#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 0.53 0.01 1.55 -4.23 -1.26 -4.71 115.64 107.53 1jww s THR 2 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1jww s THR 2 Cb 0.00 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1jww s THR 2 CO 0.00 0.00 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.44 1jww s GLU 3 N -3.83 0.23 -0.46 3.99 2.02 0.11 -4.96 118.70 115.81 1jww s GLU 3 Ca 0.34 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 55.04 1jww s GLU 3 Cb 0.05 -0.13 0.12 0.00 0.10 0.00 0.00 34.13 34.27 1jww s GLU 3 CO 0.16 0.03 0.28 0.21 0.02 0.00 0.00 175.26 175.96 1jww s LYS 4 N -0.46 2.21 0.06 1.61 2.20 -1.26 -1.21 119.74 122.90 1jww s LYS 4 Ca -0.03 -1.91 -0.00 0.00 -0.36 0.00 0.00 55.97 53.67 1jww s LYS 4 Cb -0.03 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1jww s LYS 4 CO -0.00 -1.12 0.22 0.00 -0.36 0.00 0.00 175.35 174.08 1jww s ALA 5 N 1.03 4.00 0.12 3.13 0.00 0.12 -3.36 121.76 126.81 1jww s ALA 5 Ca 0.09 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.30 1jww s ALA 5 Cb -0.23 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1jww s ALA 5 CO -0.03 0.82 -0.24 -1.21 0.00 0.00 0.00 175.76 175.09 1jww s GLU 6 N -2.53 1.28 -0.01 0.00 2.02 -1.15 -0.80 118.70 117.50 1jww s GLU 6 Ca 0.35 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1jww s GLU 6 Cb -0.13 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.45 1jww s GLU 6 CO 0.28 0.39 -0.01 -0.06 0.02 0.00 0.00 175.26 175.87 1jww s PHE 7 N -1.13 0.22 -0.11 1.61 0.40 0.18 -0.40 117.98 118.74 1jww s PHE 7 Ca 0.11 -0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.34 1jww s PHE 7 Cb -0.10 -0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 1jww s PHE 7 CO 0.05 -0.04 0.16 -0.51 0.70 0.00 0.00 175.22 175.59 1jww s ASP 8 N 0.25 6.42 -0.03 1.36 1.11 0.91 -1.31 116.67 125.38 1jww s ASP 8 Ca -0.02 0.50 0.04 0.00 0.18 0.00 0.00 52.55 53.25 1jww s ASP 8 Cb -0.04 -2.09 -0.03 0.00 1.07 0.00 0.00 42.92 41.83 1jww s ASP 8 CO -0.01 0.39 -0.14 -0.63 1.18 0.00 0.00 175.17 175.96 1jww s ILE 9 N -0.98 3.05 -0.29 0.77 -1.09 -1.25 -1.79 121.20 119.61 1jww s ILE 9 Ca 0.15 -0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 1jww s ILE 9 Cb -0.12 -2.22 0.09 0.00 -1.58 0.00 0.00 42.46 38.62 1jww s ILE 9 CO 0.05 0.52 0.07 -1.61 -1.23 0.00 0.00 174.94 172.74 1jww s GLU 10 N -0.93 0.85 0.00 2.79 2.02 -0.55 -4.82 118.70 118.06 1jww s GLU 10 Ca 0.13 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1jww s GLU 10 Cb -0.11 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1jww s GLU 10 CO 0.02 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.82 1jww n GLY 11 N 4.82 1.48 3.88 -1.39 0.00 -1.26 -1.71 105.19 111.01 1jww n GLY 11 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.09 2.70 -0.13 1.61 0.23 -1.26 -4.74 119.30 117.62 1jww s MET 12 Ca 0.00 0.41 -0.08 0.00 -1.03 0.00 0.00 55.69 54.99 1jww s MET 12 Cb 0.00 -2.01 -0.04 0.00 -1.53 0.00 0.00 34.83 31.26 1jww s MET 12 CO 0.00 -1.14 -0.10 1.15 -2.03 0.00 0.00 175.02 172.90 1jww h THR 13 N -0.73 0.08 0.00 3.16 2.02 -1.97 -3.51 112.91 111.96 1jww h THR 13 Ca -0.45 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1jww h THR 13 Cb 1.27 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1jww h THR 13 CO 0.64 0.03 0.00 0.00 0.37 0.00 0.00 175.52 176.56 1jww h ALA 15 N 0.00 1.03 -0.49 0.00 0.00 -1.88 -1.58 119.26 116.34 1jww h ALA 15 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1jww h ALA 15 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1jww h ALA 15 CO 0.00 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.13 1jww h ALA 16 N 1.16 0.63 0.43 0.00 0.00 -1.93 0.10 119.26 119.66 1jww h ALA 16 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jww h ALA 16 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jww h ALA 16 CO -0.02 0.22 -0.21 0.00 0.00 0.00 0.00 179.25 179.25 1jww h ALA 18 N -0.42 0.92 -0.95 0.00 0.00 -0.98 0.35 119.26 118.19 1jww h ALA 18 Ca -0.06 0.34 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1jww h ALA 18 Cb 0.56 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1jww h ALA 18 CO 0.10 -0.48 0.60 -0.91 0.00 0.00 0.00 179.25 178.56 1jww h ASN 19 N 0.02 0.83 0.05 0.00 2.35 -0.73 -0.90 115.58 117.21 1jww h ASN 19 Ca 0.52 0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 56.08 1jww h ASN 19 Cb 0.96 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 39.23 1jww h ASN 19 CO -0.90 0.45 -0.92 -0.09 -1.65 0.00 0.00 177.43 174.32 1jww h ARG 20 N 0.89 0.53 -0.76 0.81 1.12 -0.36 -3.29 114.38 113.32 1jww h ARG 20 Ca 0.46 -0.64 0.12 0.00 -1.11 0.00 0.00 59.98 58.81 1jww h ARG 20 Cb 0.52 0.20 -0.13 0.00 -0.01 0.00 0.00 29.97 30.55 1jww h ARG 20 CO -0.22 1.26 -0.40 0.82 -3.11 0.00 0.00 179.97 178.32 1jww h ILE 21 N 0.10 0.08 -0.72 1.20 1.08 0.10 0.44 117.51 119.78 1jww h ILE 21 Ca -0.13 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1jww h ILE 21 Cb 1.62 0.08 -0.12 0.00 -3.07 0.00 0.00 36.82 35.33 1jww h ILE 21 CO 0.18 0.00 -0.48 -0.33 -0.69 0.00 0.00 178.15 176.83 1jww h GLU 22 N -0.11 -0.15 -0.15 2.37 5.08 -1.28 0.72 114.58 121.06 1jww h GLU 22 Ca 0.26 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1jww h GLU 22 Cb 0.56 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1jww h GLU 22 CO -0.81 -0.10 -0.60 -0.22 -1.00 0.00 0.00 179.01 176.27 1jww h LYS 23 N -0.16 0.67 -0.61 2.33 1.63 -1.42 0.35 116.57 119.35 1jww h LYS 23 Ca 0.19 -0.52 0.09 0.00 -0.85 0.00 0.00 60.65 59.56 1jww h LYS 23 Cb 0.54 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.20 1jww h LYS 23 CO -0.78 1.14 0.23 -0.09 -3.45 0.00 0.00 179.45 176.50 1jww h ARG 24 N 0.34 0.40 -0.09 1.90 9.65 -0.51 -1.20 114.38 124.87 1jww h ARG 24 Ca -0.03 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.61 1jww h ARG 24 Cb 1.23 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1jww h ARG 24 CO 0.13 0.26 -0.81 -0.07 2.80 0.00 0.00 179.97 182.28 1jww h LEU 25 N 0.41 0.73 -1.76 3.80 3.38 -0.71 -3.11 115.31 118.06 1jww h LEU 25 Ca 0.31 -0.51 0.22 0.00 0.09 0.00 0.00 57.88 57.99 1jww h LEU 25 Cb 0.38 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1jww h LEU 25 CO -0.31 1.28 0.59 -1.13 0.09 0.00 0.00 178.44 178.96 1jww h ASN 26 N 0.40 0.20 -0.43 -0.43 -0.00 0.39 0.15 115.58 115.85 1jww h ASN 26 Ca -0.06 0.02 0.04 0.00 -0.00 0.00 0.00 56.30 56.30 1jww h ASN 26 Cb 1.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 39.71 1jww h ASN 26 CO 0.15 0.08 0.29 0.50 -0.00 0.00 0.00 177.43 178.45 1jww h LYS 27 N 0.20 0.43 -6.66 6.67 3.64 -1.17 -3.43 116.57 116.25 1jww h LYS 27 Ca 0.42 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 59.22 1jww h LYS 27 Cb 1.36 -0.10 0.08 0.00 -0.41 0.00 0.00 32.23 33.16 1jww h LYS 27 CO -0.09 0.28 0.81 -0.89 -2.27 0.00 0.00 179.45 177.29 1jww n ILE 28 N -4.48 0.64 0.11 2.00 2.08 0.51 -4.93 119.36 115.29 1jww n ILE 28 Ca 0.05 -0.16 -0.23 0.00 0.56 0.00 0.00 62.75 62.97 1jww n ILE 28 Cb 0.17 -1.75 -0.15 0.00 -0.75 0.00 0.00 39.64 37.16 1jww n ILE 28 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1jww h GLU 29 N 5.16 0.44 -1.99 0.38 4.81 -1.87 -3.26 114.58 118.25 1jww h GLU 29 Ca -0.45 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.02 1jww h GLU 29 Cb 1.24 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1jww h GLU 29 CO 0.83 1.36 0.00 0.41 -0.73 0.00 0.00 179.01 180.88 1jww n GLY 30 N 1.70 2.39 3.76 1.92 0.00 -1.26 -4.85 105.19 108.85 1jww n GLY 30 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 0.11 4.51 0.00 1.61 0.11 -1.23 0.01 120.40 125.51 1jww s VAL 31 Ca 0.00 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1jww s VAL 31 Cb 0.00 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1jww s VAL 31 CO 0.00 0.21 -0.08 0.00 -3.33 0.00 0.00 175.10 171.90 1jww n ALA 32 N 0.76 2.55 -3.01 1.54 0.00 0.42 -4.94 120.51 117.83 1jww n ALA 32 Ca -0.10 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1jww n ALA 32 Cb 0.52 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 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 -5.83 -0.04 -0.44 0.00 0.01 -0.28 -5.01 114.94 103.35 1jww s ASN 33 Ca -0.07 -0.21 0.09 0.00 -0.71 0.00 0.00 52.86 51.95 1jww s ASN 33 Cb 0.02 0.28 0.29 0.00 0.41 0.00 0.00 41.25 42.25 1jww s ASN 33 CO 0.10 -0.50 0.67 0.00 -1.51 0.00 0.00 177.10 175.85 1jww n ALA 34 N 0.96 2.79 -1.55 0.60 0.00 -1.26 -0.37 120.51 121.68 1jww n ALA 34 Ca -0.20 -3.75 -0.41 0.00 0.00 0.00 0.00 53.44 49.08 1jww n ALA 34 Cb 0.58 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 0.80 2.91 -1.49 0.00 -0.04 -1.19 -4.73 135.00 131.26 1jww n PRO 35 Ca 0.25 -2.41 -0.32 0.00 -0.04 0.00 0.00 63.50 60.98 1jww n PRO 35 Cb 0.54 -3.12 0.07 0.00 -0.04 0.00 0.00 33.50 30.95 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 3.12 3.26 -0.17 0.52 -7.23 -1.25 -4.43 120.40 114.22 1jww s VAL 36 Ca 0.53 0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 61.01 1jww s VAL 36 Cb 0.15 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1jww s VAL 36 CO -0.06 -0.46 0.51 0.20 -0.31 0.00 0.00 175.10 174.98 1jww s ASN 37 N -2.99 6.62 -0.51 4.85 0.01 -0.10 -4.91 114.94 117.92 1jww s ASN 37 Ca 0.64 0.74 0.02 0.00 -0.71 0.00 0.00 52.86 53.56 1jww s ASN 37 Cb -0.19 -2.30 0.59 0.00 0.41 0.00 0.00 41.25 39.77 1jww s ASN 37 CO 0.49 -0.12 1.94 2.22 -1.51 0.00 0.00 177.10 180.13 1jww n PHE 38 N 4.38 3.07 0.00 2.20 1.16 -1.26 -4.04 117.46 122.97 1jww n PHE 38 Ca -0.05 -2.19 0.00 0.00 -1.87 0.00 0.00 57.45 53.34 1jww n PHE 38 Cb 0.51 -1.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.29 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 -1.04 0.00 0.26 1.98 0.00 -1.26 -2.81 120.51 117.64 1jww n ALA 39 Ca 0.60 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.20 1jww n ALA 39 Cb 1.35 0.00 0.56 0.00 0.00 0.00 0.00 19.45 21.36 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 -1.88 0.00 3.38 -1.99 -3.47 115.31 111.35 1jww h LEU 40 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1jww h LEU 40 Cb 0.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.88 1jww h LEU 40 CO 0.00 0.00 -0.58 -0.62 0.09 0.00 0.00 178.44 177.33 1jww n GLU 41 N -3.10 -4.40 -3.71 1.13 1.02 -1.26 -5.05 120.64 105.28 1jww n GLU 41 Ca 0.01 0.63 -0.18 0.00 -0.02 0.00 0.00 57.16 57.61 1jww n GLU 41 Cb 0.36 -4.95 -0.17 0.00 -0.02 0.00 0.00 31.44 26.66 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 -3.27 -0.09 -0.12 2.62 -4.23 -1.26 -3.92 115.64 105.37 1jww s THR 42 Ca 0.05 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1jww s THR 42 Cb -0.01 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.66 1jww s THR 42 CO 0.54 0.14 0.25 -0.69 -0.54 0.00 0.00 174.62 174.32 1jww s VAL 43 N 1.70 5.32 -0.11 2.29 1.01 -0.43 -0.92 120.40 129.26 1jww s VAL 43 Ca -0.01 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1jww s VAL 43 Cb -0.12 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1jww s VAL 43 CO -0.03 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1jww s THR 44 N -0.35 1.97 -0.06 3.92 2.01 -1.26 -0.65 115.64 121.23 1jww s THR 44 Ca 0.17 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1jww s THR 44 Cb -0.13 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1jww s THR 44 CO 0.05 0.54 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.76 1jww s VAL 45 N 0.58 0.79 -0.57 3.82 1.01 0.02 -3.17 120.40 122.88 1jww s VAL 45 Ca -0.13 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1jww s VAL 45 Cb -0.17 -0.78 0.08 0.00 0.00 0.00 0.00 36.38 35.51 1jww s VAL 45 CO 0.04 0.29 0.73 -0.70 0.00 0.00 0.00 175.10 175.46 1jww s GLU 46 N 0.97 3.09 0.34 2.72 2.12 0.50 -0.70 118.70 127.74 1jww s GLU 46 Ca -0.10 -1.05 0.04 0.00 0.36 0.00 0.00 54.97 54.23 1jww s GLU 46 Cb -0.15 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.02 1jww s GLU 46 CO 0.00 -1.48 0.19 1.52 -0.54 0.00 0.00 175.26 174.95 1jww s TYR 47 N 2.94 1.68 -0.07 5.30 1.13 -0.35 -0.43 117.35 127.56 1jww s TYR 47 Ca 0.15 -1.44 0.04 0.00 -1.41 0.00 0.00 57.07 54.41 1jww s TYR 47 Cb -0.21 -0.88 -0.02 0.00 -1.10 0.00 0.00 41.96 39.75 1jww s TYR 47 CO 0.09 -0.58 -0.19 0.54 -2.51 0.00 0.00 175.55 172.90 1jww s ASN 48 N -3.43 3.56 -1.10 -0.18 2.20 0.10 0.07 114.94 116.16 1jww s ASN 48 Ca 0.34 -0.37 -0.09 0.00 -0.94 0.00 0.00 52.86 51.80 1jww s ASN 48 Cb 0.04 -0.99 -0.14 0.00 -2.00 0.00 0.00 41.25 38.15 1jww s ASN 48 CO 0.20 0.26 3.14 -0.81 -2.94 0.00 0.00 177.10 176.95 1jww n PRO 49 N 2.85 3.12 0.00 3.55 -0.04 -1.26 -3.80 135.00 139.43 1jww n PRO 49 Ca -0.17 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1jww n PRO 49 Cb 0.52 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.26 0.16 -0.07 0.54 2.85 -1.26 -4.92 118.16 118.71 1jww n LYS 50 Ca 0.67 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.86 1jww n LYS 50 Cb 0.44 -0.90 -0.02 0.00 -0.65 0.00 0.00 35.03 33.90 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 -2.28 0.43 -2.40 -1.58 0.00 -1.25 -5.07 120.64 108.49 1jww n GLU 51 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 57.16 57.28 1jww n GLU 51 Cb 0.40 -1.33 0.02 0.00 0.00 0.00 0.00 31.44 30.53 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jww n ALA 52 N -3.98 0.52 -2.49 4.31 0.00 -1.25 -4.95 120.51 112.66 1jww n ALA 52 Ca -0.10 -1.11 -0.09 0.00 0.00 0.00 0.00 53.44 52.13 1jww n ALA 52 Cb 0.39 0.39 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.73 0.15 0.36 0.00 1.04 -1.26 -4.37 113.70 106.88 1jww s SER 53 Ca 0.22 -0.98 0.10 0.00 0.48 0.00 0.00 55.95 55.78 1jww s SER 53 Cb -0.02 0.38 0.86 0.00 0.10 0.00 0.00 66.02 67.34 1jww s SER 53 CO 0.14 -0.82 1.83 -0.37 0.98 0.00 0.00 173.24 175.01 1jww h VAL 54 N 2.68 0.75 -0.80 5.02 -1.51 -2.00 -0.13 116.25 120.27 1jww h VAL 54 Ca -0.33 -0.22 -0.04 0.00 -1.23 0.00 0.00 66.70 64.88 1jww h VAL 54 Cb 1.21 0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.39 1jww h VAL 54 CO 0.53 0.12 0.36 -1.28 -1.23 0.00 0.00 177.57 176.06 1jww h SER 55 N 0.64 1.07 0.20 4.19 0.87 -1.98 -0.50 113.55 118.05 1jww h SER 55 Ca 0.50 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1jww h SER 55 Cb 0.91 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1jww h SER 55 CO -0.25 0.92 -0.10 -0.78 -0.53 0.00 0.00 176.83 176.09 1jww h ASP 56 N 1.14 -0.23 -0.53 6.23 1.82 -1.43 0.81 116.42 124.23 1jww h ASP 56 Ca 0.27 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1jww h ASP 56 Cb 0.16 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1jww h ASP 56 CO -0.03 0.08 0.12 0.17 -1.61 0.00 0.00 179.24 177.96 1jww h LEU 57 N -0.56 0.82 -0.88 2.28 8.10 -1.42 0.13 115.31 123.78 1jww h LEU 57 Ca -0.03 -0.24 0.13 0.00 0.11 0.00 0.00 57.88 57.85 1jww h LEU 57 Cb 0.41 -0.22 -0.14 0.00 -0.44 0.00 0.00 40.66 40.28 1jww h LEU 57 CO 0.05 0.85 -0.41 0.50 -4.11 0.00 0.00 178.44 175.31 1jww h LYS 58 N 0.75 -0.05 -0.31 0.17 3.11 -1.05 -0.50 116.57 118.68 1jww h LYS 58 Ca 0.17 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.05 1jww h LYS 58 Cb 0.36 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 1jww h LYS 58 CO 0.00 -0.04 0.08 1.49 -2.81 0.00 0.00 179.45 178.18 1jww h GLU 59 N -0.05 0.19 -0.70 1.90 4.22 0.13 0.27 114.58 120.53 1jww h GLU 59 Ca 0.28 -0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.85 1jww h GLU 59 Cb 0.56 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1jww h GLU 59 CO -0.90 0.13 0.23 0.00 -2.18 0.00 0.00 179.01 176.29 1jww h ALA 60 N 1.22 0.94 -0.13 2.92 0.00 0.30 0.23 119.26 124.74 1jww h ALA 60 Ca 0.15 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1jww h ALA 60 Cb 0.15 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jww h ALA 60 CO -0.18 -0.26 -0.10 0.28 0.00 0.00 0.00 179.25 178.99 1jww h VAL 61 N 0.36 1.34 -0.94 0.00 2.07 -0.60 -2.82 116.25 115.67 1jww h VAL 61 Ca 0.38 -1.23 0.27 0.00 0.82 0.00 0.00 66.70 66.94 1jww h VAL 61 Cb 0.59 1.88 -0.14 0.00 -1.52 0.00 0.00 31.29 32.09 1jww h VAL 61 CO -0.42 0.35 0.40 -0.78 0.02 0.00 0.00 177.57 177.15 1jww h ASP 62 N -0.09 0.27 1.38 0.57 1.82 0.12 0.52 116.42 121.01 1jww h ASP 62 Ca 0.02 0.19 -0.13 0.00 -0.39 0.00 0.00 57.03 56.72 1jww h ASP 62 Cb 0.61 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1jww h ASP 62 CO 0.03 -0.12 -0.62 0.50 -1.61 0.00 0.00 179.24 177.42 1jww h LYS 63 N 0.29 0.00 -0.91 0.28 1.63 -0.61 -2.27 116.57 114.98 1jww h LYS 63 Ca 0.63 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.52 1jww h LYS 63 Cb 1.33 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.89 1jww h LYS 63 CO -0.62 0.62 0.56 -0.07 -3.45 0.00 0.00 179.45 176.49 1jww h LEU 64 N 0.00 0.84 0.00 5.20 3.38 -0.63 -3.47 115.31 120.63 1jww h LEU 64 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jww h LEU 64 Cb 1.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1jww h LEU 64 CO 0.08 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1jww n GLY 65 N -1.34 3.51 3.94 0.83 0.00 -0.85 -5.13 105.19 106.15 1jww n GLY 65 Ca 0.15 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 3.48 0.18 1.61 -0.85 -1.26 -4.95 117.35 115.57 1jww s TYR 66 Ca 0.00 0.31 -0.09 0.00 -0.52 0.00 0.00 57.07 56.77 1jww s TYR 66 Cb 0.00 -1.84 -0.07 0.00 0.38 0.00 0.00 41.96 40.43 1jww s TYR 66 CO 0.00 0.27 0.50 0.15 -1.52 0.00 0.00 175.55 174.95 1jww s LYS 67 N -3.83 3.79 0.09 -3.49 -0.14 -0.69 -3.44 119.74 112.03 1jww s LYS 67 Ca 0.39 0.22 0.08 0.00 -1.36 0.00 0.00 55.97 55.30 1jww s LYS 67 Cb -0.10 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1jww s LYS 67 CO 0.32 0.40 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.93 1jww s LEU 68 N -2.54 2.27 -0.09 3.17 2.96 -1.26 -1.48 118.68 121.71 1jww s LEU 68 Ca 0.43 -0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 1jww s LEU 68 Cb -0.12 -0.94 0.04 0.00 0.50 0.00 0.00 46.19 45.66 1jww s LEU 68 CO 0.21 0.10 0.39 -0.75 -1.32 0.00 0.00 176.35 174.98 1jww s LYS 69 N -1.74 0.61 0.83 1.98 2.47 -0.74 -4.95 119.74 118.20 1jww s LYS 69 Ca 0.07 0.22 -0.11 0.00 -1.56 0.00 0.00 55.97 54.60 1jww s LYS 69 Cb -0.10 0.29 0.10 0.00 -1.46 0.00 0.00 37.83 36.65 1jww s LYS 69 CO 0.04 -0.14 1.13 -1.17 0.16 0.00 0.00 175.35 175.37 1jww s LEU 70 N -0.56 2.98 0.10 5.43 0.20 -1.26 -0.06 118.68 125.49 1jww s LEU 70 Ca -0.07 2.04 0.00 0.00 0.69 0.00 0.00 54.13 56.79 1jww s LEU 70 Cb -0.04 -4.55 0.00 0.00 -0.43 0.00 0.00 46.19 41.18 1jww s LEU 70 CO 0.03 -2.54 0.00 1.17 -0.29 0.00 0.00 176.35 174.72 1jww n LYS 71 N -3.76 0.00 0.00 1.98 4.81 0.46 -4.61 118.16 117.03 1jww n LYS 71 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1jww n LYS 71 Cb 0.52 -0.32 0.00 0.00 0.02 0.00 0.00 35.03 35.26 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 2.62 -2.02 3.73 3.14 0.00 -1.09 -5.02 105.19 106.54 1jww n GLY 72 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 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 1.10 0.37 1.61 -1.05 -1.26 -2.95 118.70 116.53 1jww s GLU 73 Ca 0.00 -0.60 -0.28 0.00 -0.15 0.00 0.00 54.97 53.94 1jww s GLU 73 Cb 0.00 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.96 1jww s GLU 73 CO 0.00 -0.50 1.44 0.00 0.95 0.00 0.00 175.26 177.15 1jww n GLN 74 N -0.46 2.55 -1.50 -4.83 10.64 -1.21 -4.53 117.38 118.04 1jww n GLN 74 Ca -0.06 0.89 -0.39 0.00 -1.83 0.00 0.00 57.00 55.61 1jww n GLN 74 Cb 0.61 -2.59 -0.05 0.00 -0.86 0.00 0.00 30.24 27.34 1jww n GLN 74 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1jww n ASP 75 N 0.51 2.84 -3.68 2.61 8.00 -1.26 -4.79 116.55 120.79 1jww n ASP 75 Ca 0.02 -2.70 -0.09 0.00 0.71 0.00 0.00 54.79 52.73 1jww n ASP 75 Cb 0.38 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.04 1jww n ASP 75 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jww s SER 76 N 5.31 -0.52 -0.46 -2.24 0.15 -1.26 -5.11 113.70 109.57 1jww s SER 76 Ca 0.60 1.01 0.02 0.00 0.70 0.00 0.00 55.95 58.29 1jww s SER 76 Cb 0.10 1.03 0.14 0.00 -1.71 0.00 0.00 66.02 65.58 1jww s SER 76 CO 0.11 -0.21 0.26 0.27 1.20 0.00 0.00 173.24 174.88 1jww s ILE 77 N 1.77 1.41 -0.06 6.45 -4.36 -1.26 -5.10 121.20 120.05 1jww s ILE 77 Ca -0.08 -2.67 0.00 0.00 -0.26 0.00 0.00 60.65 57.64 1jww s ILE 77 Cb -0.09 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 1jww s ILE 77 CO -0.14 -0.93 -0.03 -0.70 0.24 0.00 0.00 174.94 173.38 1jww s GLU 78 N 0.21 2.83 0.00 0.37 2.12 -1.26 -5.12 118.70 117.85 1jww s GLU 78 Ca 0.19 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1jww s GLU 78 Cb -0.21 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1jww s GLU 78 CO -0.02 0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 1jww n GLY 79 N 2.03 1.78 0.00 -1.50 0.00 -1.26 -5.32 105.19 100.92 1jww n GLY 79 Ca -0.18 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1jww n GLY 79 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36