#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 4.78 0.05 1.12 1.01 0.20 -4.90 121.20 123.46 2djw s ILE 2 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 2djw s ILE 2 Cb 0.00 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2djw s ILE 2 CO 0.00 0.43 0.31 -0.89 0.00 0.00 0.00 174.94 174.79 2djw s THR 3 N 0.59 5.24 0.04 2.92 2.01 -1.26 0.19 115.64 125.37 2djw s THR 3 Ca 0.04 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2djw s THR 3 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2djw s THR 3 CO 0.01 0.28 0.06 0.00 -0.69 0.00 0.00 174.62 174.28 2djw s ALA 4 N -1.40 0.03 -0.24 7.40 0.00 -0.71 -2.08 121.76 124.75 2djw s ALA 4 Ca 0.31 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 2djw s ALA 4 Cb -0.13 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2djw s ALA 4 CO 0.19 -0.30 -0.07 -0.06 0.00 0.00 0.00 175.76 175.53 2djw s PHE 5 N -2.55 3.05 -0.26 0.00 0.08 -0.67 -1.34 117.98 116.29 2djw s PHE 5 Ca -0.06 -1.54 -0.09 0.00 0.12 0.00 0.00 56.93 55.36 2djw s PHE 5 Cb -0.02 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2djw s PHE 5 CO -0.04 -0.73 0.14 0.08 -0.10 0.00 0.00 175.22 174.56 2djw s VAL 6 N 1.33 4.88 -0.23 -0.44 1.01 0.44 -0.24 120.40 127.15 2djw s VAL 6 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2djw s VAL 6 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2djw s VAL 6 CO -0.05 0.29 0.17 -0.76 0.00 0.00 0.00 175.10 174.75 2djw s LEU 7 N 1.66 4.14 -0.11 3.92 1.02 0.13 -1.23 118.68 128.21 2djw s LEU 7 Ca 0.07 0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.39 2djw s LEU 7 Cb -0.15 -2.13 0.02 0.00 0.02 0.00 0.00 46.19 43.95 2djw s LEU 7 CO 0.08 0.08 -0.12 -0.63 0.02 0.00 0.00 176.35 175.78 2djw s ILE 8 N 0.91 1.29 -0.41 -0.59 1.01 -0.06 -0.73 121.20 122.62 2djw s ILE 8 Ca 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2djw s ILE 8 Cb -0.13 -1.23 0.06 0.00 0.01 0.00 0.00 42.46 41.18 2djw s ILE 8 CO 0.03 0.41 0.26 -0.60 0.00 0.00 0.00 174.94 175.04 2djw s ARG 9 N 1.29 2.72 0.60 2.79 3.52 0.60 -1.77 118.95 128.69 2djw s ARG 9 Ca -0.01 -1.33 0.01 0.00 -0.13 0.00 0.00 55.73 54.27 2djw s ARG 9 Cb -0.14 -3.81 0.06 0.00 -1.56 0.00 0.00 34.95 29.51 2djw s ARG 9 CO -0.05 -0.88 0.84 -1.25 -0.81 0.00 0.00 175.30 173.15 2djw s PRO 10 N 1.49 2.29 0.38 5.12 0.04 -1.26 -0.48 135.00 142.58 2djw s PRO 10 Ca 0.03 -0.89 -0.27 0.00 0.04 0.00 0.00 61.00 59.91 2djw s PRO 10 Cb -0.22 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 2djw s PRO 10 CO 0.04 -0.93 1.24 0.50 0.04 0.00 0.00 177.00 177.89 2djw s ARG 11 N -4.87 4.13 0.06 4.56 3.52 0.24 -4.72 118.95 121.87 2djw s ARG 11 Ca 0.60 2.02 -0.11 0.00 -0.13 0.00 0.00 55.73 58.11 2djw s ARG 11 Cb -0.09 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 2djw s ARG 11 CO 0.40 -0.31 1.00 0.41 -0.81 0.00 0.00 175.30 175.99 2djw n GLY 12 N 0.73 -2.35 0.04 8.12 0.00 -1.26 -1.13 105.19 109.33 2djw n GLY 12 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2djw n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djw n ASN 13 N -3.76 0.04 -0.10 1.61 0.23 -1.26 -2.37 115.26 109.65 2djw n ASN 13 Ca 0.01 -1.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.07 2djw n ASN 13 Cb 0.09 -0.02 0.01 0.00 -2.08 0.00 0.00 39.78 37.78 2djw n ASN 13 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2djw n ARG 14 N -0.44 1.29 0.25 -3.83 5.12 -0.28 -4.80 116.66 113.97 2djw n ARG 14 Ca 0.00 -0.51 -0.16 0.00 -1.93 0.00 0.00 57.85 55.24 2djw n ARG 14 Cb 0.01 -0.95 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.50 0.18 0.30 1.55 2.07 -1.52 0.17 116.25 119.49 2djw h VAL 15 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2djw h VAL 15 Cb 0.13 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2djw h VAL 15 CO 0.00 0.00 -0.26 -0.61 0.02 0.00 0.00 177.57 176.72 2djw h GLN 16 N -0.83 -0.56 -0.48 1.57 4.15 -1.87 0.16 115.11 117.25 2djw h GLN 16 Ca -0.04 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2djw h GLN 16 Cb 0.74 0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 2djw h GLN 16 CO -0.06 -0.37 0.13 0.00 -1.93 0.00 0.00 178.83 176.60 2djw h ALA 17 N 0.03 0.56 -0.33 3.38 0.00 -1.85 -1.13 119.26 119.91 2djw h ALA 17 Ca -0.02 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2djw h ALA 17 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2djw h ALA 17 CO -0.03 -0.27 -0.22 -0.07 0.00 0.00 0.00 179.25 178.65 2djw h LEU 18 N 0.28 0.64 -0.33 0.00 3.38 -0.41 0.21 115.31 119.08 2djw h LEU 18 Ca 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2djw h LEU 18 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2djw h LEU 18 CO -0.28 0.85 0.19 1.23 0.09 0.00 0.00 178.44 180.53 2djw h GLY 19 N 0.99 0.49 1.02 0.83 0.00 -0.11 0.12 103.07 106.41 2djw h GLY 19 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2djw h GLY 19 CO 0.05 0.21 0.32 0.83 0.00 0.00 0.00 176.54 177.95 2djw h GLU 20 N 0.42 1.07 -0.20 4.80 5.08 -1.05 -2.02 114.58 122.68 2djw h GLU 20 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2djw h GLU 20 Cb 0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2djw h GLU 20 CO -0.02 0.86 0.09 0.00 -1.00 0.00 0.00 179.01 178.93 2djw h ALA 21 N 1.16 0.26 -0.12 3.43 0.00 -0.80 -3.20 119.26 119.98 2djw h ALA 21 Ca 0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2djw h ALA 21 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2djw h ALA 21 CO -0.03 -0.17 -0.31 0.82 0.00 0.00 0.00 179.25 179.57 2djw h ILE 22 N 0.18 1.26 -0.51 0.00 2.04 -0.71 -2.82 117.51 116.94 2djw h ILE 22 Ca 0.07 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.72 2djw h ILE 22 Cb 0.15 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2djw h ILE 22 CO -0.01 0.38 0.34 0.00 0.00 0.00 0.00 178.15 178.86 2djw h ALA 23 N 1.48 1.85 0.00 1.87 0.00 -1.36 -2.64 119.26 120.46 2djw h ALA 23 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2djw h ALA 23 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2djw h ALA 23 CO 0.05 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.30 2djw h GLU 24 N 0.49 0.00 -6.74 0.00 4.39 -1.54 -3.46 114.58 107.73 2djw h GLU 24 Ca 0.22 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.39 2djw h GLU 24 Cb 0.24 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2djw h GLU 24 CO -0.06 0.00 0.91 -0.51 -1.16 0.00 0.00 179.01 178.19 2djw s LEU 25 N -5.27 4.36 0.11 1.33 1.43 -1.00 -4.91 118.68 114.72 2djw s LEU 25 Ca 0.08 2.86 -0.26 0.00 -1.03 0.00 0.00 54.13 55.78 2djw s LEU 25 Cb 0.09 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 2djw s LEU 25 CO 0.59 -0.90 1.43 -0.65 0.23 0.00 0.00 176.35 177.05 2djw h PRO 26 N 5.60 -0.23 0.00 1.29 0.11 -1.89 -2.73 132.00 134.15 2djw h PRO 26 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2djw h PRO 26 Cb 1.21 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2djw h PRO 26 CO 0.85 -0.15 0.00 1.04 -0.21 0.00 0.00 178.00 179.53 2djw n GLN 27 N -4.82 0.27 -2.84 1.05 3.00 -1.26 -4.64 117.38 108.13 2djw n GLN 27 Ca -0.02 0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 2djw n GLN 27 Cb 0.26 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.96 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 -2.49 4.33 0.20 5.09 1.01 -1.03 -0.84 120.40 126.67 2djw s VAL 28 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2djw s VAL 28 Cb 0.11 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 2djw s VAL 28 CO 0.23 -1.50 1.53 0.00 0.00 0.00 0.00 175.10 175.37 2djw h ALA 29 N 9.52 0.75 -2.42 5.51 0.00 -1.61 -3.46 119.26 127.54 2djw h ALA 29 Ca -0.23 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 2djw h ALA 29 Cb 1.06 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.56 2djw h ALA 29 CO 1.19 0.68 -0.13 -1.21 0.00 0.00 0.00 179.25 179.78 2djw s GLU 30 N -4.00 0.72 -0.05 0.00 2.02 -1.11 -5.02 118.70 111.25 2djw s GLU 30 Ca -0.07 0.21 -0.09 0.00 0.02 0.00 0.00 54.97 55.05 2djw s GLU 30 Cb 0.12 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.69 2djw s GLU 30 CO 0.83 -0.17 0.21 0.54 0.02 0.00 0.00 175.26 176.69 2djw s VAL 31 N -0.73 0.03 0.03 2.63 0.11 -1.26 -0.22 120.40 120.99 2djw s VAL 31 Ca -0.08 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 2djw s VAL 31 Cb -0.03 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2djw s VAL 31 CO 0.04 -0.13 0.11 -0.31 -3.33 0.00 0.00 175.10 171.48 2djw s TYR 32 N -0.45 0.16 0.03 1.54 2.02 -0.78 -4.99 117.35 114.88 2djw s TYR 32 Ca -0.06 -0.43 -0.26 0.00 -0.37 0.00 0.00 57.07 55.95 2djw s TYR 32 Cb -0.04 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 2djw s TYR 32 CO 0.01 -0.36 0.82 -1.12 -1.57 0.00 0.00 175.55 173.33 2djw s SER 33 N -2.00 7.25 0.20 2.29 0.01 -1.26 -1.57 113.70 118.62 2djw s SER 33 Ca -0.07 1.49 0.06 0.00 1.31 0.00 0.00 55.95 58.75 2djw s SER 33 Cb -0.02 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2djw s SER 33 CO -0.04 -0.06 -0.10 0.68 0.41 0.00 0.00 173.24 174.13 2djw s VAL 34 N 0.26 1.49 0.80 3.43 -7.23 -0.52 -4.97 120.40 113.66 2djw s VAL 34 Ca 0.42 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2djw s VAL 34 Cb -0.21 -2.09 0.07 0.00 0.56 0.00 0.00 36.38 34.72 2djw s VAL 34 CO 0.24 -0.56 1.09 0.42 -0.31 0.00 0.00 175.10 175.98 2djw s THR 35 N -3.13 3.14 0.00 5.32 -4.23 -1.26 -4.58 115.64 110.91 2djw s THR 35 Ca 0.23 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2djw s THR 35 Cb 0.02 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2djw s THR 35 CO 0.06 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2djw n GLY 36 N -1.71 -0.78 0.00 3.99 0.00 -1.26 -4.68 105.19 100.75 2djw n GLY 36 Ca 0.07 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.18 0.64 -4.38 1.61 -0.04 -1.26 -4.65 135.00 126.74 2djw n PRO 37 Ca 0.00 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2djw n PRO 37 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.29 2.40 -0.15 0.54 2.02 -1.26 -4.94 117.35 113.66 2djw s TYR 38 Ca 0.35 -0.32 0.14 0.00 -0.37 0.00 0.00 57.07 56.87 2djw s TYR 38 Cb 0.19 -1.19 -0.20 0.00 -0.40 0.00 0.00 41.96 40.37 2djw s TYR 38 CO 0.38 0.50 0.06 -0.25 -1.57 0.00 0.00 175.55 174.68 2djw n ASP 39 N 0.21 1.08 -4.19 2.29 9.92 -0.98 -4.64 116.55 120.24 2djw n ASP 39 Ca -0.12 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 53.93 2djw n ASP 39 Cb 0.56 0.92 -0.13 0.00 -0.64 0.00 0.00 41.12 41.83 2djw n ASP 39 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2djw s LEU 40 N -5.14 2.23 -0.07 0.64 1.43 -0.73 -1.44 118.68 115.60 2djw s LEU 40 Ca -0.08 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2djw s LEU 40 Cb 0.05 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.63 2djw s LEU 40 CO 0.65 0.01 -0.05 -0.69 0.23 0.00 0.00 176.35 176.51 2djw s VAL 41 N -1.04 0.68 -0.17 -1.59 1.01 -0.61 -0.88 120.40 117.80 2djw s VAL 41 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2djw s VAL 41 Cb -0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2djw s VAL 41 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.40 2djw s ALA 42 N 1.28 3.13 -0.14 5.51 0.00 -0.36 -1.86 121.76 129.32 2djw s ALA 42 Ca -0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2djw s ALA 42 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2djw s ALA 42 CO -0.02 0.12 0.39 -1.17 0.00 0.00 0.00 175.76 175.09 2djw s LEU 43 N 0.50 4.26 -0.01 0.00 2.96 0.69 -0.42 118.68 126.67 2djw s LEU 43 Ca -0.01 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2djw s LEU 43 Cb -0.14 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 2djw s LEU 43 CO 0.02 0.04 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.30 2djw s VAL 44 N 0.57 0.85 -0.11 1.68 1.01 -0.45 -1.78 120.40 122.17 2djw s VAL 44 Ca 0.22 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2djw s VAL 44 Cb -0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2djw s VAL 44 CO 0.07 0.23 -0.21 -0.13 0.00 0.00 0.00 175.10 175.06 2djw s ARG 45 N -0.28 3.13 -0.02 2.72 1.81 -0.02 -1.74 118.95 124.55 2djw s ARG 45 Ca 0.04 -0.83 0.05 0.00 -1.72 0.00 0.00 55.73 53.27 2djw s ARG 45 Cb -0.04 -2.38 -0.01 0.00 -0.45 0.00 0.00 34.95 32.06 2djw s ARG 45 CO -0.00 0.18 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.11 2djw s LEU 46 N 0.36 2.02 0.17 2.53 1.43 0.13 -4.71 118.68 120.60 2djw s LEU 46 Ca -0.17 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2djw s LEU 46 Cb -0.17 -0.94 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 2djw s LEU 46 CO 0.08 0.21 1.37 0.11 0.23 0.00 0.00 176.35 178.35 2djw h LYS 47 N 5.78 0.00 -4.08 1.70 1.57 -1.96 0.57 116.57 120.15 2djw h LYS 47 Ca -0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 2djw h LYS 47 Cb 1.15 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.31 2djw h LYS 47 CO 0.48 0.87 -0.58 0.34 -0.57 0.00 0.00 179.45 179.99 2djw s ASP 48 N -6.71 0.36 0.40 0.86 -1.08 -1.26 -4.74 116.67 104.50 2djw s ASP 48 Ca 0.01 -0.86 0.20 0.00 -0.52 0.00 0.00 52.55 51.38 2djw s ASP 48 Cb 0.10 0.24 0.79 0.00 -1.46 0.00 0.00 42.92 42.59 2djw s ASP 48 CO 0.80 -0.63 1.78 -0.37 0.52 0.00 0.00 175.17 177.28 2djw h VAL 49 N 3.08 0.82 -0.64 1.11 -1.51 -1.97 -3.02 116.25 114.13 2djw h VAL 49 Ca -0.34 -1.35 0.18 0.00 -1.23 0.00 0.00 66.70 63.97 2djw h VAL 49 Cb 1.16 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 32.13 2djw h VAL 49 CO 0.62 0.32 0.48 1.05 -1.23 0.00 0.00 177.57 178.80 2djw h GLU 50 N 0.00 0.00 0.00 5.19 -0.00 -2.01 -1.24 114.58 116.52 2djw h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2djw h GLU 50 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.56 2djw h GLU 50 CO 0.04 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 177.14 2djw n GLU 51 N -4.26 0.07 0.29 1.06 2.13 -1.14 0.38 120.64 119.17 2djw n GLU 51 Ca 0.12 0.55 0.18 0.00 0.66 0.00 0.00 57.16 58.67 2djw n GLU 51 Cb 0.73 -1.72 0.78 0.00 0.27 0.00 0.00 31.44 31.50 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 0.00 0.58 4.31 3.38 -1.46 -0.82 115.31 121.31 2djw h LEU 52 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2djw h LEU 52 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2djw h LEU 52 CO 0.00 0.00 -0.28 -0.78 0.09 0.00 0.00 178.44 177.47 2djw h ASP 53 N 0.00 -0.66 0.41 -0.43 3.58 -0.29 0.10 116.42 119.13 2djw h ASP 53 Ca -0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2djw h ASP 53 Cb 0.43 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2djw h ASP 53 CO 0.00 -0.43 -0.20 0.44 -2.88 0.00 0.00 179.24 176.17 2djw h ASP 54 N -0.84 -0.47 -0.04 2.28 5.19 -1.59 0.12 116.42 121.07 2djw h ASP 54 Ca -0.08 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 2djw h ASP 54 Cb 0.62 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.26 2djw h ASP 54 CO 0.13 -0.24 -0.10 1.62 -3.12 0.00 0.00 179.24 177.53 2djw h VAL 55 N -0.67 1.45 0.00 -1.35 3.04 -1.26 1.34 116.25 118.79 2djw h VAL 55 Ca -0.06 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2djw h VAL 55 Cb 0.49 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 2djw h VAL 55 CO 0.09 0.40 -0.36 0.58 -1.01 0.00 0.00 177.57 177.27 2djw h VAL 56 N -0.40 0.00 0.10 1.51 2.07 -0.93 -0.01 116.25 118.59 2djw h VAL 56 Ca -0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2djw h VAL 56 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2djw h VAL 56 CO 0.02 0.00 -0.09 0.74 0.02 0.00 0.00 177.57 178.26 2djw h THR 57 N -0.80 0.79 0.00 2.57 2.02 -1.01 0.22 112.91 116.70 2djw h THR 57 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2djw h THR 57 Cb 0.36 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2djw h THR 57 CO 0.00 0.00 -0.20 1.56 0.37 0.00 0.00 175.52 177.25 2djw h GLN 58 N -0.21 0.00 -0.44 6.66 4.20 -0.84 -3.27 115.11 121.21 2djw h GLN 58 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2djw h GLN 58 Cb 0.20 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 2djw h GLN 58 CO -0.02 0.00 -0.12 0.78 -0.67 0.00 0.00 178.83 178.80 2djw h GLY 59 N -0.72 0.30 0.00 3.46 0.00 0.20 -3.22 103.07 103.09 2djw h GLY 59 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 47.33 47.08 2djw h GLY 59 CO 0.00 -0.17 -2.35 1.39 0.00 0.00 0.00 176.54 175.41 2djw n ILE 60 N -5.33 1.41 0.45 2.60 5.41 -0.04 -4.48 119.36 119.39 2djw n ILE 60 Ca 0.03 -0.33 0.09 0.00 1.00 0.00 0.00 62.75 63.54 2djw n ILE 60 Cb 0.24 -1.88 0.38 0.00 -0.71 0.00 0.00 39.64 37.67 2djw n ILE 60 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2djw n LEU 61 N -4.17 0.25 -0.85 1.39 4.77 0.72 -1.85 117.00 117.26 2djw n LEU 61 Ca -0.48 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 2djw n LEU 61 Cb 0.84 -0.53 0.28 0.00 -2.33 0.00 0.00 43.42 41.68 2djw n LEU 61 CO 0.04 -0.37 0.73 -1.54 -1.33 0.00 0.00 177.39 174.91 2djw n SER 62 N -1.78 2.54 -4.86 -1.43 3.41 -1.21 -4.88 113.62 105.41 2djw n SER 62 Ca 0.03 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.43 2djw n SER 62 Cb 0.19 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.44 4.28 0.21 1.04 1.43 -0.77 -5.06 118.68 118.37 2djw s LEU 63 Ca 0.35 0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.13 2djw s LEU 63 Cb 0.19 -3.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 2djw s LEU 63 CO 0.28 0.06 0.76 -1.83 0.23 0.00 0.00 176.35 175.85 2djw s GLU 64 N -2.27 4.37 0.00 1.70 4.04 -1.26 -3.84 118.70 121.44 2djw s GLU 64 Ca 0.40 0.99 0.00 0.00 0.04 0.00 0.00 54.97 56.40 2djw s GLU 64 Cb -0.13 -2.99 0.00 0.00 0.02 0.00 0.00 34.13 31.03 2djw s GLU 64 CO 0.20 0.44 0.00 0.41 -1.84 0.00 0.00 175.26 174.47 2djw n GLY 65 N 0.98 0.93 3.58 -3.83 0.00 -1.26 -4.98 105.19 100.61 2djw n GLY 65 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.24 3.95 -0.10 1.61 -7.23 -1.25 0.83 120.40 115.98 2djw s VAL 66 Ca 0.00 0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 60.78 2djw s VAL 66 Cb 0.00 -4.75 -0.27 0.00 0.56 0.00 0.00 36.38 31.92 2djw s VAL 66 CO 0.00 -1.42 0.66 -0.33 -0.31 0.00 0.00 175.10 173.70 2djw h GLU 67 N 9.70 0.20 -3.97 4.82 5.08 -1.06 -3.48 114.58 125.87 2djw h GLU 67 Ca -0.26 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.56 2djw h GLU 67 Cb 1.06 0.13 -0.24 0.00 0.50 0.00 0.00 28.75 30.19 2djw h GLU 67 CO 1.20 1.16 -0.71 1.03 -1.00 0.00 0.00 179.01 180.69 2djw s ARG 68 N -2.41 0.23 0.12 2.33 1.81 -0.82 -5.01 118.95 115.20 2djw s ARG 68 Ca -0.19 -0.38 0.07 0.00 -1.72 0.00 0.00 55.73 53.51 2djw s ARG 68 Cb 0.02 0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 2djw s ARG 68 CO 0.76 -0.01 -0.16 0.99 -0.68 0.00 0.00 175.30 176.19 2djw s THR 69 N -0.85 1.46 -0.17 0.02 2.01 -1.26 -0.29 115.64 116.55 2djw s THR 69 Ca -0.09 -1.66 -0.07 0.00 0.31 0.00 0.00 61.69 60.18 2djw s THR 69 Cb -0.06 -1.53 0.07 0.00 0.01 0.00 0.00 72.50 71.00 2djw s THR 69 CO -0.00 -0.31 0.38 -0.70 -0.69 0.00 0.00 174.62 173.29 2djw s GLU 70 N -2.42 0.31 -0.22 4.92 2.56 0.09 -4.97 118.70 118.97 2djw s GLU 70 Ca 0.08 0.86 -0.07 0.00 0.00 0.00 0.00 54.97 55.84 2djw s GLU 70 Cb -0.07 0.11 -0.03 0.00 2.00 0.00 0.00 34.13 36.14 2djw s GLU 70 CO 0.04 -0.22 0.05 0.99 -0.56 0.00 0.00 175.26 175.57 2djw s THR 71 N 2.03 4.40 -0.63 -1.70 2.01 -1.26 0.19 115.64 120.68 2djw s THR 71 Ca -0.05 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 2djw s THR 71 Cb -0.11 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.55 2djw s THR 71 CO -0.12 0.39 0.56 -0.76 -0.69 0.00 0.00 174.62 174.01 2djw s LEU 72 N 1.10 6.26 -0.11 4.42 1.02 0.67 -4.97 118.68 127.08 2djw s LEU 72 Ca 0.04 -2.17 -0.26 0.00 0.02 0.00 0.00 54.13 51.75 2djw s LEU 72 Cb -0.14 -2.16 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 2djw s LEU 72 CO 0.03 -0.71 0.84 -0.22 0.02 0.00 0.00 176.35 176.31 2djw s LEU 73 N 0.98 4.25 -0.18 1.79 2.96 -1.26 -1.66 118.68 125.56 2djw s LEU 73 Ca 0.09 1.30 -0.24 0.00 -0.22 0.00 0.00 54.13 55.06 2djw s LEU 73 Cb -0.22 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 2djw s LEU 73 CO -0.02 -0.31 0.79 0.00 -1.32 0.00 0.00 176.35 175.49 2djw s ALA 74 N 1.60 3.54 -0.70 5.97 0.00 -0.88 -4.93 121.76 126.36 2djw s ALA 74 Ca 0.41 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.38 2djw s ALA 74 Cb -0.18 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2djw s ALA 74 CO 0.17 -0.66 0.73 1.97 0.00 0.00 0.00 175.76 177.97 2djw n PHE 75 N 5.28 0.02 -3.65 0.00 1.16 -1.26 -4.47 117.46 114.54 2djw n PHE 75 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 57.45 55.52 2djw n PHE 75 Cb 0.49 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.53 0.60 0.13 3.97 3.52 -1.26 -5.16 118.95 120.22 2djw s ARG 76 Ca 0.07 1.31 -0.15 0.00 -0.13 0.00 0.00 55.73 56.83 2djw s ARG 76 Cb 0.05 0.52 -0.07 0.00 -1.56 0.00 0.00 34.95 33.89 2djw s ARG 76 CO 0.07 -0.18 0.55 0.00 -0.81 0.00 0.00 175.30 174.93 2djw s ALA 77 N 2.34 3.58 -0.54 6.12 0.00 -1.26 -5.06 121.76 126.94 2djw s ALA 77 Ca -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2djw s ALA 77 Cb -0.09 -2.54 0.14 0.00 0.00 0.00 0.00 23.12 20.63 2djw s ALA 77 CO -0.19 0.45 0.30 0.71 0.00 0.00 0.00 175.76 177.03 2djw s TYR 78 N -1.40 3.28 0.86 0.00 2.02 -1.26 -5.11 117.35 115.74 2djw s TYR 78 Ca 0.36 -3.03 -0.14 0.00 -0.37 0.00 0.00 57.07 53.88 2djw s TYR 78 Cb -0.16 -2.94 0.21 0.00 -0.40 0.00 0.00 41.96 38.67 2djw s TYR 78 CO 0.19 -0.78 0.92 -0.35 -1.57 0.00 0.00 175.55 173.96 2djw n PRO 79 N 3.28 -1.92 -0.74 -1.71 -0.04 -1.26 -5.34 135.00 127.27 2djw n PRO 79 Ca 0.06 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2djw n PRO 79 Cb 0.34 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2djw n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33