#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 1.63 0.07 2.52 -4.23 -1.26 -4.48 115.64 109.89 1jww s THR 2 Ca 0.00 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1jww s THR 2 Cb 0.00 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1jww s THR 2 CO 0.00 -0.26 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.06 1jww s GLU 3 N -2.45 0.86 -0.76 3.99 2.02 0.39 -4.92 118.70 117.83 1jww s GLU 3 Ca 0.10 -0.97 -0.08 0.00 0.02 0.00 0.00 54.97 54.05 1jww s GLU 3 Cb -0.07 -0.90 0.20 0.00 0.10 0.00 0.00 34.13 33.45 1jww s GLU 3 CO 0.05 0.20 0.64 0.15 0.02 0.00 0.00 175.26 176.32 1jww s LYS 4 N -1.72 3.15 0.36 1.61 3.01 -1.26 -1.27 119.74 123.61 1jww s LYS 4 Ca -0.01 -2.62 -0.12 0.00 -1.01 0.00 0.00 55.97 52.21 1jww s LYS 4 Cb -0.10 -4.08 -0.07 0.00 -1.01 0.00 0.00 37.83 32.57 1jww s LYS 4 CO 0.02 -1.23 0.74 0.00 0.51 0.00 0.00 175.35 175.39 1jww s ALA 5 N -0.18 3.36 0.10 5.17 0.00 0.56 -2.70 121.76 128.06 1jww s ALA 5 Ca 0.19 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1jww s ALA 5 Cb -0.14 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1jww s ALA 5 CO -0.07 0.17 -0.21 -1.21 0.00 0.00 0.00 175.76 174.45 1jww s GLU 6 N -3.42 1.15 -0.00 0.00 2.02 -1.26 -0.56 118.70 116.64 1jww s GLU 6 Ca 0.52 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 1jww s GLU 6 Cb -0.10 -1.40 -0.00 0.00 0.10 0.00 0.00 34.13 32.72 1jww s GLU 6 CO 0.25 0.33 0.02 -0.06 0.02 0.00 0.00 175.26 175.82 1jww s PHE 7 N -1.12 0.06 -0.18 1.61 0.40 0.31 -0.22 117.98 118.84 1jww s PHE 7 Ca 0.07 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1jww s PHE 7 Cb -0.10 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 1jww s PHE 7 CO 0.04 -0.09 0.04 0.34 0.70 0.00 0.00 175.22 176.25 1jww s ASP 8 N -0.52 5.44 -0.37 1.36 -1.08 0.76 -1.02 116.67 121.25 1jww s ASP 8 Ca -0.06 0.03 -0.11 0.00 -0.52 0.00 0.00 52.55 51.89 1jww s ASP 8 Cb -0.04 -1.92 0.02 0.00 -1.46 0.00 0.00 42.92 39.52 1jww s ASP 8 CO -0.00 0.17 0.21 -0.63 0.52 0.00 0.00 175.17 175.44 1jww s ILE 9 N 0.38 4.70 -0.66 4.11 -1.09 -1.21 -2.93 121.20 124.50 1jww s ILE 9 Ca 0.01 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 1jww s ILE 9 Cb -0.13 -3.58 0.17 0.00 -1.58 0.00 0.00 42.46 37.34 1jww s ILE 9 CO 0.01 -0.19 0.59 -1.61 -1.23 0.00 0.00 174.94 172.51 1jww s GLU 10 N 1.59 3.13 0.00 2.79 0.41 -0.34 -4.73 118.70 121.55 1jww s GLU 10 Ca 0.03 -2.15 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 1jww s GLU 10 Cb -0.19 -4.23 0.00 0.00 -1.78 0.00 0.00 34.13 27.93 1jww s GLU 10 CO 0.07 -1.27 0.00 0.41 -0.49 0.00 0.00 175.26 173.98 1jww n GLY 11 N 4.43 -0.42 3.87 -1.39 0.00 -1.26 -1.18 105.19 109.24 1jww n GLY 11 Ca 0.02 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 3.23 -0.01 1.61 -1.94 -1.26 -5.06 119.30 115.87 1jww s MET 12 Ca 0.00 -0.57 -0.20 0.00 -1.71 0.00 0.00 55.69 53.21 1jww s MET 12 Cb 0.00 -2.90 -0.11 0.00 2.01 0.00 0.00 34.83 33.83 1jww s MET 12 CO 0.00 0.58 0.87 1.15 -0.01 0.00 0.00 175.02 177.60 1jww h THR 13 N 2.18 0.00 0.00 2.05 2.02 -1.99 -3.48 112.91 113.69 1jww h THR 13 Ca -0.46 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1jww h THR 13 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1jww h THR 13 CO 0.71 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1jww n ALA 15 N 0.00 0.77 -0.18 0.00 0.00 -1.26 -4.05 120.51 115.79 1jww n ALA 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1jww n ALA 15 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.00 0.67 -0.04 0.00 0.00 -2.00 0.12 119.26 119.02 1jww h ALA 16 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jww h ALA 16 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jww h ALA 16 CO 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.50 1jww h ALA 18 N 0.59 0.71 -0.04 0.00 0.00 -1.83 0.20 119.26 118.89 1jww h ALA 18 Ca 0.01 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jww h ALA 18 Cb 0.46 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jww h ALA 18 CO 0.01 -0.42 0.07 -0.91 0.00 0.00 0.00 179.25 177.99 1jww h ASN 19 N 0.07 0.00 0.05 0.00 -0.26 -0.27 0.64 115.58 115.81 1jww h ASN 19 Ca 0.40 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.05 1jww h ASN 19 Cb 0.68 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 1jww h ASN 19 CO -0.69 0.00 -0.39 -0.09 -1.06 0.00 0.00 177.43 175.21 1jww h ARG 20 N 0.00 0.10 -0.97 0.81 9.65 -0.23 -3.38 114.38 120.36 1jww h ARG 20 Ca 0.02 -0.18 0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1jww h ARG 20 Cb 0.16 0.07 -0.13 0.00 -1.39 0.00 0.00 29.97 28.67 1jww h ARG 20 CO -0.00 1.08 -0.49 -0.89 2.80 0.00 0.00 179.97 182.47 1jww n ILE 21 N -4.42 -0.60 -0.27 1.20 2.08 0.09 -1.29 119.36 116.15 1jww n ILE 21 Ca -0.13 2.31 0.03 0.00 0.56 0.00 0.00 62.75 65.52 1jww n ILE 21 Cb 0.62 -2.93 0.12 0.00 -0.75 0.00 0.00 39.64 36.69 1jww n ILE 21 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1jww h GLU 22 N 0.00 0.02 -0.09 0.38 5.08 -1.40 0.25 114.58 118.83 1jww h GLU 22 Ca 0.23 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1jww h GLU 22 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jww h GLU 22 CO -0.93 0.02 -0.32 -0.22 -1.00 0.00 0.00 179.01 176.56 1jww h LYS 23 N 0.02 0.38 -0.62 2.33 3.64 -1.41 0.12 116.57 121.04 1jww h LYS 23 Ca 0.39 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1jww h LYS 23 Cb 0.64 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1jww h LYS 23 CO -0.77 0.91 0.38 0.00 -2.27 0.00 0.00 179.45 177.70 1jww h ARG 24 N -0.07 0.83 -0.02 1.90 2.47 0.02 -0.21 114.38 119.29 1jww h ARG 24 Ca -0.01 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1jww h ARG 24 Cb 0.95 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1jww h ARG 24 CO 0.07 0.58 -0.06 -0.07 0.56 0.00 0.00 179.97 181.05 1jww h LEU 25 N 0.85 0.10 -2.06 3.04 3.38 -0.54 -3.19 115.31 116.88 1jww h LEU 25 Ca 0.22 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1jww h LEU 25 Cb -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jww h LEU 25 CO -0.04 0.67 0.27 -1.13 0.09 0.00 0.00 178.44 178.30 1jww h ASN 26 N -0.48 0.00 -0.71 -0.43 -1.24 -0.09 0.52 115.58 113.16 1jww h ASN 26 Ca -0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.11 1jww h ASN 26 Cb 0.66 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.67 1jww h ASN 26 CO 0.01 0.00 0.47 0.50 -1.29 0.00 0.00 177.43 177.12 1jww h LYS 27 N 0.00 0.57 -6.84 6.67 3.64 -1.04 -3.44 116.57 116.14 1jww h LYS 27 Ca 0.00 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.79 1jww h LYS 27 Cb 0.54 -0.13 0.11 0.00 -0.41 0.00 0.00 32.23 32.33 1jww h LYS 27 CO 0.00 0.38 0.70 -0.89 -2.27 0.00 0.00 179.45 177.37 1jww n ILE 28 N -4.49 1.81 0.06 2.00 5.41 0.17 -4.95 119.36 119.37 1jww n ILE 28 Ca 0.12 -0.45 -0.12 0.00 1.00 0.00 0.00 62.75 63.29 1jww n ILE 28 Cb 0.35 -1.82 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 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 3.15 -0.19 -1.86 0.38 5.08 -1.89 -3.25 114.58 116.01 1jww h GLU 29 Ca -0.48 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 57.65 1jww h GLU 29 Cb 1.25 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 1jww h GLU 29 CO 0.66 0.22 0.12 0.41 -1.00 0.00 0.00 179.01 179.43 1jww n GLY 30 N 0.12 3.48 3.93 -3.84 0.00 -1.26 -4.87 105.19 102.75 1jww n GLY 30 Ca -0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.93 5.35 -0.02 1.61 0.11 -1.23 -0.38 120.40 124.90 1jww s VAL 31 Ca 0.37 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1jww s VAL 31 Cb 0.22 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 1jww s VAL 31 CO -0.05 0.02 -0.12 0.00 -3.33 0.00 0.00 175.10 171.62 1jww n ALA 32 N -0.13 2.28 -2.77 1.54 0.00 0.26 -4.93 120.51 116.75 1jww n ALA 32 Ca -0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1jww n ALA 32 Cb 0.52 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 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 -5.95 -0.01 -0.41 0.00 0.01 -0.77 -5.02 114.94 102.79 1jww s ASN 33 Ca -0.11 -0.45 0.09 0.00 -0.71 0.00 0.00 52.86 51.68 1jww s ASN 33 Cb 0.02 0.36 0.33 0.00 0.41 0.00 0.00 41.25 42.37 1jww s ASN 33 CO 0.16 -0.70 0.87 0.00 -1.51 0.00 0.00 177.10 175.91 1jww n ALA 34 N 0.16 0.84 -2.32 0.60 0.00 -1.26 -0.22 120.51 118.31 1jww n ALA 34 Ca -0.17 -2.59 -0.35 0.00 0.00 0.00 0.00 53.44 50.33 1jww n ALA 34 Cb 0.61 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.21 3.20 0.85 0.00 0.04 -1.22 -4.61 135.00 132.05 1jww s PRO 35 Ca 0.33 -1.27 -0.14 0.00 0.04 0.00 0.00 61.00 59.96 1jww s PRO 35 Cb 0.31 -5.33 0.04 0.00 0.04 0.00 0.00 34.50 29.56 1jww s PRO 35 CO -0.08 -2.98 0.69 1.33 0.04 0.00 0.00 177.00 176.00 1jww n VAL 36 N 7.19 0.98 -2.32 -0.36 0.24 -1.26 -4.36 118.33 118.44 1jww n VAL 36 Ca 0.43 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.34 62.21 1jww n VAL 36 Cb 0.47 -0.82 0.01 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.94 6.09 -0.18 -1.34 0.01 -0.72 -4.89 114.94 111.98 1jww s ASN 37 Ca 0.64 1.05 0.13 0.00 -0.71 0.00 0.00 52.86 53.97 1jww s ASN 37 Cb -0.27 -2.20 0.41 0.00 0.41 0.00 0.00 41.25 39.60 1jww s ASN 37 CO 0.60 -0.79 1.21 0.49 -1.51 0.00 0.00 177.10 177.10 1jww n PHE 38 N -2.50 0.00 0.00 2.20 3.72 -1.26 -4.69 117.46 114.93 1jww n PHE 38 Ca 0.03 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 1jww n PHE 38 Cb 0.55 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jww n ALA 39 N -0.92 0.00 0.28 4.37 0.00 -1.26 -4.76 120.51 118.23 1jww n ALA 39 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.77 1jww n ALA 39 Cb 0.75 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.78 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 -1.22 0.00 3.38 -1.89 -3.47 115.31 112.11 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 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1jww h LEU 40 CO 0.00 0.00 -0.46 -0.62 0.09 0.00 0.00 178.44 177.45 1jww n GLU 41 N -3.04 -4.83 -3.70 1.13 1.02 -1.26 -5.04 120.64 104.92 1jww n GLU 41 Ca 0.01 0.54 -0.18 0.00 -0.02 0.00 0.00 57.16 57.51 1jww n GLU 41 Cb 0.35 -4.68 -0.17 0.00 -0.02 0.00 0.00 31.44 26.92 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 -3.22 -0.10 0.23 2.62 -4.23 -1.26 -3.28 115.64 106.40 1jww s THR 42 Ca 0.24 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1jww s THR 42 Cb -0.11 -0.14 -0.07 0.00 1.34 0.00 0.00 72.50 73.52 1jww s THR 42 CO 0.47 0.15 0.59 -0.69 -0.54 0.00 0.00 174.62 174.59 1jww s VAL 43 N 1.80 4.87 -0.08 2.29 1.01 -0.19 -1.75 120.40 128.35 1jww s VAL 43 Ca -0.00 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1jww s VAL 43 Cb -0.12 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1jww s VAL 43 CO -0.03 -0.04 -0.09 -0.89 0.00 0.00 0.00 175.10 174.05 1jww s THR 44 N -1.78 0.98 -0.11 3.92 2.01 -1.26 -0.53 115.64 118.86 1jww s THR 44 Ca 0.47 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1jww s THR 44 Cb -0.12 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1jww s THR 44 CO 0.20 0.34 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.55 1jww s VAL 45 N 1.13 2.05 -0.48 3.82 1.01 0.28 -3.42 120.40 124.78 1jww s VAL 45 Ca -0.06 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1jww s VAL 45 Cb -0.14 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1jww s VAL 45 CO -0.01 0.55 0.59 -0.70 0.00 0.00 0.00 175.10 175.53 1jww s GLU 46 N 0.49 3.14 0.14 2.72 2.12 0.70 -0.32 118.70 127.68 1jww s GLU 46 Ca -0.15 -0.81 -0.05 0.00 0.36 0.00 0.00 54.97 54.32 1jww s GLU 46 Cb -0.17 -4.06 -0.02 0.00 0.26 0.00 0.00 34.13 30.14 1jww s GLU 46 CO 0.06 -1.13 0.17 1.52 -0.54 0.00 0.00 175.26 175.34 1jww s TYR 47 N 2.55 0.59 0.02 5.30 1.13 -0.39 -0.58 117.35 125.96 1jww s TYR 47 Ca 0.15 -0.97 -0.13 0.00 -1.41 0.00 0.00 57.07 54.72 1jww s TYR 47 Cb -0.18 -0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 40.37 1jww s TYR 47 CO 0.13 -0.61 0.40 0.54 -2.51 0.00 0.00 175.55 173.50 1jww s ASN 48 N -2.99 6.75 -0.21 -0.18 2.20 0.49 -0.46 114.94 120.53 1jww s ASN 48 Ca 0.19 0.90 -0.04 0.00 -0.94 0.00 0.00 52.86 52.97 1jww s ASN 48 Cb 0.05 -2.23 -0.06 0.00 -2.00 0.00 0.00 41.25 37.02 1jww s ASN 48 CO -0.00 0.29 2.96 -0.81 -2.94 0.00 0.00 177.10 176.59 1jww n PRO 49 N 1.57 2.04 0.00 3.55 -0.04 -1.26 -4.05 135.00 136.81 1jww n PRO 49 Ca -0.13 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1jww n PRO 49 Cb 0.52 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 1.52 4.73 0.02 0.54 2.85 -1.26 -4.92 118.16 121.64 1jww n LYS 50 Ca 0.40 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1jww n LYS 50 Cb 0.70 -0.37 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 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 -0.68 0.00 -2.61 -1.58 4.07 -1.26 -5.08 120.64 113.51 1jww n GLU 51 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 1jww n GLU 51 Cb 0.00 -0.29 -0.02 0.00 -0.06 0.00 0.00 31.44 31.08 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jww n ALA 52 N -2.90 0.11 -2.29 4.31 0.00 -1.26 -4.91 120.51 113.57 1jww n ALA 52 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1jww n ALA 52 Cb 0.24 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.63 0.14 0.19 0.00 1.04 -1.26 -4.60 113.70 107.58 1jww s SER 53 Ca 0.01 -1.33 -0.15 0.00 0.48 0.00 0.00 55.95 54.96 1jww s SER 53 Cb 0.00 0.39 0.17 0.00 0.10 0.00 0.00 66.02 66.68 1jww s SER 53 CO 0.01 -0.86 1.65 0.58 0.98 0.00 0.00 173.24 175.60 1jww h VAL 54 N 2.61 0.51 -0.68 5.02 2.07 -1.99 0.01 116.25 123.80 1jww h VAL 54 Ca -0.35 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1jww h VAL 54 Cb 1.25 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1jww h VAL 54 CO 0.52 0.00 0.45 0.28 0.02 0.00 0.00 177.57 178.84 1jww h SER 55 N 0.02 0.68 0.53 0.57 0.02 -1.99 -1.52 113.55 111.86 1jww h SER 55 Ca 0.25 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1jww h SER 55 Cb 0.38 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1jww h SER 55 CO -0.51 0.46 -0.26 -0.78 -1.14 0.00 0.00 176.83 174.61 1jww h ASP 56 N 0.78 -0.61 -0.28 3.07 1.82 -1.76 -3.26 116.42 116.19 1jww h ASP 56 Ca 0.28 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1jww h ASP 56 Cb 0.13 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1jww h ASP 56 CO -0.08 -0.22 0.18 0.17 -1.61 0.00 0.00 179.24 177.69 1jww h LEU 57 N -1.15 0.32 -1.36 2.28 8.10 -0.71 0.20 115.31 122.99 1jww h LEU 57 Ca -0.07 -0.01 0.27 0.00 0.11 0.00 0.00 57.88 58.18 1jww h LEU 57 Cb 0.55 -0.08 -0.10 0.00 -0.44 0.00 0.00 40.66 40.59 1jww h LEU 57 CO 0.12 0.24 0.67 0.07 -4.11 0.00 0.00 178.44 175.43 1jww h LYS 58 N 0.38 0.37 -0.52 0.17 5.09 -1.47 0.56 116.57 121.15 1jww h LYS 58 Ca 0.10 -0.02 0.07 0.00 0.09 0.00 0.00 60.65 60.89 1jww h LYS 58 Cb -0.04 -0.08 -0.03 0.00 0.10 0.00 0.00 32.23 32.18 1jww h LYS 58 CO -0.02 0.25 0.35 1.49 -2.09 0.00 0.00 179.45 179.43 1jww h GLU 59 N 0.39 0.40 0.17 0.07 4.81 -0.62 0.18 114.58 119.97 1jww h GLU 59 Ca 0.60 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 1jww h GLU 59 Cb 1.54 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1jww h GLU 59 CO -0.30 0.27 -0.08 0.00 -0.73 0.00 0.00 179.01 178.16 1jww h ALA 60 N 1.72 -0.23 -0.39 2.92 0.00 -0.89 0.74 119.26 123.14 1jww h ALA 60 Ca 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jww h ALA 60 Cb 0.39 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jww h ALA 60 CO -0.06 -0.58 0.23 0.28 0.00 0.00 0.00 179.25 179.12 1jww h VAL 61 N -0.32 1.14 0.28 0.00 2.07 -1.45 0.25 116.25 118.22 1jww h VAL 61 Ca -0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jww h VAL 61 Cb 0.25 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1jww h VAL 61 CO 0.04 0.14 -0.29 -0.78 0.02 0.00 0.00 177.57 176.69 1jww h ASP 62 N 0.51 -0.80 -0.54 0.57 1.82 -0.45 -1.14 116.42 116.38 1jww h ASP 62 Ca 0.14 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1jww h ASP 62 Cb 0.02 0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 1jww h ASP 62 CO -0.02 -0.42 0.36 0.50 -1.61 0.00 0.00 179.24 178.05 1jww h LYS 63 N -0.61 0.70 -0.63 0.28 3.11 -0.78 0.79 116.57 119.42 1jww h LYS 63 Ca -0.01 -0.04 0.13 0.00 -2.81 0.00 0.00 60.65 57.92 1jww h LYS 63 Cb 0.57 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 1jww h LYS 63 CO -0.07 0.46 0.43 -0.07 -2.81 0.00 0.00 179.45 177.39 1jww h LEU 64 N 0.72 0.27 0.00 5.20 4.07 0.27 -3.46 115.31 122.37 1jww h LEU 64 Ca 0.20 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1jww h LEU 64 Cb -0.05 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1jww h LEU 64 CO -0.05 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 1jww n GLY 65 N -1.55 0.40 3.09 0.83 0.00 0.27 -5.08 105.19 103.15 1jww n GLY 65 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.52 0.78 -0.06 1.61 1.13 -1.18 -5.02 117.35 114.09 1jww s TYR 66 Ca 0.00 -0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 55.10 1jww s TYR 66 Cb 0.00 -0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 40.37 1jww s TYR 66 CO 0.00 -0.07 0.06 0.21 -2.51 0.00 0.00 175.55 173.24 1jww s LYS 67 N -1.88 3.08 0.03 -3.49 2.36 -0.33 -2.87 119.74 116.65 1jww s LYS 67 Ca -0.06 -0.40 0.08 0.00 -2.55 0.00 0.00 55.97 53.04 1jww s LYS 67 Cb -0.08 -2.88 -0.03 0.00 -1.05 0.00 0.00 37.83 33.79 1jww s LYS 67 CO 0.00 0.69 -0.23 -1.17 1.55 0.00 0.00 175.35 176.19 1jww s LEU 68 N -1.27 2.34 0.04 5.43 2.96 -1.26 -1.19 118.68 125.73 1jww s LEU 68 Ca 0.17 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 1jww s LEU 68 Cb -0.12 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1jww s LEU 68 CO 0.07 0.27 0.23 -0.75 -1.32 0.00 0.00 176.35 174.85 1jww s LYS 69 N -1.23 0.73 0.80 1.98 2.47 -1.15 -4.90 119.74 118.44 1jww s LYS 69 Ca 0.13 -0.58 -0.12 0.00 -1.56 0.00 0.00 55.97 53.83 1jww s LYS 69 Cb -0.10 0.31 0.08 0.00 -1.46 0.00 0.00 37.83 36.65 1jww s LYS 69 CO 0.03 -0.22 1.15 -1.17 0.16 0.00 0.00 175.35 175.30 1jww s LEU 70 N -2.07 3.09 -0.01 5.43 2.96 -1.26 -0.17 118.68 126.65 1jww s LEU 70 Ca -0.05 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 56.00 1jww s LEU 70 Cb -0.01 -4.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.11 1jww s LEU 70 CO -0.04 -2.48 -0.04 1.17 -1.32 0.00 0.00 176.35 173.64 1jww n LYS 71 N -3.41 0.07 0.00 1.98 4.81 0.69 -4.54 118.16 117.75 1jww n LYS 71 Ca 0.12 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1jww n LYS 71 Cb 0.52 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.15 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 0.00 1.17 3.14 0.00 -1.25 -5.04 105.19 105.83 1jww n GLY 72 Ca -0.02 0.00 0.15 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 -2.53 -3.10 1.61 1.02 -1.26 -4.89 120.64 111.49 1jww n GLU 73 Ca 0.00 1.88 -0.38 0.00 -0.02 0.00 0.00 57.16 58.64 1jww n GLU 73 Cb 0.00 -3.02 -0.06 0.00 -0.02 0.00 0.00 31.44 28.34 1jww n GLU 73 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1jww s GLN 74 N -2.97 4.37 -0.72 3.49 -2.07 -1.10 -4.53 119.66 116.14 1jww s GLN 74 Ca 0.00 0.96 -0.22 0.00 -1.82 0.00 0.00 55.36 54.27 1jww s GLN 74 Cb 0.00 -3.15 -0.17 0.00 -1.09 0.00 0.00 33.01 28.60 1jww s GLN 74 CO 0.00 0.54 1.90 -0.25 -1.32 0.00 0.00 175.29 176.17 1jww n ASP 75 N 1.39 2.45 -4.51 12.60 9.92 -1.26 -4.89 116.55 132.25 1jww n ASP 75 Ca -0.06 -2.66 -0.43 0.00 -0.53 0.00 0.00 54.79 51.11 1jww n ASP 75 Cb 0.50 -1.07 -0.05 0.00 -0.64 0.00 0.00 41.12 39.87 1jww n ASP 75 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1jww s SER 76 N 5.10 6.33 0.34 -2.24 0.01 -1.26 -4.89 113.70 117.09 1jww s SER 76 Ca 0.58 -0.44 0.18 0.00 1.31 0.00 0.00 55.95 57.58 1jww s SER 76 Cb 0.14 -2.40 0.18 0.00 0.21 0.00 0.00 66.02 64.16 1jww s SER 76 CO 0.13 -1.12 1.51 0.40 0.41 0.00 0.00 173.24 174.58 1jww h ILE 77 N 5.98 0.52 -3.96 1.44 2.04 -2.06 -3.46 117.51 118.01 1jww h ILE 77 Ca -0.26 -1.73 -0.54 0.00 1.00 0.00 0.00 64.86 63.33 1jww h ILE 77 Cb 1.08 2.25 0.11 0.00 -0.74 0.00 0.00 36.82 39.52 1jww h ILE 77 CO 1.05 0.30 0.74 -0.70 0.00 0.00 0.00 178.15 179.54 1jww s GLU 78 N -3.06 3.96 0.00 2.37 2.12 -1.26 -4.96 118.70 117.86 1jww s GLU 78 Ca 0.05 2.49 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1jww s GLU 78 Cb 0.07 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1jww s GLU 78 CO 0.71 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1jww n GLY 79 N 0.52 -1.04 0.53 -1.50 0.00 -1.26 -5.24 105.19 97.19 1jww n GLY 79 Ca 0.02 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.32 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19