#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djw s ILE 2 N 0.00 4.83 -0.05 1.12 1.01 0.26 -4.83 121.20 123.55 2djw s ILE 2 Ca 0.00 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 2djw s ILE 2 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2djw s ILE 2 CO 0.00 0.39 0.09 -0.89 0.00 0.00 0.00 174.94 174.53 2djw s THR 3 N -1.30 4.88 0.02 2.92 2.01 -1.26 0.15 115.64 123.06 2djw s THR 3 Ca 0.33 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 2djw s THR 3 Cb -0.17 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2djw s THR 3 CO 0.18 0.46 -0.03 0.00 -0.69 0.00 0.00 174.62 174.55 2djw s ALA 4 N -1.11 0.11 -0.28 7.40 0.00 -1.08 -0.03 121.76 126.78 2djw s ALA 4 Ca 0.20 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2djw s ALA 4 Cb -0.12 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2djw s ALA 4 CO 0.10 -0.15 -0.01 -0.06 0.00 0.00 0.00 175.76 175.64 2djw s PHE 5 N -1.36 3.15 -0.32 0.00 0.08 0.43 -1.85 117.98 118.12 2djw s PHE 5 Ca -0.15 -1.55 -0.12 0.00 0.12 0.00 0.00 56.93 55.23 2djw s PHE 5 Cb -0.09 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2djw s PHE 5 CO -0.01 -0.73 0.22 0.08 -0.10 0.00 0.00 175.22 174.68 2djw s VAL 6 N 1.33 5.22 -0.28 -0.44 1.01 0.52 -0.18 120.40 127.59 2djw s VAL 6 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2djw s VAL 6 Cb -0.18 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2djw s VAL 6 CO -0.02 0.08 0.44 -0.76 0.00 0.00 0.00 175.10 174.84 2djw s LEU 7 N 1.72 4.10 -0.22 3.92 1.02 0.30 0.25 118.68 129.77 2djw s LEU 7 Ca 0.06 0.31 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 2djw s LEU 7 Cb -0.17 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.53 2djw s LEU 7 CO 0.10 -0.26 -0.10 -0.63 0.02 0.00 0.00 176.35 175.47 2djw s ILE 8 N 2.20 2.74 -0.49 -0.59 1.09 0.56 0.19 121.20 126.90 2djw s ILE 8 Ca 0.18 -0.84 -0.16 0.00 -1.10 0.00 0.00 60.65 58.72 2djw s ILE 8 Cb -0.16 -2.28 0.08 0.00 -1.06 0.00 0.00 42.46 39.05 2djw s ILE 8 CO 0.10 0.38 0.45 -0.60 -0.10 0.00 0.00 174.94 175.17 2djw s ARG 9 N 1.36 3.00 0.48 2.79 3.52 0.74 -1.49 118.95 129.34 2djw s ARG 9 Ca 0.03 -1.38 -0.03 0.00 -0.13 0.00 0.00 55.73 54.22 2djw s ARG 9 Cb -0.15 -4.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.06 2djw s ARG 9 CO -0.07 -1.12 0.75 -1.25 -0.81 0.00 0.00 175.30 172.80 2djw s PRO 10 N 1.76 3.26 0.25 5.12 0.04 -1.26 -0.68 135.00 143.48 2djw s PRO 10 Ca 0.05 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.68 2djw s PRO 10 Cb -0.25 -2.44 -0.14 0.00 0.04 0.00 0.00 34.50 31.71 2djw s PRO 10 CO 0.06 -0.29 1.25 -2.13 0.04 0.00 0.00 177.00 175.94 2djw n ARG 11 N -2.23 1.70 -0.13 4.56 0.63 0.62 -4.76 116.66 117.06 2djw n ARG 11 Ca 0.01 0.60 0.15 0.00 -0.92 0.00 0.00 57.85 57.69 2djw n ARG 11 Cb 0.56 -2.15 0.52 0.00 0.45 0.00 0.00 32.46 31.84 2djw n ARG 11 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2djw h GLY 12 N 3.34 0.62 1.63 5.14 0.00 -1.97 -0.78 103.07 111.05 2djw h GLY 12 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2djw h GLY 12 CO 0.70 0.07 -0.08 1.16 0.00 0.00 0.00 176.54 178.38 2djw n ASN 13 N -4.47 0.13 -0.23 0.19 6.94 -1.26 -3.66 115.26 112.89 2djw n ASN 13 Ca 0.13 0.12 0.11 0.00 -0.02 0.00 0.00 54.58 54.92 2djw n ASN 13 Cb 0.49 -0.30 0.08 0.00 -2.36 0.00 0.00 39.78 37.70 2djw n ASN 13 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2djw n ARG 14 N -1.38 0.62 -0.24 -3.83 5.12 -0.30 -4.67 116.66 111.98 2djw n ARG 14 Ca 0.09 -0.47 -0.06 0.00 -1.93 0.00 0.00 57.85 55.48 2djw n ARG 14 Cb 0.31 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 2djw n ARG 14 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2djw h VAL 15 N 1.15 0.10 -0.03 1.55 2.07 -1.62 0.12 116.25 119.58 2djw h VAL 15 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2djw h VAL 15 Cb 0.60 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2djw h VAL 15 CO 0.00 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 179.10 2djw h GLN 16 N -0.17 0.09 -0.62 1.57 4.20 -1.89 0.18 115.11 118.47 2djw h GLN 16 Ca 0.22 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.94 2djw h GLN 16 Cb 0.56 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.25 2djw h GLN 16 CO -0.74 0.59 -0.56 0.00 -0.67 0.00 0.00 178.83 177.45 2djw h ALA 17 N 0.49 -0.69 -0.77 3.87 0.00 -1.80 0.54 119.26 120.90 2djw h ALA 17 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2djw h ALA 17 Cb 0.59 1.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2djw h ALA 17 CO 0.01 -1.01 0.32 -0.07 0.00 0.00 0.00 179.25 178.50 2djw h LEU 18 N -0.24 1.04 -0.11 0.00 3.38 -0.70 -1.03 115.31 117.64 2djw h LEU 18 Ca 0.10 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2djw h LEU 18 Cb 0.52 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2djw h LEU 18 CO -0.72 0.91 -0.36 1.23 0.09 0.00 0.00 178.44 179.59 2djw h GLY 19 N 1.14 -0.57 1.07 0.83 0.00 -0.01 0.02 103.07 105.56 2djw h GLY 19 Ca 0.26 0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.95 2djw h GLY 19 CO -0.02 -0.23 0.07 0.83 0.00 0.00 0.00 176.54 177.19 2djw h GLU 20 N -0.45 1.08 -0.69 4.80 5.08 -0.54 -2.11 114.58 121.75 2djw h GLU 20 Ca 0.08 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2djw h GLU 20 Cb 0.59 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2djw h GLU 20 CO -0.36 1.01 0.32 0.00 -1.00 0.00 0.00 179.01 178.99 2djw h ALA 21 N 1.02 0.89 -0.32 3.43 0.00 -1.03 -3.10 119.26 120.15 2djw h ALA 21 Ca 0.19 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2djw h ALA 21 Cb 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2djw h ALA 21 CO 0.02 0.46 -0.25 0.82 0.00 0.00 0.00 179.25 180.30 2djw h ILE 22 N 0.96 1.27 -0.02 0.00 1.08 -0.80 -1.89 117.51 118.12 2djw h ILE 22 Ca 0.24 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 2djw h ILE 22 Cb 0.13 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2djw h ILE 22 CO -0.03 0.44 0.07 0.00 -0.69 0.00 0.00 178.15 177.93 2djw h ALA 23 N 1.16 1.19 0.08 1.87 0.00 -1.31 -2.93 119.26 119.32 2djw h ALA 23 Ca 0.08 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2djw h ALA 23 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2djw h ALA 23 CO 0.06 -0.08 -1.14 0.93 0.00 0.00 0.00 179.25 179.02 2djw h GLU 24 N 0.00 0.18 -6.46 0.00 4.39 -1.28 -3.46 114.58 107.95 2djw h GLU 24 Ca 0.01 -0.30 -0.59 0.00 0.34 0.00 0.00 59.36 58.82 2djw h GLU 24 Cb 0.14 0.11 0.05 0.00 -0.10 0.00 0.00 28.75 28.95 2djw h GLU 24 CO -0.00 1.13 0.89 1.28 -1.16 0.00 0.00 179.01 181.15 2djw n LEU 25 N -3.49 3.24 0.31 1.33 4.77 -1.11 -4.88 117.00 117.18 2djw n LEU 25 Ca -0.05 1.05 0.18 0.00 -0.03 0.00 0.00 56.01 57.16 2djw n LEU 25 Cb 0.98 -1.42 1.03 0.00 -2.33 0.00 0.00 43.42 41.68 2djw n LEU 25 CO 0.51 -0.20 1.15 1.55 -1.33 0.00 0.00 177.39 179.07 2djw h PRO 26 N 6.81 0.00 -0.00 3.23 0.13 -1.89 -1.66 132.00 138.61 2djw h PRO 26 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2djw h PRO 26 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2djw h PRO 26 CO 0.91 0.00 -0.24 1.04 -0.23 0.00 0.00 178.00 179.48 2djw n GLN 27 N -3.53 0.18 -3.12 0.86 3.00 -1.26 -4.81 117.38 108.69 2djw n GLN 27 Ca -0.03 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 2djw n GLN 27 Cb 0.09 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.77 2djw n GLN 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2djw s VAL 28 N -2.87 4.92 -0.04 5.09 1.01 -0.63 -0.85 120.40 127.05 2djw s VAL 28 Ca 0.16 0.68 0.13 0.00 0.00 0.00 0.00 61.98 62.95 2djw s VAL 28 Cb 0.19 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 2djw s VAL 28 CO 0.59 -0.23 0.84 0.00 0.00 0.00 0.00 175.10 176.29 2djw h ALA 29 N 8.34 0.68 -2.32 5.51 0.00 -1.22 -3.48 119.26 126.78 2djw h ALA 29 Ca -0.27 -1.20 -0.07 0.00 0.00 0.00 0.00 54.91 53.37 2djw h ALA 29 Cb 1.11 0.31 -0.22 0.00 0.00 0.00 0.00 17.79 18.99 2djw h ALA 29 CO 0.82 1.35 -0.04 -1.21 0.00 0.00 0.00 179.25 180.17 2djw s GLU 30 N -2.70 0.67 -0.02 0.00 2.02 -1.07 -5.03 118.70 112.57 2djw s GLU 30 Ca -0.03 0.84 -0.03 0.00 0.02 0.00 0.00 54.97 55.77 2djw s GLU 30 Cb 0.08 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.62 2djw s GLU 30 CO 0.82 -0.09 0.07 0.54 0.02 0.00 0.00 175.26 176.62 2djw s VAL 31 N 0.47 0.02 0.02 2.63 0.11 -1.26 -0.64 120.40 121.74 2djw s VAL 31 Ca -0.01 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 2djw s VAL 31 Cb -0.04 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2djw s VAL 31 CO -0.01 -0.07 0.01 -0.31 -3.33 0.00 0.00 175.10 171.38 2djw s TYR 32 N -0.20 0.22 -0.02 1.54 2.02 -0.64 -4.99 117.35 115.28 2djw s TYR 32 Ca -0.03 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 2djw s TYR 32 Cb -0.02 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2djw s TYR 32 CO 0.00 -0.22 1.06 -1.12 -1.57 0.00 0.00 175.55 173.70 2djw s SER 33 N -1.51 7.24 0.16 2.29 0.01 -1.26 -1.38 113.70 119.26 2djw s SER 33 Ca -0.15 1.72 0.06 0.00 1.31 0.00 0.00 55.95 58.89 2djw s SER 33 Cb -0.09 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2djw s SER 33 CO -0.01 -0.39 -0.12 0.68 0.41 0.00 0.00 173.24 173.81 2djw s VAL 34 N 1.43 1.41 0.79 3.43 -7.23 0.13 -4.98 120.40 115.38 2djw s VAL 34 Ca 0.53 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2djw s VAL 34 Cb -0.22 -1.87 0.07 0.00 0.56 0.00 0.00 36.38 34.92 2djw s VAL 34 CO 0.25 -0.63 1.09 0.42 -0.31 0.00 0.00 175.10 175.92 2djw s THR 35 N -2.99 3.22 0.00 5.32 -4.23 -1.26 -4.58 115.64 111.12 2djw s THR 35 Ca 0.17 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2djw s THR 35 Cb 0.00 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2djw s THR 35 CO 0.03 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2djw n GLY 36 N -1.18 -0.17 0.03 3.99 0.00 -1.26 -4.71 105.19 101.89 2djw n GLY 36 Ca 0.09 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.99 2djw n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djw n PRO 37 N 0.00 0.18 -4.20 1.61 -0.04 -1.26 -4.64 135.00 126.65 2djw n PRO 37 Ca 0.00 -0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 2djw n PRO 37 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 2djw n PRO 37 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2djw s TYR 38 N -2.86 2.46 0.35 0.54 2.02 -1.26 -4.86 117.35 113.75 2djw s TYR 38 Ca 0.17 -1.37 0.13 0.00 -0.37 0.00 0.00 57.07 55.63 2djw s TYR 38 Cb 0.19 -1.74 0.67 0.00 -0.40 0.00 0.00 41.96 40.69 2djw s TYR 38 CO 0.56 -0.70 1.80 -0.44 -1.57 0.00 0.00 175.55 175.20 2djw h ASP 39 N 7.84 0.00 -4.38 2.29 3.32 -1.75 -3.42 116.42 120.32 2djw h ASP 39 Ca -0.40 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.01 2djw h ASP 39 Cb 1.15 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 2djw h ASP 39 CO 0.57 0.41 -0.87 -0.76 -1.72 0.00 0.00 179.24 176.87 2djw s LEU 40 N -8.07 2.12 -0.08 1.55 1.43 -0.56 -0.70 118.68 114.37 2djw s LEU 40 Ca -0.02 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2djw s LEU 40 Cb 0.14 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.22 2djw s LEU 40 CO 0.73 0.24 -0.14 -0.69 0.23 0.00 0.00 176.35 176.72 2djw s VAL 41 N -0.70 1.34 -0.23 -1.59 1.01 -0.48 -0.32 120.40 119.42 2djw s VAL 41 Ca 0.09 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2djw s VAL 41 Cb -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2djw s VAL 41 CO 0.01 0.40 0.09 0.00 0.00 0.00 0.00 175.10 175.60 2djw s ALA 42 N 0.78 3.30 -0.48 5.51 0.00 0.14 -1.63 121.76 129.39 2djw s ALA 42 Ca -0.12 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 2djw s ALA 42 Cb -0.16 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2djw s ALA 42 CO 0.02 -0.30 0.90 -1.17 0.00 0.00 0.00 175.76 175.21 2djw s LEU 43 N 1.26 4.08 0.11 0.00 2.96 0.19 -0.35 118.68 126.93 2djw s LEU 43 Ca 0.05 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2djw s LEU 43 Cb -0.14 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 2djw s LEU 43 CO 0.04 -1.06 0.04 -0.69 -1.32 0.00 0.00 176.35 173.37 2djw s VAL 44 N 3.69 4.17 -0.11 1.68 1.01 -0.77 -0.68 120.40 129.39 2djw s VAL 44 Ca 0.34 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2djw s VAL 44 Cb -0.11 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2djw s VAL 44 CO 0.24 0.05 -0.15 -0.13 0.00 0.00 0.00 175.10 175.11 2djw s ARG 45 N -2.56 2.17 -0.01 2.72 1.81 -0.03 -2.62 118.95 120.43 2djw s ARG 45 Ca 0.28 -0.54 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2djw s ARG 45 Cb -0.11 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.49 2djw s ARG 45 CO 0.20 -0.09 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.02 2djw s LEU 46 N 1.07 2.43 0.11 2.53 1.43 0.40 -4.77 118.68 121.88 2djw s LEU 46 Ca -0.05 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 2djw s LEU 46 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2djw s LEU 46 CO -0.03 0.31 1.64 0.50 0.23 0.00 0.00 176.35 179.00 2djw h LYS 47 N 5.17 0.50 -4.22 1.70 1.63 -1.95 0.75 116.57 120.14 2djw h LYS 47 Ca -0.46 -0.10 -0.27 0.00 -0.85 0.00 0.00 60.65 58.97 2djw h LYS 47 Cb 1.14 -0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.60 2djw h LYS 47 CO 0.48 0.52 -0.27 0.16 -3.45 0.00 0.00 179.45 176.89 2djw s ASP 48 N -5.81 0.81 0.19 4.20 1.47 -1.26 -4.58 116.67 111.69 2djw s ASP 48 Ca -0.13 -1.44 -0.12 0.00 1.18 0.00 0.00 52.55 52.03 2djw s ASP 48 Cb 0.09 0.61 0.12 0.00 -0.34 0.00 0.00 42.92 43.39 2djw s ASP 48 CO 0.74 -1.19 1.86 0.58 0.68 0.00 0.00 175.17 177.83 2djw h VAL 49 N 2.19 1.15 0.00 2.11 2.07 -1.99 -2.93 116.25 118.85 2djw h VAL 49 Ca -0.28 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2djw h VAL 49 Cb 1.24 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2djw h VAL 49 CO 0.40 0.15 -0.00 -0.33 0.02 0.00 0.00 177.57 177.81 2djw h GLU 50 N 0.85 0.00 0.00 1.57 3.07 -2.01 0.66 114.58 118.72 2djw h GLU 50 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2djw h GLU 50 Cb -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2djw h GLU 50 CO -0.06 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.65 2djw n GLU 51 N -3.24 0.14 0.02 2.33 2.13 -1.11 -2.12 120.64 118.79 2djw n GLU 51 Ca -0.03 0.38 0.08 0.00 0.66 0.00 0.00 57.16 58.26 2djw n GLU 51 Cb 0.09 -1.77 0.50 0.00 0.27 0.00 0.00 31.44 30.53 2djw n GLU 51 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2djw h LEU 52 N 0.00 0.33 -0.61 4.31 3.38 -1.04 -2.15 115.31 119.53 2djw h LEU 52 Ca 0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2djw h LEU 52 Cb 0.32 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2djw h LEU 52 CO 0.00 0.23 0.38 -0.78 0.09 0.00 0.00 178.44 178.36 2djw h ASP 53 N 0.38 0.63 -0.74 -0.43 3.58 -1.64 0.12 116.42 118.31 2djw h ASP 53 Ca 0.17 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.65 2djw h ASP 53 Cb 0.20 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2djw h ASP 53 CO -0.04 0.44 0.47 0.44 -2.88 0.00 0.00 179.24 177.68 2djw h ASP 54 N 0.76 0.79 0.16 2.28 3.32 -1.57 -0.01 116.42 122.14 2djw h ASP 54 Ca 0.24 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 57.01 2djw h ASP 54 Cb 0.00 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.39 2djw h ASP 54 CO -0.09 0.55 -1.33 1.62 -1.72 0.00 0.00 179.24 178.27 2djw h VAL 55 N 0.93 1.18 0.00 -1.35 3.04 -1.27 -2.49 116.25 116.29 2djw h VAL 55 Ca 0.29 -2.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 2djw h VAL 55 Cb -0.01 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2djw h VAL 55 CO -0.10 0.75 -0.43 0.52 -1.01 0.00 0.00 177.57 177.30 2djw n VAL 56 N -3.89 1.13 -0.05 1.51 0.31 0.38 0.03 118.33 117.75 2djw n VAL 56 Ca -0.21 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 2djw n VAL 56 Cb 0.94 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 2djw n VAL 56 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2djw h THR 57 N -0.79 1.32 0.00 2.52 2.02 -1.49 0.43 112.91 116.92 2djw h THR 57 Ca 0.00 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.46 2djw h THR 57 Cb 0.43 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2djw h THR 57 CO 0.00 0.54 -1.40 0.00 0.37 0.00 0.00 175.52 175.03 2djw n GLN 58 N -4.17 0.58 -0.06 6.66 1.13 -0.08 -3.72 117.38 117.73 2djw n GLN 58 Ca -0.06 -0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 54.91 2djw n GLN 58 Cb 0.59 -1.68 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 2djw n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2djw n GLY 59 N 1.24 -0.44 0.11 1.08 0.00 -0.94 -4.34 105.19 101.89 2djw n GLY 59 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2djw n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2djw h ILE 60 N -0.75 1.40 0.00 -0.61 2.04 0.18 -3.38 117.51 116.39 2djw h ILE 60 Ca 0.00 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.43 2djw h ILE 60 Cb 0.75 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 2djw h ILE 60 CO 0.00 0.66 0.00 0.18 0.00 0.00 0.00 178.15 178.99 2djw n LEU 61 N -4.20 0.00 -0.81 1.44 4.77 0.15 -1.66 117.00 116.69 2djw n LEU 61 Ca -0.17 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.34 2djw n LEU 61 Cb 0.76 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.56 2djw n LEU 61 CO 0.41 -0.01 0.64 -1.54 -1.33 0.00 0.00 177.39 175.56 2djw n SER 62 N -1.47 2.34 -4.82 -1.43 3.41 -1.24 -4.88 113.62 105.53 2djw n SER 62 Ca 0.08 -2.06 -0.34 0.00 -0.26 0.00 0.00 58.87 56.29 2djw n SER 62 Cb 0.32 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2djw n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2djw s LEU 63 N -1.06 4.06 0.02 1.04 1.43 -0.66 -5.01 118.68 118.50 2djw s LEU 63 Ca 0.27 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 2djw s LEU 63 Cb 0.15 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 2djw s LEU 63 CO 0.17 0.31 1.42 -0.70 0.23 0.00 0.00 176.35 177.78 2djw s GLU 64 N -1.52 4.28 0.00 1.70 2.56 -1.26 -3.80 118.70 120.66 2djw s GLU 64 Ca 0.21 2.01 0.00 0.00 0.00 0.00 0.00 54.97 57.19 2djw s GLU 64 Cb -0.12 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.49 2djw s GLU 64 CO 0.11 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 2djw n GLY 65 N 3.65 0.81 3.64 -1.50 0.00 -1.26 -4.92 105.19 105.61 2djw n GLY 65 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2djw n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2djw s VAL 66 N -2.00 4.70 -0.11 1.61 -7.23 -1.25 -0.27 120.40 115.85 2djw s VAL 66 Ca 0.00 1.64 -0.05 0.00 -1.81 0.00 0.00 61.98 61.76 2djw s VAL 66 Cb 0.00 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.65 2djw s VAL 66 CO 0.00 -0.25 0.11 -0.33 -0.31 0.00 0.00 175.10 174.32 2djw h GLU 67 N 7.84 0.00 -4.58 4.82 5.08 -1.20 -3.48 114.58 123.06 2djw h GLU 67 Ca -0.22 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 2djw h GLU 67 Cb 1.08 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.08 2djw h GLU 67 CO 0.95 0.15 -0.75 1.03 -1.00 0.00 0.00 179.01 179.39 2djw s ARG 68 N -1.67 0.55 0.05 2.33 1.81 -1.01 -5.03 118.95 115.98 2djw s ARG 68 Ca -0.03 -0.55 0.09 0.00 -1.72 0.00 0.00 55.73 53.52 2djw s ARG 68 Cb -0.00 -0.43 -0.03 0.00 -0.45 0.00 0.00 34.95 34.04 2djw s ARG 68 CO 0.11 0.10 -0.25 -0.08 -0.68 0.00 0.00 175.30 174.50 2djw s THR 69 N -0.84 2.05 -0.09 0.02 -1.32 -1.26 -0.18 115.64 114.02 2djw s THR 69 Ca -0.04 -1.36 -0.02 0.00 -1.21 0.00 0.00 61.69 59.06 2djw s THR 69 Cb -0.07 -1.76 0.04 0.00 -1.51 0.00 0.00 72.50 69.21 2djw s THR 69 CO 0.00 0.33 0.05 -0.70 -2.21 0.00 0.00 174.62 172.09 2djw s GLU 70 N -1.23 0.22 -0.24 7.08 2.12 0.13 -4.97 118.70 121.81 2djw s GLU 70 Ca 0.11 0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.45 2djw s GLU 70 Cb -0.10 -1.07 -0.05 0.00 0.26 0.00 0.00 34.13 33.18 2djw s GLU 70 CO 0.02 -0.42 0.20 0.99 -0.54 0.00 0.00 175.26 175.51 2djw s THR 71 N 2.07 5.33 -0.51 -1.70 2.01 -1.26 -0.54 115.64 121.04 2djw s THR 71 Ca 0.04 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 2djw s THR 71 Cb -0.13 -3.54 0.13 0.00 0.01 0.00 0.00 72.50 68.96 2djw s THR 71 CO -0.05 0.32 0.43 -0.76 -0.69 0.00 0.00 174.62 173.86 2djw s LEU 72 N 1.20 5.96 -0.18 4.42 1.02 0.74 -4.96 118.68 126.88 2djw s LEU 72 Ca 0.09 -1.88 -0.19 0.00 0.02 0.00 0.00 54.13 52.17 2djw s LEU 72 Cb -0.14 -2.11 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 2djw s LEU 72 CO 0.06 -0.77 0.54 -0.22 0.02 0.00 0.00 176.35 175.98 2djw s LEU 73 N 1.44 4.17 -0.34 1.79 0.20 -1.26 -0.43 118.68 124.25 2djw s LEU 73 Ca 0.05 0.74 -0.26 0.00 0.69 0.00 0.00 54.13 55.34 2djw s LEU 73 Cb -0.28 -2.75 0.01 0.00 -0.43 0.00 0.00 46.19 42.75 2djw s LEU 73 CO 0.01 -0.17 0.95 0.00 -0.29 0.00 0.00 176.35 176.85 2djw s ALA 74 N 1.52 3.46 -0.14 5.97 0.00 0.96 -4.90 121.76 128.64 2djw s ALA 74 Ca 0.26 -0.30 0.22 0.00 0.00 0.00 0.00 51.96 52.13 2djw s ALA 74 Cb -0.16 -3.54 -0.32 0.00 0.00 0.00 0.00 23.12 19.11 2djw s ALA 74 CO 0.10 -1.48 0.54 1.97 0.00 0.00 0.00 175.76 176.89 2djw n PHE 75 N 6.69 0.01 -3.73 0.00 1.16 -1.26 -4.27 117.46 116.06 2djw n PHE 75 Ca 0.08 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.51 2djw n PHE 75 Cb 0.48 -0.45 -0.16 0.00 -1.61 0.00 0.00 39.48 37.74 2djw n PHE 75 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2djw s ARG 76 N -3.46 0.00 0.03 3.97 3.52 -1.26 -5.13 118.95 116.62 2djw s ARG 76 Ca -0.06 0.33 -0.15 0.00 -0.13 0.00 0.00 55.73 55.72 2djw s ARG 76 Cb 0.14 -0.28 -0.06 0.00 -1.56 0.00 0.00 34.95 33.20 2djw s ARG 76 CO 0.90 -0.22 0.45 0.00 -0.81 0.00 0.00 175.30 175.63 2djw s ALA 77 N 1.47 3.67 -0.39 6.12 0.00 -1.26 -5.08 121.76 126.28 2djw s ALA 77 Ca -0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 2djw s ALA 77 Cb -0.12 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.62 2djw s ALA 77 CO -0.04 0.47 0.21 0.71 0.00 0.00 0.00 175.76 177.11 2djw s TYR 78 N -1.12 3.32 0.64 0.00 2.02 -1.26 -5.10 117.35 115.84 2djw s TYR 78 Ca 0.26 -1.48 -0.11 0.00 -0.37 0.00 0.00 57.07 55.37 2djw s TYR 78 Cb -0.17 -2.73 0.16 0.00 -0.40 0.00 0.00 41.96 38.81 2djw s TYR 78 CO 0.15 -0.80 0.64 -0.35 -1.57 0.00 0.00 175.55 173.62 2djw n PRO 79 N 4.88 -1.75 -0.94 -1.71 -0.04 -1.26 -5.34 135.00 128.85 2djw n PRO 79 Ca -0.10 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2djw n PRO 79 Cb 0.44 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2djw n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00