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.14 1jww h ASN 26 CO 0.07 0.00 0.63 0.50 -1.29 0.00 0.00 177.43 177.33 1jww h LYS 27 N 0.00 1.03 -6.70 0.81 3.64 -0.98 -3.43 116.57 110.94 1jww h LYS 27 Ca 0.10 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.85 1jww h LYS 27 Cb 0.69 -0.23 0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1jww h LYS 27 CO -0.00 0.68 0.69 -0.89 -2.27 0.00 0.00 179.45 177.66 1jww n ILE 28 N -4.54 1.17 -0.02 2.00 -0.00 -0.33 -4.94 119.36 112.70 1jww n ILE 28 Ca 0.16 -0.29 -0.13 0.00 -0.00 0.00 0.00 62.75 62.49 1jww n ILE 28 Cb 0.26 -1.67 -0.10 0.00 -0.00 0.00 0.00 39.64 38.13 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 4.11 0.05 -1.98 0.38 3.07 -1.88 -3.23 114.58 115.09 1jww h GLU 29 Ca -0.46 -0.03 -0.27 0.00 -0.50 0.00 0.00 59.36 58.10 1jww h GLU 29 Cb 1.26 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.07 1jww h GLU 29 CO 0.74 0.57 -0.13 0.41 -1.40 0.00 0.00 179.01 179.21 1jww n GLY 30 N 0.36 3.37 3.67 -3.84 0.00 -1.26 -4.85 105.19 102.64 1jww n GLY 30 Ca -0.08 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.06 3.74 0.07 1.61 0.11 -1.22 -0.66 120.40 123.99 1jww s VAL 31 Ca 0.59 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1jww s VAL 31 Cb 0.31 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1jww s VAL 31 CO -0.06 -0.15 0.00 0.00 -3.33 0.00 0.00 175.10 171.56 1jww n ALA 32 N -0.27 3.00 -3.11 1.54 0.00 -0.19 -4.88 120.51 116.61 1jww n ALA 32 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1jww n ALA 32 Cb 0.56 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.00 -0.39 0.00 0.01 -0.65 -5.03 114.94 103.21 1jww s ASN 33 Ca 0.00 -0.14 0.10 0.00 -0.71 0.00 0.00 52.86 52.11 1jww s ASN 33 Cb 0.00 0.22 0.31 0.00 0.41 0.00 0.00 41.25 42.19 1jww s ASN 33 CO 0.00 -0.35 0.71 0.00 -1.51 0.00 0.00 177.10 175.95 1jww n ALA 34 N 1.58 1.71 -1.91 0.60 0.00 -1.26 0.03 120.51 121.25 1jww n ALA 34 Ca -0.22 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 49.70 1jww n ALA 34 Cb 0.56 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 0.72 2.51 -1.21 0.00 -0.04 -1.23 -4.64 135.00 131.12 1jww n PRO 35 Ca 0.21 -2.63 -0.32 0.00 -0.04 0.00 0.00 63.50 60.72 1jww n PRO 35 Cb 0.62 -3.34 0.11 0.00 -0.04 0.00 0.00 33.50 30.85 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 4.95 2.80 -0.60 0.52 -7.23 -1.26 -4.51 120.40 115.07 1jww s VAL 36 Ca 0.54 0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 60.80 1jww s VAL 36 Cb 0.09 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.44 1jww s VAL 36 CO 0.03 -0.30 0.83 0.20 -0.31 0.00 0.00 175.10 175.55 1jww s ASN 37 N -2.85 6.21 0.00 4.85 0.01 0.20 -4.91 114.94 118.45 1jww s ASN 37 Ca 0.66 -1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 51.78 1jww s ASN 37 Cb -0.21 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1jww s ASN 37 CO 0.52 -1.23 1.86 2.22 -1.51 0.00 0.00 177.10 178.96 1jww n PHE 38 N 7.04 0.00 0.00 2.20 1.16 -1.26 -2.96 117.46 123.64 1jww n PHE 38 Ca -0.05 -0.86 0.00 0.00 -1.87 0.00 0.00 57.45 54.66 1jww n PHE 38 Cb 0.45 -0.64 0.00 0.00 -1.61 0.00 0.00 39.48 37.68 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 1.83 0.00 1.51 1.98 0.00 -1.21 -4.71 120.51 119.90 1jww n ALA 39 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1jww n ALA 39 Cb 0.46 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.43 1.34 -3.59 0.00 4.77 -1.15 -4.94 117.00 113.00 1jww n LEU 40 Ca 0.00 -0.48 -0.22 0.00 -0.03 0.00 0.00 56.01 55.29 1jww n LEU 40 Cb 0.00 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1jww n LEU 40 CO 0.00 0.24 0.13 -0.62 -1.33 0.00 0.00 177.39 175.81 1jww n GLU 41 N 0.06 -6.69 -3.73 3.23 1.02 -1.21 -4.98 120.64 108.34 1jww n GLU 41 Ca 0.19 0.78 -0.13 0.00 -0.02 0.00 0.00 57.16 57.98 1jww n GLU 41 Cb 0.32 -5.72 -0.14 0.00 -0.02 0.00 0.00 31.44 25.88 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 -3.39 -0.07 -0.21 2.62 -4.23 -1.26 -3.84 115.64 105.26 1jww s THR 42 Ca 0.28 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 1jww s THR 42 Cb -0.13 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.34 1jww s THR 42 CO 0.75 0.07 0.25 -0.69 -0.54 0.00 0.00 174.62 174.47 1jww s VAL 43 N 1.33 5.31 -0.28 2.29 1.01 -0.36 -0.63 120.40 129.06 1jww s VAL 43 Ca -0.08 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1jww s VAL 43 Cb -0.11 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1jww s VAL 43 CO -0.08 0.34 -0.00 -0.89 0.00 0.00 0.00 175.10 174.47 1jww s THR 44 N 0.92 3.11 -0.06 3.92 2.01 -1.26 -0.62 115.64 123.66 1jww s THR 44 Ca 0.13 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1jww s THR 44 Cb -0.13 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1jww s THR 44 CO 0.04 0.01 0.03 -0.69 -0.69 0.00 0.00 174.62 173.32 1jww s VAL 45 N 1.32 4.45 -0.35 3.82 1.01 0.44 -3.48 120.40 127.61 1jww s VAL 45 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1jww s VAL 45 Cb -0.18 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1jww s VAL 45 CO -0.02 0.53 0.14 -0.70 0.00 0.00 0.00 175.10 175.05 1jww s GLU 46 N -1.14 2.67 0.21 2.72 2.12 0.10 -0.84 118.70 124.55 1jww s GLU 46 Ca 0.16 -1.17 -0.04 0.00 0.36 0.00 0.00 54.97 54.28 1jww s GLU 46 Cb -0.12 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1jww s GLU 46 CO 0.05 -0.69 0.22 1.52 -0.54 0.00 0.00 175.26 175.82 1jww s TYR 47 N 1.44 0.92 -0.25 5.30 1.13 -0.80 -1.02 117.35 124.08 1jww s TYR 47 Ca -0.01 -1.19 -0.01 0.00 -1.41 0.00 0.00 57.07 54.45 1jww s TYR 47 Cb -0.20 -0.35 0.03 0.00 -1.10 0.00 0.00 41.96 40.34 1jww s TYR 47 CO 0.04 -0.72 -0.07 0.54 -2.51 0.00 0.00 175.55 172.83 1jww s ASN 48 N -3.11 4.27 -1.10 -0.18 4.22 0.17 -0.16 114.94 119.05 1jww s ASN 48 Ca 0.33 -0.87 -0.19 0.00 -2.14 0.00 0.00 52.86 49.99 1jww s ASN 48 Cb 0.05 -1.65 -0.06 0.00 1.28 0.00 0.00 41.25 40.86 1jww s ASN 48 CO 0.10 -0.12 2.01 -0.81 -2.04 0.00 0.00 177.10 176.24 1jww n PRO 49 N 4.66 2.13 0.00 3.55 -0.04 -1.26 -3.68 135.00 140.36 1jww n PRO 49 Ca -0.17 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1jww n PRO 49 Cb 0.47 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 6.98 0.05 -0.09 0.54 -0.00 -1.26 -4.93 118.16 119.45 1jww n LYS 50 Ca 0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.63 1jww n LYS 50 Cb 0.41 -0.58 -0.11 0.00 -0.00 0.00 0.00 35.03 34.76 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 0.00 0.00 -1.58 4.57 -1.89 -3.50 114.58 112.18 1jww h GLU 51 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1jww h GLU 51 Cb 0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 1jww h GLU 51 CO 0.00 0.89 -0.25 0.00 -1.18 0.00 0.00 179.01 178.47 1jww n ALA 52 N -3.20 0.25 -2.53 2.92 0.00 -1.26 -4.93 120.51 111.76 1jww n ALA 52 Ca -0.23 -1.15 -0.10 0.00 0.00 0.00 0.00 53.44 51.95 1jww n ALA 52 Cb 0.58 0.68 -0.08 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.41 0.10 0.29 0.00 1.04 -1.26 -4.53 113.70 106.93 1jww s SER 53 Ca 0.04 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.38 1jww s SER 53 Cb 0.00 0.42 0.74 0.00 0.10 0.00 0.00 66.02 67.28 1jww s SER 53 CO 0.03 -0.90 1.68 -0.37 0.98 0.00 0.00 173.24 174.66 1jww h VAL 54 N 2.57 0.41 -0.41 5.02 -1.51 -2.00 -1.37 116.25 118.96 1jww h VAL 54 Ca -0.33 -0.11 -0.13 0.00 -1.23 0.00 0.00 66.70 64.90 1jww h VAL 54 Cb 1.24 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1jww h VAL 54 CO 0.49 0.06 -0.25 0.28 -1.23 0.00 0.00 177.57 176.92 1jww h SER 55 N 0.33 0.94 0.75 4.19 0.02 -1.98 -1.35 113.55 116.43 1jww h SER 55 Ca 0.56 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1jww h SER 55 Cb 1.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1jww h SER 55 CO -0.57 1.16 -0.48 -0.78 -1.14 0.00 0.00 176.83 175.02 1jww h ASP 56 N 0.72 -1.21 -0.63 3.07 1.82 -1.78 -2.47 116.42 115.95 1jww h ASP 56 Ca 0.09 0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 1jww h ASP 56 Cb 0.83 0.36 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 1jww h ASP 56 CO 0.07 -0.73 0.10 0.17 -1.61 0.00 0.00 179.24 177.25 1jww h LEU 57 N -1.16 1.02 -0.90 2.28 8.10 -1.25 0.27 115.31 123.67 1jww h LEU 57 Ca -0.10 -0.24 0.25 0.00 0.11 0.00 0.00 57.88 57.90 1jww h LEU 57 Cb 0.93 -0.27 -0.16 0.00 -0.44 0.00 0.00 40.66 40.73 1jww h LEU 57 CO 0.09 1.01 0.13 0.50 -4.11 0.00 0.00 178.44 176.06 1jww h LYS 58 N 1.00 0.10 -0.95 0.17 3.11 -1.27 -0.74 116.57 117.99 1jww h LYS 58 Ca 0.20 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1jww h LYS 58 Cb 0.43 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.59 1jww h LYS 58 CO 0.01 0.07 0.63 1.49 -2.81 0.00 0.00 179.45 178.84 1jww h GLU 59 N 0.10 1.25 -0.27 1.90 4.22 0.04 0.24 114.58 122.06 1jww h GLU 59 Ca 0.56 -0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.97 1jww h GLU 59 Cb 1.14 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1jww h GLU 59 CO -0.76 0.83 -0.02 0.00 -2.18 0.00 0.00 179.01 176.88 1jww h ALA 60 N 1.35 0.23 -0.41 2.92 0.00 -0.96 0.14 119.26 122.53 1jww h ALA 60 Ca 0.35 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1jww h ALA 60 Cb -0.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jww h ALA 60 CO -0.08 -0.43 0.01 0.28 0.00 0.00 0.00 179.25 179.03 1jww h VAL 61 N 0.06 1.26 -0.74 0.00 2.07 -1.12 0.10 116.25 117.88 1jww h VAL 61 Ca 0.13 -1.00 0.12 0.00 0.82 0.00 0.00 66.70 66.77 1jww h VAL 61 Cb 0.18 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1jww h VAL 61 CO -0.24 0.34 0.34 -0.78 0.02 0.00 0.00 177.57 177.26 1jww h ASP 62 N 0.55 0.40 0.95 0.57 3.58 -0.01 -2.05 116.42 120.41 1jww h ASP 62 Ca 0.12 0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.43 1jww h ASP 62 Cb 0.47 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1jww h ASP 62 CO 0.02 0.20 -1.04 0.50 -2.88 0.00 0.00 179.24 176.03 1jww h LYS 63 N 0.54 0.03 -0.94 0.28 3.64 -0.61 -1.88 116.57 117.64 1jww h LYS 63 Ca 0.39 -0.06 0.22 0.00 -1.27 0.00 0.00 60.65 59.93 1jww h LYS 63 Cb 0.50 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 1jww h LYS 63 CO -0.33 1.02 0.62 -0.07 -2.27 0.00 0.00 179.45 178.41 1jww h LEU 64 N 0.01 0.44 0.00 5.20 3.38 -0.34 -3.46 115.31 120.53 1jww h LEU 64 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jww h LEU 64 Cb 1.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1jww h LEU 64 CO 0.14 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1jww n GLY 65 N -1.50 1.97 3.17 0.83 0.00 -0.70 -5.10 105.19 103.86 1jww n GLY 65 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.18 -0.11 1.61 -0.85 -1.18 -4.97 117.35 110.04 1jww s TYR 66 Ca 0.00 -0.57 -0.18 0.00 -0.52 0.00 0.00 57.07 55.81 1jww s TYR 66 Cb 0.00 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 1jww s TYR 66 CO 0.00 -0.48 0.46 -1.59 -1.52 0.00 0.00 175.55 172.42 1jww s LYS 67 N -3.43 4.30 0.06 -3.49 -2.85 -0.14 -3.27 119.74 110.93 1jww s LYS 67 Ca 0.02 0.42 0.07 0.00 -1.00 0.00 0.00 55.97 55.48 1jww s LYS 67 Cb 0.03 -3.42 -0.04 0.00 -2.06 0.00 0.00 37.83 32.35 1jww s LYS 67 CO -0.09 0.21 -0.15 -1.17 0.10 0.00 0.00 175.35 174.26 1jww s LEU 68 N 0.45 2.78 -0.02 2.77 2.96 -1.26 -1.06 118.68 125.30 1jww s LEU 68 Ca 0.25 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1jww s LEU 68 Cb -0.15 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1jww s LEU 68 CO 0.10 0.23 0.43 -0.75 -1.32 0.00 0.00 176.35 175.04 1jww s LYS 69 N -1.73 0.80 0.80 1.98 2.47 -1.08 -4.95 119.74 118.03 1jww s LYS 69 Ca 0.17 -0.05 -0.13 0.00 -1.56 0.00 0.00 55.97 54.40 1jww s LYS 69 Cb -0.11 0.37 0.08 0.00 -1.46 0.00 0.00 37.83 36.71 1jww s LYS 69 CO 0.08 -0.24 1.18 -1.17 0.16 0.00 0.00 175.35 175.36 1jww s LEU 70 N -1.31 3.13 0.04 5.43 2.96 -1.26 -0.27 118.68 127.40 1jww s LEU 70 Ca -0.13 2.26 -0.01 0.00 -0.22 0.00 0.00 54.13 56.03 1jww s LEU 70 Cb -0.03 -4.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.08 1jww s LEU 70 CO 0.06 -2.53 -0.03 1.17 -1.32 0.00 0.00 176.35 173.70 1jww n LYS 71 N -3.30 0.04 0.00 1.98 4.81 0.31 -4.63 118.16 117.38 1jww n LYS 71 Ca 0.13 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1jww n LYS 71 Cb 0.51 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.17 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 3.22 -0.10 0.97 3.14 0.00 -1.24 -5.05 105.19 106.13 1jww n GLY 72 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.25 0.11 1.61 1.02 -1.26 -4.79 120.64 115.09 1jww n GLU 73 Ca 0.00 1.85 -0.23 0.00 -0.02 0.00 0.00 57.16 58.75 1jww n GLU 73 Cb 0.00 -2.63 -0.16 0.00 -0.02 0.00 0.00 31.44 28.64 1jww n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jww h GLN 74 N -0.96 0.46 -5.86 3.49 4.20 -1.86 -3.42 115.11 111.16 1jww h GLN 74 Ca -0.14 -0.79 -0.27 0.00 0.06 0.00 0.00 58.65 57.51 1jww h GLN 74 Cb 0.93 0.30 0.08 0.00 0.30 0.00 0.00 27.48 29.08 1jww h GLN 74 CO 0.05 1.38 -0.67 -3.47 -0.67 0.00 0.00 178.83 175.45 1jww n ASP 75 N -3.84 -6.31 -2.41 1.46 -0.08 -1.26 -4.98 116.55 99.12 1jww n ASP 75 Ca -0.16 -0.66 -0.15 0.00 -1.51 0.00 0.00 54.79 52.31 1jww n ASP 75 Cb 1.02 -4.16 0.03 0.00 2.34 0.00 0.00 41.12 40.35 1jww n ASP 75 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jww n SER 76 N -2.54 3.43 0.00 1.67 7.64 -1.26 -5.04 113.62 117.52 1jww n SER 76 Ca -0.09 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1jww n SER 76 Cb 0.58 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1jww n SER 76 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jww n ILE 77 N -0.59 0.00 -3.83 0.44 2.08 -1.26 -5.18 119.36 111.02 1jww n ILE 77 Ca 0.27 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.50 1jww n ILE 77 Cb 0.86 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.77 1jww n ILE 77 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1jww s GLU 78 N 4.60 2.15 0.00 0.38 2.02 -1.26 -5.19 118.70 121.40 1jww s GLU 78 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1jww s GLU 78 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 34.13 34.84 1jww s GLU 78 CO 0.00 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1jww n GLY 79 N -0.52 -0.24 0.61 -1.39 0.00 -1.26 -5.26 105.19 97.12 1jww n GLY 79 Ca -0.07 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.48 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86