#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm3 s GLN 2 N 0.00 2.32 0.23 3.17 -2.07 -1.26 -1.26 119.66 120.80 3hm3 s GLN 2 Ca 0.00 -0.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.62 3hm3 s GLN 2 Cb 0.00 -2.40 -0.05 0.00 -1.09 0.00 0.00 33.01 29.47 3hm3 s GLN 2 CO 0.00 0.51 -0.05 0.96 -1.32 0.00 0.00 175.29 175.39 3hm3 s ILE 3 N -1.33 1.34 0.09 3.63 -4.36 -0.72 -0.97 121.20 118.88 3hm3 s ILE 3 Ca 0.24 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.61 3hm3 s ILE 3 Cb -0.11 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 3hm3 s ILE 3 CO 0.16 -0.40 -0.10 -0.36 0.24 0.00 0.00 174.94 174.48 3hm3 s PHE 4 N -3.22 2.74 -0.12 1.37 0.40 0.28 -0.76 117.98 118.67 3hm3 s PHE 4 Ca 0.27 -0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 3hm3 s PHE 4 Cb 0.04 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.14 3hm3 s PHE 4 CO 0.09 0.41 -0.09 0.08 0.70 0.00 0.00 175.22 176.41 3hm3 s VAL 5 N -1.17 1.09 -0.35 -0.44 1.01 -0.16 -0.32 120.40 120.06 3hm3 s VAL 5 Ca 0.20 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 3hm3 s VAL 5 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.19 3hm3 s VAL 5 CO 0.12 0.38 1.13 -0.75 0.00 0.00 0.00 175.10 175.98 3hm3 s LYS 6 N 1.66 3.97 0.27 2.72 2.20 0.47 -0.89 119.74 130.13 3hm3 s LYS 6 Ca 0.05 0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 56.63 3hm3 s LYS 6 Cb -0.13 -3.80 0.06 0.00 -1.51 0.00 0.00 37.83 32.45 3hm3 s LYS 6 CO -0.08 -1.04 0.37 0.25 -0.36 0.00 0.00 175.35 174.48 3hm3 n THR 7 N 6.13 0.00 0.35 3.43 -2.24 0.66 -1.20 114.28 121.41 3hm3 n THR 7 Ca 0.12 -0.45 0.15 0.00 -2.27 0.00 0.00 64.05 61.60 3hm3 n THR 7 Cb 0.47 -1.44 0.56 0.00 -2.10 0.00 0.00 70.33 67.82 3hm3 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hm3 h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.86 -2.21 115.31 117.84 3hm3 h LEU 8 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hm3 h LEU 8 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hm3 h LEU 8 CO 0.11 0.00 -0.51 0.35 0.09 0.00 0.00 178.44 178.48 3hm3 n THR 9 N -2.69 0.27 0.00 0.22 -2.24 -1.26 -4.94 114.28 103.63 3hm3 n THR 9 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3hm3 n THR 9 Cb 0.30 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3hm3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hm3 n GLY 10 N 1.38 1.27 3.82 3.38 0.00 -0.83 -5.07 105.19 109.14 3hm3 n GLY 10 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hm3 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 11 N -0.91 2.39 -0.08 1.61 2.20 -1.26 -4.73 119.74 118.96 3hm3 s LYS 11 Ca 0.00 0.66 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 3hm3 s LYS 11 Cb 0.00 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 3hm3 s LYS 11 CO 0.00 -1.41 -0.23 0.99 -0.36 0.00 0.00 175.35 174.34 3hm3 s THR 12 N -3.17 2.22 0.30 3.43 2.01 -1.26 -0.24 115.64 118.92 3hm3 s THR 12 Ca 0.60 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.70 3hm3 s THR 12 Cb -0.14 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3hm3 s THR 12 CO 0.54 0.56 0.03 0.27 -0.69 0.00 0.00 174.62 175.33 3hm3 s ILE 13 N 0.05 3.18 -0.10 1.82 -4.36 -0.07 -4.94 121.20 116.78 3hm3 s ILE 13 Ca -0.09 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 3hm3 s ILE 13 Cb -0.15 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 3hm3 s ILE 13 CO 0.06 -0.30 -0.12 -0.89 0.24 0.00 0.00 174.94 173.93 3hm3 s THR 14 N -2.39 3.22 0.04 8.37 2.01 -1.26 -0.99 115.64 124.63 3hm3 s THR 14 Ca 0.33 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.77 3hm3 s THR 14 Cb -0.04 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3hm3 s THR 14 CO 0.20 0.55 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.79 3hm3 s LEU 15 N -0.08 2.85 -0.19 4.42 1.43 0.06 -4.98 118.68 122.19 3hm3 s LEU 15 Ca -0.01 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 3hm3 s LEU 15 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3hm3 s LEU 15 CO 0.03 0.25 0.52 -1.61 0.23 0.00 0.00 176.35 175.78 3hm3 s GLU 16 N -1.53 4.20 0.19 1.70 0.41 -1.26 -1.75 118.70 120.65 3hm3 s GLU 16 Ca 0.16 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 3hm3 s GLU 16 Cb -0.11 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.65 3hm3 s GLU 16 CO 0.07 -0.13 0.08 0.14 -0.49 0.00 0.00 175.26 174.93 3hm3 s VAL 17 N 1.57 0.28 0.11 2.63 -7.23 -0.39 -4.99 120.40 112.39 3hm3 s VAL 17 Ca 0.24 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.53 3hm3 s VAL 17 Cb -0.15 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3hm3 s VAL 17 CO 0.10 -0.23 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.89 3hm3 s GLU 18 N -4.05 1.85 0.60 4.82 2.02 -1.26 -1.53 118.70 121.15 3hm3 s GLU 18 Ca 0.32 -1.15 0.31 0.00 0.02 0.00 0.00 54.97 54.46 3hm3 s GLU 18 Cb 0.07 -2.15 1.77 0.00 0.10 0.00 0.00 34.13 33.92 3hm3 s GLU 18 CO 0.08 0.49 2.15 -1.00 0.02 0.00 0.00 175.26 176.99 3hm3 h PRO 19 N 3.71 0.00 -0.64 0.39 0.13 -1.96 0.18 132.00 133.81 3hm3 h PRO 19 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hm3 h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hm3 h PRO 19 CO 0.47 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.67 3hm3 n SER 20 N -3.68 4.94 -4.76 1.44 7.64 -1.26 -1.11 113.62 116.83 3hm3 n SER 20 Ca -0.00 -2.53 -0.41 0.00 1.01 0.00 0.00 58.87 56.94 3hm3 n SER 20 Cb 0.25 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 3hm3 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hm3 s ASP 21 N -0.90 6.40 0.69 6.43 1.01 0.63 -4.74 116.67 126.18 3hm3 s ASP 21 Ca 0.52 2.95 -0.12 0.00 0.71 0.00 0.00 52.55 56.61 3hm3 s ASP 21 Cb 0.35 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.64 3hm3 s ASP 21 CO 0.23 -0.88 1.07 0.42 0.21 0.00 0.00 175.17 176.23 3hm3 s THR 22 N -0.33 3.74 0.37 -1.27 -4.23 -1.26 -0.88 115.64 111.78 3hm3 s THR 22 Ca 0.60 0.64 0.06 0.00 -1.18 0.00 0.00 61.69 61.81 3hm3 s THR 22 Cb -0.47 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.41 3hm3 s THR 22 CO 0.52 -0.66 1.98 0.40 -0.54 0.00 0.00 174.62 176.31 3hm3 h ILE 23 N -0.49 1.04 -0.77 2.99 1.08 -0.89 -1.20 117.51 119.28 3hm3 h ILE 23 Ca -0.45 -0.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.84 3hm3 h ILE 23 Cb 1.22 0.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 3hm3 h ILE 23 CO 0.55 0.13 0.45 -0.33 -0.69 0.00 0.00 178.15 178.26 3hm3 h GLU 24 N 0.74 0.77 -0.48 2.37 5.08 -1.49 -1.01 114.58 120.56 3hm3 h GLU 24 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3hm3 h GLU 24 Cb 0.19 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hm3 h GLU 24 CO -0.09 0.51 0.24 -0.91 -1.00 0.00 0.00 179.01 177.77 3hm3 h ASN 25 N 0.79 0.61 -0.72 1.42 2.35 -1.54 -1.24 115.58 117.25 3hm3 h ASN 25 Ca 0.35 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3hm3 h ASN 25 Cb 0.24 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3hm3 h ASN 25 CO -0.20 0.55 0.28 0.58 -1.65 0.00 0.00 177.43 176.98 3hm3 h VAL 26 N 0.63 1.25 -0.89 2.81 2.07 -1.14 -2.11 116.25 118.87 3hm3 h VAL 26 Ca 0.17 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3hm3 h VAL 26 Cb 0.09 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3hm3 h VAL 26 CO -0.02 0.32 0.47 0.11 0.02 0.00 0.00 177.57 178.47 3hm3 h LYS 27 N 1.03 1.25 -0.73 1.57 1.57 -0.65 -1.78 116.57 118.84 3hm3 h LYS 27 Ca 0.24 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3hm3 h LYS 27 Cb 0.23 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 3hm3 h LYS 27 CO -0.02 0.93 0.39 0.00 -0.57 0.00 0.00 179.45 180.18 3hm3 h ALA 28 N 1.26 1.01 -0.43 3.86 0.00 -0.89 -1.57 119.26 122.49 3hm3 h ALA 28 Ca 0.31 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3hm3 h ALA 28 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hm3 h ALA 28 CO -0.05 0.01 -0.08 0.87 0.00 0.00 0.00 179.25 180.01 3hm3 h LYS 29 N 0.67 0.74 -0.08 0.00 1.57 -0.83 -2.54 116.57 116.10 3hm3 h LYS 29 Ca 0.35 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3hm3 h LYS 29 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hm3 h LYS 29 CO -0.24 0.81 -0.44 0.82 -0.57 0.00 0.00 179.45 179.82 3hm3 h ILE 30 N 0.68 1.32 -0.08 1.86 2.04 -0.74 -2.46 117.51 120.13 3hm3 h ILE 30 Ca 0.12 -1.59 -0.16 0.00 1.00 0.00 0.00 64.86 64.23 3hm3 h ILE 30 Cb 0.53 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3hm3 h ILE 30 CO 0.03 0.47 -0.66 0.06 0.00 0.00 0.00 178.15 178.05 3hm3 h GLN 31 N 0.15 0.32 -0.55 2.37 3.07 -1.03 0.38 115.11 119.82 3hm3 h GLN 31 Ca 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 58.65 58.47 3hm3 h GLN 31 Cb 0.85 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.43 3hm3 h GLN 31 CO 0.07 0.86 0.17 -0.44 0.09 0.00 0.00 178.83 179.57 3hm3 h ASP 32 N 0.23 0.76 0.09 0.06 3.32 -1.04 0.12 116.42 119.96 3hm3 h ASP 32 Ca -0.01 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 3hm3 h ASP 32 Cb 1.19 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3hm3 h ASP 32 CO 0.11 0.72 -0.74 0.11 -1.72 0.00 0.00 179.24 177.71 3hm3 h LYS 33 N 0.80 0.20 0.00 3.56 1.79 -1.07 -3.41 116.57 118.44 3hm3 h LYS 33 Ca 0.18 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3hm3 h LYS 33 Cb 0.24 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3hm3 h LYS 33 CO -0.01 1.16 -1.49 0.39 -1.08 0.00 0.00 179.45 178.43 3hm3 n GLU 34 N -4.23 0.67 -1.25 3.15 -0.58 0.13 -4.99 120.64 113.53 3hm3 n GLU 34 Ca -0.16 -0.11 -0.09 0.00 -0.42 0.00 0.00 57.16 56.39 3hm3 n GLU 34 Cb 0.75 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 30.15 3hm3 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hm3 n GLY 35 N 1.42 1.06 3.59 0.62 0.00 0.41 -5.02 105.19 107.27 3hm3 n GLY 35 Ca -0.01 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 3hm3 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm3 s ILE 36 N -2.32 5.18 0.58 -0.61 -1.09 -1.26 -5.05 121.20 116.64 3hm3 s ILE 36 Ca 0.00 0.46 -0.20 0.00 -2.23 0.00 0.00 60.65 58.68 3hm3 s ILE 36 Cb 0.00 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 3hm3 s ILE 36 CO 0.00 0.12 1.32 -2.84 -1.23 0.00 0.00 174.94 172.31 3hm3 s PRO 37 N 2.05 2.93 0.48 2.79 0.02 -1.26 -4.25 135.00 137.75 3hm3 s PRO 37 Ca 0.14 2.13 0.16 0.00 0.02 0.00 0.00 61.00 63.45 3hm3 s PRO 37 Cb -0.16 -2.08 1.14 0.00 0.02 0.00 0.00 34.50 33.42 3hm3 s PRO 37 CO 0.10 -1.33 2.06 -1.35 -0.33 0.00 0.00 177.00 176.16 3hm3 h PRO 38 N 1.09 0.00 0.00 5.54 0.11 -1.95 -0.55 132.00 136.24 3hm3 h PRO 38 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hm3 h PRO 38 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hm3 h PRO 38 CO 0.56 0.11 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.97 3hm3 h ASP 39 N 0.00 0.00 -0.67 -2.05 3.32 -1.97 -2.07 116.42 112.99 3hm3 h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hm3 h ASP 39 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hm3 h ASP 39 CO 0.01 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3hm3 n GLN 40 N -3.59 2.66 -4.40 3.56 3.00 -0.22 -4.82 117.38 113.57 3hm3 n GLN 40 Ca -0.02 -2.57 -0.34 0.00 -0.01 0.00 0.00 57.00 54.06 3hm3 n GLN 40 Cb 0.16 -1.56 -0.11 0.00 0.00 0.00 0.00 30.24 28.73 3hm3 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3hm3 s GLN 41 N -1.12 3.39 -0.12 -1.09 -0.21 -0.78 -0.92 119.66 118.82 3hm3 s GLN 41 Ca 0.47 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.38 3hm3 s GLN 41 Cb 0.25 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.42 3hm3 s GLN 41 CO 0.33 0.42 -0.14 0.50 -2.12 0.00 0.00 175.29 174.28 3hm3 s ARG 42 N -0.12 2.14 -0.11 2.91 3.52 -0.19 -4.79 118.95 122.31 3hm3 s ARG 42 Ca 0.03 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 3hm3 s ARG 42 Cb -0.13 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 3hm3 s ARG 42 CO 0.02 -0.14 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.84 3hm3 s LEU 43 N 1.23 3.41 -0.06 -0.88 1.43 -1.26 -0.27 118.68 122.28 3hm3 s LEU 43 Ca -0.02 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3hm3 s LEU 43 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3hm3 s LEU 43 CO -0.05 0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 175.97 3hm3 s ILE 44 N -0.37 1.83 -0.05 -0.59 -1.09 0.23 -1.14 121.20 120.02 3hm3 s ILE 44 Ca 0.07 -0.93 -0.00 0.00 -2.23 0.00 0.00 60.65 57.55 3hm3 s ILE 44 Cb -0.12 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.22 3hm3 s ILE 44 CO 0.02 0.51 -0.02 0.12 -1.23 0.00 0.00 174.94 174.35 3hm3 s PHE 45 N 0.00 0.63 -1.46 3.97 5.36 0.36 -0.75 117.98 126.09 3hm3 s PHE 45 Ca -0.06 -0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 55.68 3hm3 s PHE 45 Cb -0.14 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3hm3 s PHE 45 CO 0.04 -0.24 0.90 0.00 -1.46 0.00 0.00 175.22 174.46 3hm3 n ALA 46 N 4.54 -1.16 -0.48 11.12 0.00 -1.26 -1.05 120.51 132.22 3hm3 n ALA 46 Ca -0.17 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3hm3 n ALA 46 Cb 0.50 -4.65 0.00 0.00 0.00 0.00 0.00 19.45 15.31 3hm3 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm3 n GLY 47 N -1.75 1.78 3.76 0.00 0.00 -1.26 -5.01 105.19 102.71 3hm3 n GLY 47 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3hm3 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 48 N -0.09 2.99 0.02 1.61 2.20 -0.22 -5.07 119.74 121.18 3hm3 s LYS 48 Ca 0.00 -0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 54.78 3hm3 s LYS 48 Cb 0.00 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3hm3 s LYS 48 CO 0.00 0.63 0.90 -1.14 -0.36 0.00 0.00 175.35 175.38 3hm3 s GLN 49 N -1.82 4.57 -0.13 4.03 0.74 -1.26 -0.49 119.66 125.30 3hm3 s GLN 49 Ca 0.23 1.30 -0.14 0.00 0.05 0.00 0.00 55.36 56.80 3hm3 s GLN 49 Cb -0.12 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3hm3 s GLN 49 CO 0.15 0.08 0.31 -0.51 -0.55 0.00 0.00 175.29 174.77 3hm3 s LEU 50 N 0.57 4.30 0.22 3.68 1.43 -0.30 -4.95 118.68 123.63 3hm3 s LEU 50 Ca 0.47 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.11 3hm3 s LEU 50 Cb -0.21 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 3hm3 s LEU 50 CO 0.26 0.15 0.47 -1.61 0.23 0.00 0.00 176.35 175.86 3hm3 s GLU 51 N 0.10 3.64 0.24 1.70 0.41 -1.26 -4.64 118.70 118.89 3hm3 s GLU 51 Ca 0.18 -0.03 -0.07 0.00 -0.41 0.00 0.00 54.97 54.65 3hm3 s GLU 51 Cb -0.14 -2.74 0.23 0.00 -1.78 0.00 0.00 34.13 29.70 3hm3 s GLU 51 CO 0.06 0.34 1.88 -0.44 -0.49 0.00 0.00 175.26 176.61 3hm3 h ASP 52 N 2.23 1.13 1.15 -0.19 3.45 -1.98 -3.06 116.42 119.15 3hm3 h ASP 52 Ca -0.47 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 56.92 3hm3 h ASP 52 Cb 1.18 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3hm3 h ASP 52 CO 0.69 0.87 -0.27 0.61 -1.57 0.00 0.00 179.24 179.57 3hm3 n GLY 53 N -1.23 -1.56 3.89 2.75 0.00 -1.26 -1.35 105.19 106.43 3hm3 n GLY 53 Ca 0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3hm3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hm3 s ARG 54 N -3.11 3.57 0.30 1.61 0.52 -1.16 -4.83 118.95 115.85 3hm3 s ARG 54 Ca 0.09 0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.80 3hm3 s ARG 54 Cb 0.14 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 3hm3 s ARG 54 CO 0.64 -0.36 0.43 0.95 0.02 0.00 0.00 175.30 176.99 3hm3 s THR 55 N -2.93 4.58 0.25 0.02 -4.23 -1.26 -0.91 115.64 111.16 3hm3 s THR 55 Ca 0.51 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 3hm3 s THR 55 Cb -0.11 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.36 3hm3 s THR 55 CO 0.49 -0.24 1.77 -0.07 -0.54 0.00 0.00 174.62 176.03 3hm3 h LEU 56 N 0.99 0.54 -0.61 4.79 3.38 -1.10 -2.40 115.31 120.90 3hm3 h LEU 56 Ca -0.48 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3hm3 h LEU 56 Cb 1.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3hm3 h LEU 56 CO 0.56 0.25 0.35 -1.28 0.09 0.00 0.00 178.44 178.42 3hm3 h SER 57 N 0.65 0.74 -1.02 -0.43 0.87 -1.37 -1.73 113.55 111.26 3hm3 h SER 57 Ca 0.43 -0.07 0.30 0.00 -1.23 0.00 0.00 61.79 61.22 3hm3 h SER 57 Cb 0.56 -0.19 -0.14 0.00 -0.44 0.00 0.00 62.40 62.19 3hm3 h SER 57 CO -0.33 0.60 0.60 0.44 -0.53 0.00 0.00 176.83 177.61 3hm3 h ASP 58 N 0.82 0.55 -0.62 6.23 3.32 -1.73 -1.78 116.42 123.22 3hm3 h ASP 58 Ca 0.22 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3hm3 h ASP 58 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hm3 h ASP 58 CO -0.04 -0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.22 3hm3 n TYR 59 N -4.95 0.82 -3.41 4.55 4.02 -0.73 -4.96 117.16 112.50 3hm3 n TYR 59 Ca 0.30 -0.41 -0.25 0.00 -0.01 0.00 0.00 57.90 57.53 3hm3 n TYR 59 Cb 0.92 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.26 3hm3 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hm3 n ASN 60 N 1.56 -4.94 -4.60 7.72 5.15 -0.67 -4.92 115.26 114.56 3hm3 n ASN 60 Ca 0.23 -0.47 -0.43 0.00 -0.60 0.00 0.00 54.58 53.31 3hm3 n ASN 60 Cb 0.60 -3.99 -0.02 0.00 -0.53 0.00 0.00 39.78 35.84 3hm3 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hm3 s ILE 61 N -3.13 4.15 0.57 -1.44 1.01 -0.74 -4.99 121.20 116.63 3hm3 s ILE 61 Ca 0.45 1.15 0.08 0.00 0.00 0.00 0.00 60.65 62.32 3hm3 s ILE 61 Cb -0.22 -4.59 0.08 0.00 0.01 0.00 0.00 42.46 37.73 3hm3 s ILE 61 CO 0.56 -1.05 0.63 0.00 0.00 0.00 0.00 174.94 175.08 3hm3 n GLN 62 N 7.97 0.63 -1.80 2.79 6.02 -1.26 -4.60 117.38 127.12 3hm3 n GLN 62 Ca 0.12 -3.31 -0.37 0.00 -0.01 0.00 0.00 57.00 53.42 3hm3 n GLN 62 Cb 0.49 0.04 0.05 0.00 1.02 0.00 0.00 30.24 31.84 3hm3 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hm3 s LYS 63 N -4.49 2.81 -0.28 -1.09 -2.85 -1.26 -1.71 119.74 110.86 3hm3 s LYS 63 Ca 0.48 2.08 0.00 0.00 -1.00 0.00 0.00 55.97 57.53 3hm3 s LYS 63 Cb -0.04 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3hm3 s LYS 63 CO 0.30 -1.40 0.00 0.39 0.10 0.00 0.00 175.35 174.74 3hm3 n GLU 64 N -1.58 -1.91 -1.75 1.78 1.02 -0.15 -4.99 120.64 113.06 3hm3 n GLU 64 Ca 0.14 0.59 -0.39 0.00 -0.02 0.00 0.00 57.16 57.48 3hm3 n GLU 64 Cb 0.47 -5.06 0.04 0.00 -0.02 0.00 0.00 31.44 26.88 3hm3 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hm3 s SER 65 N -2.10 5.28 -0.20 1.62 0.01 -0.70 -4.68 113.70 112.93 3hm3 s SER 65 Ca 0.00 2.81 -0.05 0.00 1.31 0.00 0.00 55.95 60.02 3hm3 s SER 65 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3hm3 s SER 65 CO 0.00 -1.57 -0.01 -0.89 0.41 0.00 0.00 173.24 171.18 3hm3 s THR 66 N -1.28 3.88 0.13 1.44 2.01 -1.26 -0.56 115.64 120.00 3hm3 s THR 66 Ca 0.71 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3hm3 s THR 66 Cb -0.41 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3hm3 s THR 66 CO 0.49 0.43 0.29 -0.76 -0.69 0.00 0.00 174.62 174.38 3hm3 s LEU 67 N 1.06 4.32 -0.13 4.42 1.43 0.56 -4.65 118.68 125.68 3hm3 s LEU 67 Ca 0.02 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3hm3 s LEU 67 Cb -0.14 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 3hm3 s LEU 67 CO 0.01 0.07 -0.05 -1.00 0.23 0.00 0.00 176.35 175.61 3hm3 s HIS 68 N -1.68 2.98 -0.12 0.29 3.76 0.07 -0.39 115.29 120.20 3hm3 s HIS 68 Ca 0.36 -0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 54.87 3hm3 s HIS 68 Cb -0.12 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 3hm3 s HIS 68 CO 0.28 0.05 0.37 -1.17 -0.85 0.00 0.00 174.74 173.42 3hm3 s LEU 69 N 0.04 4.29 0.01 0.89 2.96 -0.34 -0.60 118.68 125.93 3hm3 s LEU 69 Ca -0.01 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 3hm3 s LEU 69 Cb -0.14 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 3hm3 s LEU 69 CO 0.03 0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.29 3hm3 s VAL 70 N 0.30 1.39 0.09 1.68 1.01 0.63 -4.52 120.40 120.98 3hm3 s VAL 70 Ca 0.21 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3hm3 s VAL 70 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3hm3 s VAL 70 CO 0.07 0.25 1.02 -0.22 0.00 0.00 0.00 175.10 176.23 3hm3 s LEU 71 N -0.77 4.45 -0.37 3.92 2.96 -1.26 -1.02 118.68 126.59 3hm3 s LEU 71 Ca 0.06 1.84 -0.07 0.00 -0.22 0.00 0.00 54.13 55.74 3hm3 s LEU 71 Cb -0.07 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.09 3hm3 s LEU 71 CO 0.00 -0.19 0.17 -0.60 -1.32 0.00 0.00 176.35 174.41 3hm3 s ARG 72 N 0.30 2.51 -0.10 1.98 3.52 -0.09 -4.85 118.95 122.23 3hm3 s ARG 72 Ca 0.50 -1.37 -0.00 0.00 -0.13 0.00 0.00 55.73 54.72 3hm3 s ARG 72 Cb -0.25 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3hm3 s ARG 72 CO 0.30 -0.82 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.38 3hm3 s LEU 73 N 1.36 3.03 0.24 -0.88 1.02 -1.26 -4.46 118.68 117.73 3hm3 s LEU 73 Ca 0.01 -0.14 0.06 0.00 0.02 0.00 0.00 54.13 54.08 3hm3 s LEU 73 Cb -0.21 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 3hm3 s LEU 73 CO 0.01 0.27 0.23 -0.13 0.02 0.00 0.00 176.35 176.74 3hm3 s ARG 74 N -0.24 3.04 0.00 1.70 3.00 -1.26 -4.69 118.95 120.50 3hm3 s ARG 74 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 55.73 54.79 3hm3 s ARG 74 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.17 3hm3 s ARG 74 CO 0.03 0.42 0.00 0.41 0.00 0.00 0.00 175.30 176.16 3hm3 n GLY 75 N -1.12 2.08 0.00 -3.53 0.00 -1.26 -5.28 105.19 96.07 3hm3 n GLY 75 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hm3 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93