#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj s ARG 3 N 0.00 2.13 -0.04 -0.52 1.81 -0.39 -1.30 118.95 120.63 2hgj s ARG 3 Ca 0.00 -2.02 0.03 0.00 -1.72 0.00 0.00 55.73 52.02 2hgj s ARG 3 Cb 0.00 -3.61 -0.03 0.00 -0.45 0.00 0.00 34.95 30.86 2hgj s ARG 3 CO 0.00 -1.10 -0.10 -1.17 -0.68 0.00 0.00 175.30 172.25 2hgj s LEU 4 N 0.81 2.98 0.32 2.53 0.20 -0.16 -0.80 118.68 124.55 2hgj s LEU 4 Ca 0.11 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.84 2hgj s LEU 4 Cb -0.22 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 2hgj s LEU 4 CO -0.04 0.34 0.18 -1.59 -0.29 0.00 0.00 176.35 174.95 2hgj s LYS 5 N -0.94 1.65 0.05 1.98 0.00 -0.45 -0.75 119.74 121.27 2hgj s LYS 5 Ca 0.13 -1.95 -0.18 0.00 0.00 0.00 0.00 55.97 53.97 2hgj s LYS 5 Cb -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 37.83 37.73 2hgj s LYS 5 CO 0.02 -0.50 0.40 0.08 0.00 0.00 0.00 175.35 175.36 2hgj s VAL 6 N -3.56 0.06 -0.31 1.79 1.01 -0.22 -0.81 120.40 118.35 2hgj s VAL 6 Ca 0.36 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2hgj s VAL 6 Cb 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2hgj s VAL 6 CO 0.19 -0.26 0.20 -0.75 0.00 0.00 0.00 175.10 174.48 2hgj s LYS 7 N -2.52 3.60 -0.16 2.72 2.47 -0.27 -0.71 119.74 124.88 2hgj s LYS 7 Ca -0.05 -0.56 -0.31 0.00 -1.56 0.00 0.00 55.97 53.49 2hgj s LYS 7 Cb -0.01 -3.69 -0.08 0.00 -1.46 0.00 0.00 37.83 32.59 2hgj s LYS 7 CO -0.03 -0.35 2.11 -0.11 0.16 0.00 0.00 175.35 177.13 2hgj n LEU 8 N 5.06 3.30 0.00 5.43 -0.00 0.16 -1.08 117.00 129.87 2hgj n LEU 8 Ca -0.13 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2hgj n LEU 8 Cb 0.50 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 2hgj n LEU 8 CO 0.35 -0.40 0.00 1.33 -0.00 0.00 0.00 177.39 178.67 2hgj n VAL 9 N 6.73 0.00 -3.59 1.96 0.24 -0.13 -3.93 118.33 119.62 2hgj n VAL 9 Ca 0.28 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.52 2hgj n VAL 9 Cb 0.37 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 2hgj n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2hgj s LYS 10 N 2.11 0.97 0.00 7.34 2.20 -1.20 -4.72 119.74 126.45 2hgj s LYS 10 Ca 0.00 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2hgj s LYS 10 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 2hgj s LYS 10 CO 0.00 -0.43 0.00 0.45 -0.36 0.00 0.00 175.35 175.01 2hgj n SER 11 N -0.33 0.00 -0.26 1.43 2.88 -1.26 -4.57 113.62 111.52 2hgj n SER 11 Ca -0.08 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2hgj n SER 11 Cb 0.62 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.50 2hgj n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hgj n PRO 12 N 0.00 0.91 0.00 -1.46 -0.04 -1.26 -4.44 135.00 128.71 2hgj n PRO 12 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2hgj n PRO 12 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2hgj n PRO 12 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2hgj n ILE 13 N -0.59 0.00 -2.19 0.52 3.06 -1.26 -4.64 119.36 114.26 2hgj n ILE 13 Ca 0.13 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.99 2hgj n ILE 13 Cb 0.34 -0.35 -0.03 0.00 0.54 0.00 0.00 39.64 40.14 2hgj n ILE 13 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2hgj s GLY 14 N 0.00 0.46 -0.07 4.50 0.00 -1.26 -4.95 107.32 105.99 2hgj s GLY 14 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.74 2hgj s GLY 14 CO 0.00 3.17 0.54 -2.52 0.00 0.00 0.00 173.10 174.30 2hgj s TYR 15 N 7.88 -0.51 -0.06 1.90 1.13 -1.26 -5.01 117.35 121.43 2hgj s TYR 15 Ca 0.60 0.95 -0.30 0.00 -1.41 0.00 0.00 57.07 56.91 2hgj s TYR 15 Cb -0.12 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 2hgj s TYR 15 CO 0.21 -0.48 1.40 -1.25 -2.51 0.00 0.00 175.55 172.92 2hgj s PRO 16 N -0.92 4.26 0.00 -3.49 0.04 -1.26 -4.91 135.00 128.71 2hgj s PRO 16 Ca -0.10 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2hgj s PRO 16 Cb -0.02 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2hgj s PRO 16 CO 0.06 -0.65 0.14 1.17 0.04 0.00 0.00 177.00 177.76 2hgj n LYS 17 N 6.01 0.00 -0.20 4.56 0.00 -1.26 0.38 118.16 127.65 2hgj n LYS 17 Ca 0.14 0.14 0.20 0.00 0.00 0.00 0.00 58.31 58.79 2hgj n LYS 17 Cb 0.44 -0.43 0.37 0.00 0.00 0.00 0.00 35.03 35.40 2hgj n LYS 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2hgj n ASP 18 N -0.38 0.21 -0.07 3.14 5.68 -1.26 0.38 116.55 124.25 2hgj n ASP 18 Ca 0.00 1.05 -0.12 0.00 -0.50 0.00 0.00 54.79 55.23 2hgj n ASP 18 Cb 0.00 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.42 2hgj n ASP 18 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2hgj h GLN 19 N 0.00 0.39 -0.97 0.11 5.75 -0.48 -0.48 115.11 119.44 2hgj h GLN 19 Ca 0.53 -0.14 0.23 0.00 -0.15 0.00 0.00 58.65 59.13 2hgj h GLN 19 Cb 1.41 -0.03 -0.12 0.00 1.07 0.00 0.00 27.48 29.80 2hgj h GLN 19 CO -0.49 0.61 0.54 0.87 -2.65 0.00 0.00 178.83 177.71 2hgj h LYS 20 N 0.14 0.54 0.44 1.69 6.56 0.91 0.22 116.57 127.07 2hgj h LYS 20 Ca 0.06 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2hgj h LYS 20 Cb 0.44 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 2hgj h LYS 20 CO 0.02 0.35 -0.42 0.00 -2.06 0.00 0.00 179.45 177.34 2hgj h ALA 21 N 1.71 -1.10 -0.84 3.86 0.00 0.26 -0.62 119.26 122.52 2hgj h ALA 21 Ca 0.61 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.57 2hgj h ALA 21 Cb 1.14 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 19.43 2hgj h ALA 21 CO -0.48 -1.12 0.19 0.00 0.00 0.00 0.00 179.25 177.85 2hgj h ALA 22 N -1.08 1.16 -0.62 0.00 0.00 0.22 0.39 119.26 119.32 2hgj h ALA 22 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2hgj h ALA 22 Cb 0.73 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2hgj h ALA 22 CO -0.04 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.05 2hgj n LEU 23 N -5.23 0.00 -0.14 0.00 4.32 -0.07 -0.97 117.00 114.91 2hgj n LEU 23 Ca 0.19 0.90 0.25 0.00 -0.02 0.00 0.00 56.01 57.33 2hgj n LEU 23 Cb 0.62 -0.40 0.69 0.00 -1.62 0.00 0.00 43.42 42.71 2hgj n LEU 23 CO 0.07 -0.40 1.24 0.11 -1.22 0.00 0.00 177.39 177.19 2hgj h LYS 24 N 0.00 0.05 0.31 3.23 1.57 -0.44 0.26 116.57 121.55 2hgj h LYS 24 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgj h LYS 24 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2hgj h LYS 24 CO 0.00 0.04 -0.48 0.00 -0.57 0.00 0.00 179.45 178.44 2hgj h ALA 25 N 1.61 -0.98 -0.89 3.86 0.00 0.60 0.13 119.26 123.60 2hgj h ALA 25 Ca 0.38 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2hgj h ALA 25 Cb 1.44 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.91 2hgj h ALA 25 CO -0.03 -1.10 0.57 -0.07 0.00 0.00 0.00 179.25 178.62 2hgj h LEU 26 N -0.84 0.65 0.00 0.00 -0.00 0.12 -3.47 115.31 111.78 2hgj h LEU 26 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2hgj h LEU 26 Cb 0.79 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2hgj h LEU 26 CO -0.16 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 179.22 2hgj n GLY 27 N -1.43 1.11 1.08 0.83 0.00 0.46 -5.00 105.19 102.23 2hgj n GLY 27 Ca 0.17 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2hgj n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 28 N 0.00 -0.77 0.00 0.99 4.77 -1.26 -3.33 117.00 117.40 2hgj n LEU 28 Ca 0.00 1.80 0.00 0.00 -0.03 0.00 0.00 56.01 57.78 2hgj n LEU 28 Cb 0.00 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 2hgj n LEU 28 CO 0.00 -1.66 0.00 0.54 -1.33 0.00 0.00 177.39 174.94 2hgj n ARG 29 N -3.77 0.00 -0.52 3.23 5.12 -1.26 -4.89 116.66 114.57 2hgj n ARG 29 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2hgj n ARG 29 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2hgj n ARG 29 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hgj n ARG 30 N 0.00 -1.27 0.00 5.56 3.00 -1.26 -3.91 116.66 118.78 2hgj n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgj n ARG 30 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 32.46 29.46 2hgj n ARG 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2hgj n LEU 31 N -0.52 0.00 -4.57 0.55 0.00 -1.26 -4.49 117.00 106.72 2hgj n LEU 31 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.60 2hgj n LEU 31 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 2hgj n LEU 31 CO 0.00 0.00 0.16 -1.10 0.00 0.00 0.00 177.39 176.45 2hgj s GLN 32 N 0.00 3.72 -0.05 1.96 1.11 -1.25 -4.10 119.66 121.05 2hgj s GLN 32 Ca 0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 55.36 55.21 2hgj s GLN 32 Cb 0.00 -3.77 0.03 0.00 -1.01 0.00 0.00 33.01 28.26 2hgj s GLN 32 CO 0.00 -0.53 0.12 -1.14 0.01 0.00 0.00 175.29 173.75 2hgj s GLN 33 N 2.26 0.09 -0.48 2.91 0.74 -1.25 -4.90 119.66 119.04 2hgj s GLN 33 Ca 0.17 0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.67 2hgj s GLN 33 Cb -0.16 -0.09 0.05 0.00 1.10 0.00 0.00 33.01 33.91 2hgj s GLN 33 CO 0.12 -0.11 0.53 -2.00 -0.55 0.00 0.00 175.29 173.28 2hgj s GLU 34 N 0.74 3.09 -0.31 1.67 2.12 -1.26 -0.66 118.70 124.09 2hgj s GLU 34 Ca -0.06 -0.94 -0.18 0.00 0.36 0.00 0.00 54.97 54.15 2hgj s GLU 34 Cb -0.08 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 30.23 2hgj s GLU 34 CO -0.03 -1.08 0.51 1.03 -0.54 0.00 0.00 175.26 175.14 2hgj s ARG 35 N 2.29 3.82 -0.68 4.30 0.52 0.12 -4.94 118.95 124.37 2hgj s ARG 35 Ca 0.12 0.03 -0.27 0.00 -0.52 0.00 0.00 55.73 55.09 2hgj s ARG 35 Cb -0.20 -3.74 0.02 0.00 0.52 0.00 0.00 34.95 31.55 2hgj s ARG 35 CO 0.11 -0.51 1.39 0.14 0.02 0.00 0.00 175.30 176.45 2hgj s VAL 36 N 2.35 3.69 -0.61 3.52 -7.23 -1.26 -1.06 120.40 119.80 2hgj s VAL 36 Ca 0.19 0.44 -0.10 0.00 -1.81 0.00 0.00 61.98 60.71 2hgj s VAL 36 Cb -0.15 -4.67 0.16 0.00 0.56 0.00 0.00 36.38 32.27 2hgj s VAL 36 CO 0.12 -1.57 0.50 -0.22 -0.31 0.00 0.00 175.10 173.62 2hgj s LEU 37 N 6.30 5.96 0.01 1.32 0.20 0.07 -4.99 118.68 127.55 2hgj s LEU 37 Ca 0.43 -2.29 -0.30 0.00 0.69 0.00 0.00 54.13 52.66 2hgj s LEU 37 Cb -0.09 -2.06 -0.05 0.00 -0.43 0.00 0.00 46.19 43.56 2hgj s LEU 37 CO 0.18 -0.62 1.20 -1.83 -0.29 0.00 0.00 176.35 174.99 2hgj s GLU 38 N 0.79 4.39 -0.77 1.98 1.03 -1.26 -0.99 118.70 123.87 2hgj s GLU 38 Ca 0.11 1.73 -0.27 0.00 0.03 0.00 0.00 54.97 56.57 2hgj s GLU 38 Cb -0.21 -3.45 -0.25 0.00 -0.80 0.00 0.00 34.13 29.42 2hgj s GLU 38 CO -0.03 -0.35 1.92 -0.25 -1.33 0.00 0.00 175.26 175.23 2hgj n ASP 39 N 4.55 1.63 -4.64 0.83 9.92 -0.42 -4.82 116.55 123.60 2hgj n ASP 39 Ca 0.10 -2.54 -0.42 0.00 -0.53 0.00 0.00 54.79 51.39 2hgj n ASP 39 Cb 0.46 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.57 2hgj n ASP 39 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2hgj s THR 40 N 12.38 4.70 0.62 -3.53 2.01 -1.26 -4.76 115.64 125.80 2hgj s THR 40 Ca 0.74 1.60 0.31 0.00 0.31 0.00 0.00 61.69 64.65 2hgj s THR 40 Cb 0.03 -4.25 0.36 0.00 0.01 0.00 0.00 72.50 68.66 2hgj s THR 40 CO 0.22 -0.26 2.07 -0.65 -0.69 0.00 0.00 174.62 175.31 2hgj h PRO 41 N 7.87 0.00 0.00 4.92 0.11 -1.98 0.10 132.00 143.02 2hgj h PRO 41 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2hgj h PRO 41 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hgj h PRO 41 CO 0.94 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 2hgj n ALA 42 N -2.19 -0.08 -0.32 -0.75 0.00 -1.26 -0.72 120.51 115.18 2hgj n ALA 42 Ca 0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.67 2hgj n ALA 42 Cb 0.35 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.23 2hgj n ALA 42 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2hgj h ILE 43 N 0.00 0.19 0.00 0.00 1.08 -1.93 0.19 117.51 117.04 2hgj h ILE 43 Ca 0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2hgj h ILE 43 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2hgj h ILE 43 CO 0.00 0.03 0.00 -1.14 -0.69 0.00 0.00 178.15 176.35 2hgj n ARG 44 N -5.20 0.00 -0.31 2.37 0.63 0.35 -0.73 116.66 113.76 2hgj n ARG 44 Ca 0.30 0.76 0.12 0.00 -0.92 0.00 0.00 57.85 58.11 2hgj n ARG 44 Cb 0.96 -1.48 0.24 0.00 0.45 0.00 0.00 32.46 32.63 2hgj n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgj n GLY 45 N -0.99 -1.26 0.39 5.14 0.00 0.57 0.97 105.19 110.01 2hgj n GLY 45 Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 2hgj n GLY 45 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2hgj h ASN 46 N 0.00 -1.41 -0.99 1.61 -0.73 0.17 0.22 115.58 114.45 2hgj h ASN 46 Ca 0.52 0.16 0.12 0.00 1.87 0.00 0.00 56.30 58.98 2hgj h ASN 46 Cb 1.04 0.55 -0.08 0.00 0.27 0.00 0.00 38.32 40.10 2hgj h ASN 46 CO -0.85 -0.40 0.63 0.58 -0.37 0.00 0.00 177.43 177.01 2hgj h VAL 47 N -0.49 0.92 -0.19 2.57 2.07 0.17 -1.58 116.25 119.72 2hgj h VAL 47 Ca 0.02 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2hgj h VAL 47 Cb 0.57 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2hgj h VAL 47 CO -0.35 0.18 0.11 1.05 0.02 0.00 0.00 177.57 178.58 2hgj h GLU 48 N 0.97 0.22 0.24 1.57 4.11 0.03 -0.89 114.58 120.83 2hgj h GLU 48 Ca 0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2hgj h GLU 48 Cb 0.50 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2hgj h GLU 48 CO -0.25 0.15 -0.50 -0.22 0.07 0.00 0.00 179.01 178.25 2hgj h LYS 49 N 0.23 -0.78 -0.90 1.06 3.64 -0.24 -1.33 116.57 118.24 2hgj h LYS 49 Ca 0.07 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.66 2hgj h LYS 49 Cb -0.01 0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 31.83 2hgj h LYS 49 CO -0.03 -0.52 -0.31 0.28 -2.27 0.00 0.00 179.45 176.60 2hgj n VAL 50 N -5.37 -0.44 -3.65 2.00 0.31 -0.66 -4.76 118.33 105.75 2hgj n VAL 50 Ca -0.09 2.10 0.00 0.00 -0.01 0.00 0.00 64.34 66.33 2hgj n VAL 50 Cb 0.41 -2.81 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 2hgj n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgj n ALA 51 N -3.57 0.00 0.00 3.52 0.00 -0.39 -3.59 120.51 116.48 2hgj n ALA 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2hgj n ALA 51 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2hgj n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hgj n HIS 52 N 12.14 0.00 0.00 0.00 1.44 -1.26 -1.46 115.22 126.08 2hgj n HIS 52 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2hgj n HIS 52 Cb 0.00 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2hgj n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2hgj n LEU 53 N -0.84 0.00 0.00 2.39 4.77 -1.24 -4.51 117.00 117.57 2hgj n LEU 53 Ca 0.00 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 2hgj n LEU 53 Cb 0.00 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2hgj n LEU 53 CO 0.00 -0.01 0.83 0.55 -1.33 0.00 0.00 177.39 177.42 2hgj n VAL 54 N -0.81 0.00 -3.71 4.08 3.14 -0.53 -0.95 118.33 119.54 2hgj n VAL 54 Ca 0.00 -0.55 -0.38 0.00 -2.96 0.00 0.00 64.34 60.45 2hgj n VAL 54 Cb 0.01 0.77 -0.11 0.00 -1.06 0.00 0.00 33.84 33.45 2hgj n VAL 54 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2hgj s ARG 55 N -2.05 2.33 -0.21 1.45 6.06 -0.24 -4.85 118.95 121.44 2hgj s ARG 55 Ca 0.23 -1.61 -0.20 0.00 -2.50 0.00 0.00 55.73 51.65 2hgj s ARG 55 Cb -0.03 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.33 2hgj s ARG 55 CO 0.05 -0.98 0.62 0.54 -2.50 0.00 0.00 175.30 173.03 2hgj s VAL 56 N 1.28 5.02 -0.14 7.11 0.11 -1.26 -1.11 120.40 131.41 2hgj s VAL 56 Ca 0.04 1.15 0.02 0.00 -2.93 0.00 0.00 61.98 60.26 2hgj s VAL 56 Cb -0.23 -3.93 0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2hgj s VAL 56 CO -0.01 0.10 -0.21 -1.61 -3.33 0.00 0.00 175.10 170.04 2hgj s GLU 57 N 2.01 3.06 -1.15 1.54 2.02 0.01 -5.01 118.70 121.18 2hgj s GLU 57 Ca 0.28 -0.84 -0.22 0.00 0.02 0.00 0.00 54.97 54.21 2hgj s GLU 57 Cb -0.16 -2.46 -0.07 0.00 0.10 0.00 0.00 34.13 31.53 2hgj s GLU 57 CO 0.10 0.00 1.91 0.28 0.02 0.00 0.00 175.26 177.57 2hgj n VAL 58 N 4.04 2.22 -3.25 2.63 0.31 -1.26 -1.34 118.33 121.68 2hgj n VAL 58 Ca -0.20 -2.26 -0.45 0.00 -0.01 0.00 0.00 64.34 61.43 2hgj n VAL 58 Cb 0.52 -2.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.16 2hgj n VAL 58 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2hgj s VAL 59 N 9.11 5.05 0.00 2.52 1.01 0.02 -4.98 120.40 133.12 2hgj s VAL 59 Ca 0.64 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2hgj s VAL 59 Cb 0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2hgj s VAL 59 CO 0.12 -0.84 0.00 1.21 0.00 0.00 0.00 175.10 175.59