#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 5.21 0.12 1.12 1.01 0.15 -4.85 121.20 123.96 2djw s ILE 2 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 60.65 61.36 2djw s ILE 2 Cb 0.00 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 2djw s ILE 2 CO 0.00 0.32 0.49 -0.89 0.00 0.00 0.00 174.94 174.86 2djw s THR 3 N 0.76 4.94 -0.01 2.92 2.01 -1.26 -0.15 115.64 124.84 2djw s THR 3 Ca 0.23 0.69 -0.08 0.00 0.31 0.00 0.00 61.69 62.84 2djw s THR 3 Cb -0.15 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2djw s THR 3 CO 0.09 0.26 0.16 0.00 -0.69 0.00 0.00 174.62 174.43 2djw s ALA 4 N -1.44 -0.38 -0.28 7.40 0.00 -1.15 -0.27 121.76 125.63 2djw s ALA 4 Ca 0.36 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 2djw s ALA 4 Cb -0.15 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2djw s ALA 4 CO 0.19 -0.19 0.05 -0.06 0.00 0.00 0.00 175.76 175.75 2djw s PHE 5 N -1.06 3.13 -0.26 0.00 0.08 -0.18 -0.95 117.98 118.73 2djw s PHE 5 Ca -0.11 -1.08 -0.16 0.00 0.12 0.00 0.00 56.93 55.70 2djw s PHE 5 Cb -0.06 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2djw s PHE 5 CO 0.01 -0.60 0.42 0.08 -0.10 0.00 0.00 175.22 175.03 2djw s VAL 6 N 1.47 5.15 -0.30 -0.44 1.01 0.38 -0.97 120.40 126.70 2djw s VAL 6 Ca 0.02 0.67 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 2djw s VAL 6 Cb -0.17 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2djw s VAL 6 CO 0.01 0.14 0.58 -0.76 0.00 0.00 0.00 175.10 175.07 2djw s LEU 7 N 2.08 4.14 -0.17 3.92 1.02 0.15 -0.44 118.68 129.38 2djw s LEU 7 Ca 0.17 0.41 0.01 0.00 0.02 0.00 0.00 54.13 54.73 2djw s LEU 7 Cb -0.16 -2.74 0.01 0.00 0.02 0.00 0.00 46.19 43.32 2djw s LEU 7 CO 0.10 -0.42 -0.17 -0.63 0.02 0.00 0.00 176.35 175.24 2djw s ILE 8 N 2.49 2.35 -0.44 -0.59 1.09 0.34 -0.02 121.20 126.42 2djw s ILE 8 Ca 0.23 -0.86 -0.18 0.00 -1.10 0.00 0.00 60.65 58.75 2djw s ILE 8 Cb -0.15 -1.99 0.03 0.00 -1.06 0.00 0.00 42.46 39.29 2djw s ILE 8 CO 0.11 0.52 0.47 -0.60 -0.10 0.00 0.00 174.94 175.34 2djw s ARG 9 N 1.14 3.10 0.55 2.79 3.52 0.34 -1.68 118.95 128.70 2djw s ARG 9 Ca 0.01 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 2djw s ARG 9 Cb -0.14 -4.00 0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2djw s ARG 9 CO -0.07 -0.93 0.78 -1.25 -0.81 0.00 0.00 175.30 173.02 2djw s PRO 10 N 2.20 2.60 0.39 5.12 0.04 -1.26 0.08 135.00 144.18 2djw s PRO 10 Ca 0.12 -0.69 -0.26 0.00 0.04 0.00 0.00 61.00 60.21 2djw s PRO 10 Cb -0.18 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 2djw s PRO 10 CO 0.13 -0.68 1.24 0.50 0.04 0.00 0.00 177.00 178.23 2djw s ARG 11 N -4.77 4.08 0.29 4.56 3.52 -0.17 -4.74 118.95 121.71 2djw s ARG 11 Ca 0.56 2.02 0.03 0.00 -0.13 0.00 0.00 55.73 58.21 2djw s ARG 11 Cb -0.10 -2.78 0.69 0.00 -1.56 0.00 0.00 34.95 31.19 2djw s ARG 11 CO 0.39 -0.36 1.71 0.78 -0.81 0.00 0.00 175.30 177.01 2djw h GLY 12 N 2.80 1.50 2.00 8.12 0.00 -1.98 0.30 103.07 115.81 2djw h GLY 12 Ca -0.49 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 2djw h GLY 12 CO 0.63 -0.22 -0.60 3.45 0.00 0.00 0.00 176.54 179.79 2djw h ASN 13 N 0.44 0.00 1.09 0.19 7.08 -1.99 -3.29 115.58 119.09 2djw h ASN 13 Ca 0.54 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.76 2djw h ASN 13 Cb 0.98 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 2djw h ASN 13 CO -0.50 0.60 0.00 0.54 -2.08 0.00 0.00 177.43 176.00 2djw n ARG 14 N -3.43 0.18 -0.19 4.14 5.12 0.07 -4.28 116.66 118.27 2djw n ARG 14 Ca 0.00 0.25 -0.09 0.00 -1.93 0.00 0.00 57.85 56.09 2djw n ARG 14 Cb 0.70 -1.76 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.00 0.09 -0.17 1.55 2.07 -1.58 0.20 116.25 118.41 2djw h VAL 15 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2djw h VAL 15 Cb 0.54 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2djw h VAL 15 CO 0.00 0.00 -0.34 -0.61 0.02 0.00 0.00 177.57 176.64 2djw h GLN 16 N -0.25 0.35 0.40 1.57 4.15 -1.87 0.14 115.11 119.59 2djw h GLN 16 Ca 0.17 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2djw h GLN 16 Cb 0.57 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2djw h GLN 16 CO -0.66 0.65 -0.19 0.00 -1.93 0.00 0.00 178.83 176.69 2djw h ALA 17 N 1.35 -0.91 -0.67 3.38 0.00 -1.61 -3.01 119.26 117.79 2djw h ALA 17 Ca 0.04 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2djw h ALA 17 Cb 0.75 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2djw h ALA 17 CO 0.06 -0.87 0.26 -0.07 0.00 0.00 0.00 179.25 178.63 2djw h LEU 18 N -0.65 0.25 -1.61 0.00 3.38 -0.63 -0.44 115.31 115.62 2djw h LEU 18 Ca -0.05 0.09 0.21 0.00 0.09 0.00 0.00 57.88 58.21 2djw h LEU 18 Cb 0.41 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2djw h LEU 18 CO 0.09 0.13 0.59 1.23 0.09 0.00 0.00 178.44 180.57 2djw h GLY 19 N 0.43 0.69 1.46 0.83 0.00 -0.81 0.53 103.07 106.20 2djw h GLY 19 Ca 0.35 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 2djw h GLY 19 CO -0.34 -0.00 -1.33 0.83 0.00 0.00 0.00 176.54 175.70 2djw h GLU 20 N 0.32 0.00 0.00 4.80 5.08 -0.98 -3.20 114.58 120.61 2djw h GLU 20 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2djw h GLU 20 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2djw h GLU 20 CO -0.14 0.68 -0.17 0.00 -1.00 0.00 0.00 179.01 178.39 2djw h ALA 21 N 1.06 0.90 0.00 3.43 0.00 -0.17 -3.25 119.26 121.23 2djw h ALA 21 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2djw h ALA 21 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2djw h ALA 21 CO 0.10 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.15 2djw h ILE 22 N 0.00 1.67 -0.72 0.00 1.08 -0.07 -3.29 117.51 116.18 2djw h ILE 22 Ca 0.00 -1.98 0.21 0.00 -0.39 0.00 0.00 64.86 62.70 2djw h ILE 22 Cb 0.81 3.01 -0.03 0.00 -3.07 0.00 0.00 36.82 37.54 2djw h ILE 22 CO 0.00 0.51 0.54 0.00 -0.69 0.00 0.00 178.15 178.51 2djw h ALA 23 N 0.16 2.65 -0.08 1.87 0.00 -1.64 -0.94 119.26 121.29 2djw h ALA 23 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2djw h ALA 23 Cb 0.85 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2djw h ALA 23 CO 0.00 -0.91 0.00 0.39 0.00 0.00 0.00 179.25 178.74 2djw n GLU 24 N -4.24 1.56 -3.84 0.00 -0.58 -1.23 -4.77 120.64 107.54 2djw n GLU 24 Ca 0.14 -0.45 -0.34 0.00 -0.42 0.00 0.00 57.16 56.10 2djw n GLU 24 Cb 0.81 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 2djw n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2djw s LEU 25 N -0.39 4.36 0.61 -4.62 1.43 -0.36 -5.00 118.68 114.71 2djw s LEU 25 Ca 0.08 0.43 0.41 0.00 -1.03 0.00 0.00 54.13 54.01 2djw s LEU 25 Cb 0.06 -2.69 2.09 0.00 0.03 0.00 0.00 46.19 45.68 2djw s LEU 25 CO 0.02 0.24 2.23 -0.65 0.23 0.00 0.00 176.35 178.43 2djw h PRO 26 N 3.79 0.00 -0.01 1.29 0.11 -1.89 -2.84 132.00 132.45 2djw h PRO 26 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2djw h PRO 26 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2djw h PRO 26 CO 0.68 0.00 -0.29 1.04 -0.21 0.00 0.00 178.00 179.22 2djw n GLN 27 N -3.02 1.77 -2.81 1.05 3.00 -1.26 -4.93 117.38 111.18 2djw n GLN 27 Ca -0.02 -0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 55.78 2djw n GLN 27 Cb 0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 30.24 29.11 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 -1.73 4.28 0.27 5.09 1.01 -1.07 -0.61 120.40 127.63 2djw s VAL 28 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2djw s VAL 28 Cb 0.12 -4.65 0.08 0.00 0.00 0.00 0.00 36.38 31.93 2djw s VAL 28 CO 0.36 -1.35 1.73 0.00 0.00 0.00 0.00 175.10 175.85 2djw h ALA 29 N 9.50 1.11 -0.78 5.51 0.00 -1.40 -3.45 119.26 129.75 2djw h ALA 29 Ca -0.27 -0.32 0.20 0.00 0.00 0.00 0.00 54.91 54.52 2djw h ALA 29 Cb 1.07 -0.14 -0.25 0.00 0.00 0.00 0.00 17.79 18.47 2djw h ALA 29 CO 1.15 0.55 0.31 -1.83 0.00 0.00 0.00 179.25 179.43 2djw s GLU 30 N -4.66 0.22 -0.14 0.00 -1.05 -1.17 -5.04 118.70 106.87 2djw s GLU 30 Ca -0.08 0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 55.27 2djw s GLU 30 Cb 0.14 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2djw s GLU 30 CO 0.80 -0.08 -0.02 0.54 0.95 0.00 0.00 175.26 177.45 2djw s VAL 31 N 2.34 4.06 0.30 1.83 0.11 -1.26 -1.93 120.40 125.85 2djw s VAL 31 Ca -0.02 -0.31 0.11 0.00 -2.93 0.00 0.00 61.98 58.83 2djw s VAL 31 Cb -0.05 -2.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.99 2djw s VAL 31 CO -0.17 0.52 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.65 2djw s TYR 32 N 0.04 2.31 -0.21 1.54 2.02 -0.12 -4.98 117.35 117.97 2djw s TYR 32 Ca 0.01 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 2djw s TYR 32 Cb -0.13 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2djw s TYR 32 CO 0.02 0.66 0.13 0.45 -1.57 0.00 0.00 175.55 175.24 2djw s SER 33 N -3.54 6.08 0.21 2.29 0.15 -1.26 -1.32 113.70 116.31 2djw s SER 33 Ca 0.31 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.17 2djw s SER 33 Cb -0.02 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 2djw s SER 33 CO 0.15 0.15 -0.04 0.68 1.20 0.00 0.00 173.24 175.38 2djw s VAL 34 N 0.56 1.16 0.88 4.45 -7.23 0.27 -4.97 120.40 115.51 2djw s VAL 34 Ca 0.07 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.07 2djw s VAL 34 Cb -0.12 -2.20 0.12 0.00 0.56 0.00 0.00 36.38 34.74 2djw s VAL 34 CO 0.00 -0.45 1.10 0.42 -0.31 0.00 0.00 175.10 175.85 2djw s THR 35 N -3.34 2.66 0.00 5.32 -4.23 -1.26 -4.56 115.64 110.23 2djw s THR 35 Ca 0.25 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2djw s THR 35 Cb 0.04 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2djw s THR 35 CO 0.07 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2djw n GLY 36 N -1.50 -1.06 0.00 3.99 0.00 -1.26 -4.61 105.19 100.75 2djw n GLY 36 Ca 0.07 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 0.39 -4.50 1.61 -0.04 -1.26 -4.62 135.00 126.58 2djw n PRO 37 Ca 0.00 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 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 -2.54 1.20 -0.03 0.54 2.02 -1.26 -4.90 117.35 112.38 2djw s TYR 38 Ca 0.25 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2djw s TYR 38 Cb 0.17 -0.86 -0.27 0.00 -0.40 0.00 0.00 41.96 40.59 2djw s TYR 38 CO 0.38 -0.16 0.73 -0.44 -1.57 0.00 0.00 175.55 174.49 2djw h ASP 39 N 6.56 0.39 -4.26 2.29 3.32 -1.73 -3.43 116.42 119.56 2djw h ASP 39 Ca -0.33 -0.62 -0.69 0.00 0.02 0.00 0.00 57.03 55.41 2djw h ASP 39 Cb 1.17 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.34 2djw h ASP 39 CO 0.48 1.53 -0.84 -0.76 -1.72 0.00 0.00 179.24 177.93 2djw s LEU 40 N -6.95 2.36 -0.13 1.55 1.43 -0.68 -0.57 118.68 115.70 2djw s LEU 40 Ca -0.12 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2djw s LEU 40 Cb 0.07 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2djw s LEU 40 CO 0.84 0.30 -0.22 -0.69 0.23 0.00 0.00 176.35 176.80 2djw s VAL 41 N -0.75 2.08 -0.36 -1.59 1.01 -0.44 -0.50 120.40 119.85 2djw s VAL 41 Ca 0.12 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 2djw s VAL 41 Cb -0.10 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.49 2djw s VAL 41 CO 0.01 0.55 0.17 0.00 0.00 0.00 0.00 175.10 175.84 2djw s ALA 42 N 0.66 3.21 -0.60 5.51 0.00 0.42 -0.94 121.76 130.02 2djw s ALA 42 Ca -0.11 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 49.88 2djw s ALA 42 Cb -0.16 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.51 2djw s ALA 42 CO 0.02 -1.32 1.18 -1.17 0.00 0.00 0.00 175.76 174.46 2djw s LEU 43 N 1.51 3.48 0.12 0.00 2.96 -0.81 -0.47 118.68 125.47 2djw s LEU 43 Ca 0.01 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2djw s LEU 43 Cb -0.19 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 2djw s LEU 43 CO 0.05 -1.51 0.29 -0.69 -1.32 0.00 0.00 176.35 173.18 2djw s VAL 44 N 4.96 5.29 -0.11 1.68 1.01 -0.13 -1.00 120.40 132.11 2djw s VAL 44 Ca 0.40 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2djw s VAL 44 Cb -0.08 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2djw s VAL 44 CO 0.23 0.03 -0.14 -0.13 0.00 0.00 0.00 175.10 175.10 2djw s ARG 45 N -2.77 2.06 0.10 2.72 1.81 0.22 -2.92 118.95 120.17 2djw s ARG 45 Ca 0.37 -0.49 0.10 0.00 -1.72 0.00 0.00 55.73 53.99 2djw s ARG 45 Cb -0.12 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 2djw s ARG 45 CO 0.27 -0.11 -0.25 -0.51 -0.68 0.00 0.00 175.30 174.02 2djw s LEU 46 N 1.14 2.34 -0.02 2.53 1.43 0.78 -4.75 118.68 122.13 2djw s LEU 46 Ca -0.04 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 2djw s LEU 46 Cb -0.14 -1.29 -0.33 0.00 0.03 0.00 0.00 46.19 44.46 2djw s LEU 46 CO -0.03 0.20 0.90 0.50 0.23 0.00 0.00 176.35 178.14 2djw h LYS 47 N 4.11 0.41 0.00 1.70 1.63 -1.95 0.45 116.57 122.92 2djw h LYS 47 Ca -0.50 -0.71 -0.12 0.00 -0.85 0.00 0.00 60.65 58.47 2djw h LYS 47 Cb 1.16 0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 33.02 2djw h LYS 47 CO 0.41 1.34 -0.09 -0.40 -3.45 0.00 0.00 179.45 177.26 2djw n ASP 48 N -3.89 -0.37 0.01 4.20 5.75 -1.26 -4.31 116.55 116.68 2djw n ASP 48 Ca -0.17 -1.68 -0.18 0.00 -0.01 0.00 0.00 54.79 52.74 2djw n ASP 48 Cb 0.98 0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 41.71 2djw n ASP 48 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2djw h VAL 49 N 1.35 1.32 0.00 2.12 2.07 -1.98 -3.14 116.25 117.99 2djw h VAL 49 Ca -0.09 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.34 2djw h VAL 49 Cb 0.40 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2djw h VAL 49 CO 0.12 0.64 0.16 -0.33 0.02 0.00 0.00 177.57 178.18 2djw h GLU 50 N 0.27 0.00 0.00 1.57 3.07 -2.03 -0.35 114.58 117.11 2djw h GLU 50 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2djw h GLU 50 Cb 1.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 2djw h GLU 50 CO 0.16 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.86 2djw n GLU 51 N -2.76 0.83 0.09 2.33 2.13 -1.19 -2.35 120.64 119.73 2djw n GLU 51 Ca -0.02 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.74 2djw n GLU 51 Cb 0.21 -1.49 0.09 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 0.26 -0.76 4.31 3.38 -1.26 -2.81 115.31 118.42 2djw h LEU 52 Ca 0.00 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2djw h LEU 52 Cb 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 2djw h LEU 52 CO 0.00 0.85 0.42 -0.78 0.09 0.00 0.00 178.44 179.02 2djw h ASP 53 N 0.15 0.61 -0.03 -0.43 3.58 -1.69 0.35 116.42 118.97 2djw h ASP 53 Ca -0.01 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2djw h ASP 53 Cb 1.20 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2djw h ASP 53 CO 0.10 0.36 0.01 0.44 -2.88 0.00 0.00 179.24 177.28 2djw h ASP 54 N 0.73 0.03 1.12 2.28 3.32 -1.68 0.90 116.42 123.12 2djw h ASP 54 Ca 0.36 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2djw h ASP 54 Cb 0.30 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2djw h ASP 54 CO -0.23 0.11 -0.92 1.62 -1.72 0.00 0.00 179.24 178.10 2djw h VAL 55 N -0.05 0.48 0.00 -1.35 3.04 -1.28 -1.68 116.25 115.41 2djw h VAL 55 Ca 0.01 -1.80 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 2djw h VAL 55 Cb 0.09 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2djw h VAL 55 CO -0.00 0.27 0.00 0.52 -1.01 0.00 0.00 177.57 177.35 2djw n VAL 56 N -2.98 0.00 0.07 1.51 0.31 0.12 -1.77 118.33 115.60 2djw n VAL 56 Ca -0.03 0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 64.56 2djw n VAL 56 Cb 0.73 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.00 0.97 -0.00 2.52 2.02 -1.51 0.02 112.91 116.93 2djw h THR 57 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2djw h THR 57 Cb 0.00 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2djw h THR 57 CO 0.00 0.05 -0.52 0.00 0.37 0.00 0.00 175.52 175.42 2djw n GLN 58 N -5.10 0.22 0.00 6.66 3.00 0.27 -4.05 117.38 118.38 2djw n GLN 58 Ca -0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 2djw n GLN 58 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 2djw n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2djw n GLY 59 N 1.46 -0.09 0.27 1.08 0.00 -0.63 -4.62 105.19 102.66 2djw n GLY 59 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.74 0.00 -0.61 2.04 -0.62 -1.76 117.51 117.30 2djw h ILE 60 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2djw h ILE 60 Cb 0.00 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2djw h ILE 60 CO 0.00 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.42 2djw n LEU 61 N -4.96 0.00 -0.50 1.44 4.77 -0.07 -2.41 117.00 115.27 2djw n LEU 61 Ca 0.12 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2djw n LEU 61 Cb 0.34 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.58 2djw n LEU 61 CO 0.21 0.00 0.48 -1.54 -1.33 0.00 0.00 177.39 175.21 2djw n SER 62 N -0.86 1.88 -4.84 -1.43 3.41 -0.66 -4.94 113.62 106.17 2djw n SER 62 Ca 0.17 -1.43 -0.35 0.00 -0.26 0.00 0.00 58.87 57.00 2djw n SER 62 Cb 0.08 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.38 4.34 0.04 1.04 1.43 -1.01 -5.03 118.68 117.10 2djw s LEU 63 Ca 0.23 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.10 2djw s LEU 63 Cb 0.19 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 2djw s LEU 63 CO 0.50 0.10 1.52 -0.70 0.23 0.00 0.00 176.35 178.00 2djw s GLU 64 N -1.96 4.24 0.00 1.70 2.56 -1.26 -3.62 118.70 120.37 2djw s GLU 64 Ca 0.38 2.14 0.00 0.00 0.00 0.00 0.00 54.97 57.49 2djw s GLU 64 Cb -0.15 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.41 2djw s GLU 64 CO 0.19 -0.65 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 2djw n GLY 65 N 3.80 0.59 3.60 -1.50 0.00 -1.26 -4.96 105.19 105.47 2djw n GLY 65 Ca 0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 4.96 -0.13 1.61 -7.23 -1.24 -1.00 120.40 115.38 2djw s VAL 66 Ca 0.00 0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 60.86 2djw s VAL 66 Cb 0.00 -3.97 -0.25 0.00 0.56 0.00 0.00 36.38 32.72 2djw s VAL 66 CO 0.00 -0.10 0.46 -0.33 -0.31 0.00 0.00 175.10 174.83 2djw h GLU 67 N 8.15 0.17 -3.64 4.82 5.08 -0.65 -3.49 114.58 125.04 2djw h GLU 67 Ca -0.27 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 57.64 2djw h GLU 67 Cb 1.12 0.11 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2djw h GLU 67 CO 0.79 1.14 -0.54 1.03 -1.00 0.00 0.00 179.01 180.43 2djw s ARG 68 N -2.45 0.45 -0.02 2.33 1.81 -0.82 -4.99 118.95 115.26 2djw s ARG 68 Ca -0.22 -0.47 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 2djw s ARG 68 Cb 0.05 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.73 2djw s ARG 68 CO 0.72 -0.10 -0.05 -0.08 -0.68 0.00 0.00 175.30 175.11 2djw s THR 69 N -1.45 0.48 -0.10 0.02 -1.32 -1.26 -0.51 115.64 111.50 2djw s THR 69 Ca -0.15 -0.20 -0.02 0.00 -1.21 0.00 0.00 61.69 60.11 2djw s THR 69 Cb -0.08 -0.44 0.04 0.00 -1.51 0.00 0.00 72.50 70.51 2djw s THR 69 CO 0.01 0.16 0.01 -0.70 -2.21 0.00 0.00 174.62 171.89 2djw s GLU 70 N 0.19 0.60 -0.31 7.08 2.12 0.97 -4.97 118.70 124.37 2djw s GLU 70 Ca -0.02 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.18 2djw s GLU 70 Cb -0.06 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 2djw s GLU 70 CO -0.00 -0.39 0.20 0.99 -0.54 0.00 0.00 175.26 175.52 2djw s THR 71 N 1.95 5.14 -0.59 -1.70 2.01 -1.26 0.33 115.64 121.52 2djw s THR 71 Ca 0.04 -0.14 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 2djw s THR 71 Cb -0.13 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 68.91 2djw s THR 71 CO -0.06 0.09 0.66 -0.76 -0.69 0.00 0.00 174.62 173.86 2djw s LEU 72 N 1.71 5.59 -0.19 4.42 1.02 -0.14 -4.97 118.68 126.12 2djw s LEU 72 Ca 0.06 -1.54 -0.20 0.00 0.02 0.00 0.00 54.13 52.48 2djw s LEU 72 Cb -0.17 -2.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.73 2djw s LEU 72 CO 0.10 -1.05 0.57 -0.22 0.02 0.00 0.00 176.35 175.76 2djw s LEU 73 N 2.41 4.16 -0.26 1.79 0.20 -1.26 -1.01 118.68 124.71 2djw s LEU 73 Ca 0.10 0.76 -0.29 0.00 0.69 0.00 0.00 54.13 55.39 2djw s LEU 73 Cb -0.25 -2.79 -0.00 0.00 -0.43 0.00 0.00 46.19 42.71 2djw s LEU 73 CO 0.05 -0.21 1.26 0.00 -0.29 0.00 0.00 176.35 177.16 2djw s ALA 74 N 1.67 3.48 -0.28 5.97 0.00 0.63 -4.90 121.76 128.32 2djw s ALA 74 Ca 0.26 0.20 0.14 0.00 0.00 0.00 0.00 51.96 52.56 2djw s ALA 74 Cb -0.16 -3.71 -0.19 0.00 0.00 0.00 0.00 23.12 19.06 2djw s ALA 74 CO 0.10 -1.54 0.42 1.97 0.00 0.00 0.00 175.76 176.72 2djw n PHE 75 N 7.20 0.00 -3.86 0.00 1.16 -1.26 -4.27 117.46 116.43 2djw n PHE 75 Ca 0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.60 2djw n PHE 75 Cb 0.46 -0.19 -0.14 0.00 -1.61 0.00 0.00 39.48 38.00 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 -2.71 0.00 0.22 3.97 3.52 -1.26 -5.15 118.95 117.55 2djw s ARG 76 Ca -0.01 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2djw s ARG 76 Cb 0.10 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 2djw s ARG 76 CO 0.58 -0.02 0.40 0.00 -0.81 0.00 0.00 175.30 175.45 2djw s ALA 77 N 0.16 3.84 -0.31 6.12 0.00 -1.26 -5.09 121.76 125.22 2djw s ALA 77 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2djw s ALA 77 Cb -0.02 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.25 2djw s ALA 77 CO -0.00 0.35 0.02 0.71 0.00 0.00 0.00 175.76 176.83 2djw s TYR 78 N -1.94 3.11 -2.00 0.00 2.02 -1.26 -5.30 117.35 111.98 2djw s TYR 78 Ca 0.37 -2.49 0.03 0.00 -0.37 0.00 0.00 57.07 54.61 2djw s TYR 78 Cb -0.10 -2.36 0.16 0.00 -0.40 0.00 0.00 41.96 39.26 2djw s TYR 78 CO 0.30 -0.90 0.65 -0.35 -1.57 0.00 0.00 175.55 173.68