#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm2 h GLN 4 N 0.00 0.00 0.31 1.61 4.20 -2.06 -2.04 115.11 117.13 3hm2 h GLN 4 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hm2 h GLN 4 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hm2 h GLN 4 CO 0.00 0.26 -0.15 1.25 -0.67 0.00 0.00 178.83 179.52 3hm2 h LEU 5 N 0.00 -0.35 -0.76 1.46 5.85 -2.06 -3.07 115.31 116.38 3hm2 h LEU 5 Ca -0.10 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.54 3hm2 h LEU 5 Cb 1.42 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 3hm2 h LEU 5 CO 0.04 0.01 -0.38 0.41 -0.34 0.00 0.00 178.44 178.18 3hm2 n THR 6 N -5.13 -0.46 -0.26 1.05 -1.04 -1.24 -1.66 114.28 105.54 3hm2 n THR 6 Ca -0.10 1.81 -0.00 0.00 -2.04 0.00 0.00 64.05 63.72 3hm2 n THR 6 Cb 0.26 -2.30 0.12 0.00 -1.82 0.00 0.00 70.33 66.59 3hm2 n THR 6 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3hm2 h LYS 7 N 0.00 0.75 -0.21 -2.82 1.57 -1.38 -2.63 116.57 111.84 3hm2 h LYS 7 Ca 0.19 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3hm2 h LYS 7 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3hm2 h LYS 7 CO -0.73 0.50 0.00 0.37 -0.57 0.00 0.00 179.45 179.02 3hm2 h GLN 8 N 0.78 0.38 -0.23 3.15 4.15 -1.21 -0.33 115.11 121.79 3hm2 h GLN 8 Ca 0.33 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.69 3hm2 h GLN 8 Cb 0.21 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 3hm2 h GLN 8 CO -0.19 0.56 -0.13 0.45 -1.93 0.00 0.00 178.83 177.59 3hm2 h HIS 9 N 0.14 -0.31 -0.31 3.99 3.86 -1.30 1.41 115.15 122.63 3hm2 h HIS 9 Ca 0.06 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3hm2 h HIS 9 Cb 0.39 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3hm2 h HIS 9 CO 0.03 -0.19 -0.04 0.28 0.86 0.00 0.00 177.93 178.87 3hm2 h VAL 10 N -0.11 1.20 -0.61 2.45 2.07 -1.52 0.39 116.25 120.13 3hm2 h VAL 10 Ca 0.13 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3hm2 h VAL 10 Cb 0.30 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hm2 h VAL 10 CO -0.30 0.28 0.10 -0.09 0.02 0.00 0.00 177.57 177.58 3hm2 h ARG 11 N 0.46 0.99 -0.32 1.57 2.43 -0.03 -2.09 114.38 117.40 3hm2 h ARG 11 Ca 0.10 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3hm2 h ARG 11 Cb 0.37 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3hm2 h ARG 11 CO 0.02 0.91 0.18 0.00 -1.51 0.00 0.00 179.97 179.57 3hm2 h ALA 12 N 1.17 0.39 0.00 2.80 0.00 0.30 -2.71 119.26 121.21 3hm2 h ALA 12 Ca 0.19 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3hm2 h ALA 12 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hm2 h ALA 12 CO 0.01 -0.18 -0.81 -0.07 0.00 0.00 0.00 179.25 178.20 3hm2 h LEU 13 N 0.37 0.00 0.63 0.00 3.38 -0.77 -0.45 115.31 118.46 3hm2 h LEU 13 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hm2 h LEU 13 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hm2 h LEU 13 CO -0.06 0.81 -0.30 0.00 0.09 0.00 0.00 178.44 178.97 3hm2 h ALA 14 N 1.19 -1.15 -0.20 1.53 0.00 -1.37 -2.47 119.26 116.79 3hm2 h ALA 14 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hm2 h ALA 14 Cb 1.53 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3hm2 h ALA 14 CO 0.10 -1.09 0.14 0.82 0.00 0.00 0.00 179.25 179.22 3hm2 h ILE 15 N -0.89 0.98 0.19 0.00 1.08 -1.35 0.36 117.51 117.88 3hm2 h ILE 15 Ca -0.09 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3hm2 h ILE 15 Cb 0.64 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3hm2 h ILE 15 CO 0.14 0.03 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.26 3hm2 h SER 16 N 0.15 -0.22 1.36 1.72 0.87 -1.09 0.11 113.55 116.46 3hm2 h SER 16 Ca 0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hm2 h SER 16 Cb 0.15 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3hm2 h SER 16 CO -0.01 -0.16 -0.26 0.00 -0.53 0.00 0.00 176.83 175.87 3hm2 h ALA 17 N 0.55 0.84 0.07 6.23 0.00 -0.87 -3.11 119.26 122.98 3hm2 h ALA 17 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hm2 h ALA 17 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hm2 h ALA 17 CO 0.04 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 179.19 3hm2 h LEU 18 N 0.00 -0.08 -2.58 0.00 3.38 -0.13 -3.49 115.31 112.41 3hm2 h LEU 18 Ca 0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3hm2 h LEU 18 Cb 0.81 0.02 0.05 0.00 0.09 0.00 0.00 40.66 41.63 3hm2 h LEU 18 CO 0.00 0.37 -0.23 0.00 0.09 0.00 0.00 178.44 178.67 3hm2 n ALA 19 N -2.38 -2.09 -1.77 1.53 0.00 0.37 -4.91 120.51 111.26 3hm2 n ALA 19 Ca -0.08 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 3hm2 n ALA 19 Cb 0.24 -2.26 -0.00 0.00 0.00 0.00 0.00 19.45 17.43 3hm2 n ALA 19 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hm2 s PRO 20 N -3.37 4.05 -0.23 0.00 0.02 -1.26 -5.13 135.00 129.09 3hm2 s PRO 20 Ca 0.12 2.46 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 3hm2 s PRO 20 Cb -0.02 -2.91 -0.10 0.00 0.02 0.00 0.00 34.50 31.50 3hm2 s PRO 20 CO 0.53 -0.54 -0.31 1.63 -0.33 0.00 0.00 177.00 177.98 3hm2 n LYS 21 N 0.36 0.50 0.00 5.54 5.02 -1.26 -4.99 118.16 123.32 3hm2 n LYS 21 Ca 0.02 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3hm2 n LYS 21 Cb 0.40 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3hm2 n LYS 21 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3hm2 n GLU 24 N -4.09 0.00 -2.44 1.97 2.13 -1.26 -5.08 120.64 111.88 3hm2 n GLU 24 Ca -0.43 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 56.96 3hm2 n GLU 24 Cb 0.79 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.48 3hm2 n GLU 24 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3hm2 s THR 25 N 0.00 4.24 -0.02 6.31 2.01 -1.26 -3.10 115.64 123.83 3hm2 s THR 25 Ca 0.00 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.46 3hm2 s THR 25 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3hm2 s THR 25 CO 0.00 -0.29 0.07 -0.22 -0.69 0.00 0.00 174.62 173.49 3hm2 s LEU 26 N 3.87 3.87 -0.09 4.42 2.96 -1.22 -0.42 118.68 132.07 3hm2 s LEU 26 Ca 0.55 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3hm2 s LEU 26 Cb -0.19 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3hm2 s LEU 26 CO 0.18 0.29 -0.01 0.26 -1.32 0.00 0.00 176.35 175.75 3hm2 s TRP 27 N -1.15 3.13 -0.23 5.38 0.52 0.64 -0.59 118.94 126.63 3hm2 s TRP 27 Ca 0.21 0.13 -0.02 0.00 0.02 0.00 0.00 56.10 56.44 3hm2 s TRP 27 Cb -0.12 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.46 3hm2 s TRP 27 CO 0.12 0.40 0.03 0.34 0.02 0.00 0.00 176.95 177.86 3hm2 s ASP 28 N -0.71 3.40 -0.24 2.95 -1.08 -0.41 -1.41 116.67 119.16 3hm2 s ASP 28 Ca 0.11 -1.11 -0.02 0.00 -0.52 0.00 0.00 52.55 51.01 3hm2 s ASP 28 Cb -0.12 -0.79 0.02 0.00 -1.46 0.00 0.00 42.92 40.57 3hm2 s ASP 28 CO 0.02 -0.32 -0.06 -0.63 0.52 0.00 0.00 175.17 174.70 3hm2 s ILE 29 N 1.70 2.96 0.00 4.11 1.01 -0.89 -1.50 121.20 128.60 3hm2 s ILE 29 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3hm2 s ILE 29 Cb -0.17 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3hm2 s ILE 29 CO -0.12 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3hm2 n GLY 30 N 4.70 -0.30 5.61 6.18 0.00 -0.95 -2.34 105.19 118.09 3hm2 n GLY 30 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3hm2 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 31 N 0.00 0.51 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.59 3hm2 n GLY 31 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3hm2 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 34 N 0.00 0.00 0.09 -0.02 0.00 -1.26 -5.02 105.19 98.98 3hm2 n GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3hm2 n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hm2 h SER 35 N 0.00 0.00 0.21 1.61 4.64 -1.98 -3.18 113.55 114.84 3hm2 h SER 35 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3hm2 h SER 35 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hm2 h SER 35 CO 0.00 0.84 -0.10 0.40 -0.87 0.00 0.00 176.83 177.10 3hm2 h ILE 36 N 0.00 0.71 0.08 0.95 1.08 -1.98 -2.78 117.51 115.57 3hm2 h ILE 36 Ca -0.07 -0.39 -0.18 0.00 -0.39 0.00 0.00 64.86 63.83 3hm2 h ILE 36 Cb 1.70 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 36.68 3hm2 h ILE 36 CO 0.10 0.10 -0.90 0.00 -0.69 0.00 0.00 178.15 176.76 3hm2 h ALA 37 N 1.90 0.08 -0.90 1.87 0.00 -1.97 -2.88 119.26 117.36 3hm2 h ALA 37 Ca -0.00 -0.87 0.25 0.00 0.00 0.00 0.00 54.91 54.29 3hm2 h ALA 37 Cb 0.23 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 3hm2 h ALA 37 CO 0.01 0.49 0.30 0.82 0.00 0.00 0.00 179.25 180.88 3hm2 h ILE 38 N -0.60 0.32 0.00 0.00 5.03 -1.57 0.24 117.51 120.94 3hm2 h ILE 38 Ca -0.20 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 3hm2 h ILE 38 Cb 1.48 0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 35.33 3hm2 h ILE 38 CO 0.03 0.04 -0.30 -0.33 -0.68 0.00 0.00 178.15 176.91 3hm2 h GLU 39 N 0.24 0.00 0.00 2.37 4.39 -1.54 -3.05 114.58 116.99 3hm2 h GLU 39 Ca 0.58 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.27 3hm2 h GLU 39 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3hm2 h GLU 39 CO -0.64 0.03 -1.95 1.87 -1.16 0.00 0.00 179.01 177.16 3hm2 n TRP 40 N -3.00 0.07 -0.10 4.33 -0.00 -0.79 -2.58 117.44 115.37 3hm2 n TRP 40 Ca 0.03 0.02 -0.11 0.00 -0.00 0.00 0.00 57.50 57.44 3hm2 n TRP 40 Cb 0.55 -0.55 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 3hm2 n TRP 40 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3hm2 h LEU 41 N 0.00 0.90 -0.32 5.87 3.38 -0.53 -2.96 115.31 121.66 3hm2 h LEU 41 Ca -0.02 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 3hm2 h LEU 41 Cb 1.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3hm2 h LEU 41 CO 0.00 1.16 -0.68 0.08 0.09 0.00 0.00 178.44 179.09 3hm2 h ARG 42 N 0.71 0.00 -0.29 1.13 0.11 -1.64 -3.27 114.38 111.13 3hm2 h ARG 42 Ca 0.07 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.22 3hm2 h ARG 42 Cb 0.91 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.91 3hm2 h ARG 42 CO 0.08 0.68 -0.26 0.66 0.10 0.00 0.00 179.97 181.23 3hm2 h SER 43 N 0.00 -0.84 -3.46 0.08 4.64 -1.34 -3.43 113.55 109.20 3hm2 h SER 43 Ca -0.01 0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.80 3hm2 h SER 43 Cb 1.38 0.40 -0.15 0.00 -0.31 0.00 0.00 62.40 63.72 3hm2 h SER 43 CO 0.09 -0.29 -0.66 -0.89 -0.87 0.00 0.00 176.83 174.21 3hm2 s THR 44 N -6.07 3.98 -0.35 2.95 2.01 -1.14 -5.06 115.64 111.97 3hm2 s THR 44 Ca -0.15 -0.62 -0.38 0.00 0.31 0.00 0.00 61.69 60.85 3hm2 s THR 44 Cb 0.13 -2.74 -0.14 0.00 0.01 0.00 0.00 72.50 69.75 3hm2 s THR 44 CO 0.68 0.42 2.02 -2.65 -0.69 0.00 0.00 174.62 174.39 3hm2 n PRO 45 N 1.57 0.94 -3.21 4.92 -0.02 -1.26 -3.50 135.00 134.44 3hm2 n PRO 45 Ca -0.15 0.30 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 3hm2 n PRO 45 Cb 0.53 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3hm2 n PRO 45 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hm2 n GLN 46 N 7.04 -5.91 -2.19 -0.52 1.13 -1.26 -4.82 117.38 110.84 3hm2 n GLN 46 Ca 0.38 0.89 -0.34 0.00 -1.94 0.00 0.00 57.00 55.98 3hm2 n GLN 46 Cb 0.15 -5.82 0.01 0.00 0.11 0.00 0.00 30.24 24.68 3hm2 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3hm2 s THR 47 N -3.23 3.28 0.51 5.09 2.01 -1.23 -4.43 115.64 117.64 3hm2 s THR 47 Ca 0.40 0.75 0.02 0.00 0.31 0.00 0.00 61.69 63.17 3hm2 s THR 47 Cb -0.18 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.08 3hm2 s THR 47 CO 0.49 -0.22 0.72 -0.89 -0.69 0.00 0.00 174.62 174.04 3hm2 s THR 48 N -1.92 2.97 0.06 -0.82 2.01 -1.18 -4.82 115.64 111.94 3hm2 s THR 48 Ca 0.71 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 3hm2 s THR 48 Cb -0.22 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.24 3hm2 s THR 48 CO 0.29 -0.06 0.46 0.00 -0.69 0.00 0.00 174.62 174.62 3hm2 s ALA 49 N -2.66 -1.13 -0.05 7.40 0.00 -1.14 -3.37 121.76 120.81 3hm2 s ALA 49 Ca 0.55 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3hm2 s ALA 49 Cb -0.10 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3hm2 s ALA 49 CO 0.37 -0.50 0.13 0.08 0.00 0.00 0.00 175.76 175.83 3hm2 s VAL 50 N -2.65 -0.01 -0.11 0.00 1.01 0.24 -2.50 120.40 116.38 3hm2 s VAL 50 Ca -0.04 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3hm2 s VAL 50 Cb -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.19 3hm2 s VAL 50 CO -0.04 0.01 -0.23 0.00 0.00 0.00 0.00 175.10 174.85 3hm2 s PHE 52 N 0.41 3.36 -0.02 0.00 0.40 -0.56 -0.18 117.98 121.40 3hm2 s PHE 52 Ca -0.17 -1.95 -0.01 0.00 -0.60 0.00 0.00 56.93 54.21 3hm2 s PHE 52 Cb -0.17 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 40.90 3hm2 s PHE 52 CO 0.07 -0.84 0.04 -2.00 0.70 0.00 0.00 175.22 173.19 3hm2 s GLU 53 N 1.25 0.01 -0.01 0.44 2.56 -1.09 -2.25 118.70 119.61 3hm2 s GLU 53 Ca -0.00 0.13 -0.14 0.00 0.00 0.00 0.00 54.97 54.96 3hm2 s GLU 53 Cb -0.21 -0.11 -0.08 0.00 2.00 0.00 0.00 34.13 35.74 3hm2 s GLU 53 CO -0.01 -0.09 0.77 -0.84 -0.56 0.00 0.00 175.26 174.54 3hm2 h ILE 54 N 5.67 0.00 -2.57 -3.70 -0.00 -1.88 -3.19 117.51 111.85 3hm2 h ILE 54 Ca -0.35 -0.28 -0.60 0.00 -0.00 0.00 0.00 64.86 63.63 3hm2 h ILE 54 Cb 1.17 0.00 0.10 0.00 -0.00 0.00 0.00 36.82 38.09 3hm2 h ILE 54 CO 0.48 0.00 0.32 -1.20 -0.00 0.00 0.00 178.15 177.75 3hm2 n SER 55 N -4.14 1.86 0.00 2.16 7.64 -1.26 -4.67 113.62 115.22 3hm2 n SER 55 Ca -0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3hm2 n SER 55 Cb 0.20 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 3hm2 n SER 55 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3hm2 n GLU 56 N 1.14 0.00 0.10 1.43 4.07 -1.26 -1.67 120.64 124.45 3hm2 n GLU 56 Ca 0.10 0.41 0.08 0.00 -0.06 0.00 0.00 57.16 57.68 3hm2 n GLU 56 Cb 0.31 -1.38 0.39 0.00 -0.06 0.00 0.00 31.44 30.70 3hm2 n GLU 56 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3hm2 n GLU 57 N -1.69 0.10 -0.01 5.31 2.13 -1.26 -1.66 120.64 123.57 3hm2 n GLU 57 Ca 0.00 0.55 -0.12 0.00 0.66 0.00 0.00 57.16 58.25 3hm2 n GLU 57 Cb 0.00 -1.79 -0.08 0.00 0.27 0.00 0.00 31.44 29.84 3hm2 n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hm2 h ARG 58 N 0.00 0.05 -0.87 5.31 3.08 -1.83 -0.82 114.38 119.31 3hm2 h ARG 58 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hm2 h ARG 58 Cb 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3hm2 h ARG 58 CO 0.00 0.36 0.53 0.00 -1.07 0.00 0.00 179.97 179.78 3hm2 h ARG 59 N -0.26 1.17 -0.80 0.04 3.08 -0.50 -0.24 114.38 116.88 3hm2 h ARG 59 Ca 0.01 -0.10 0.17 0.00 0.07 0.00 0.00 59.98 60.13 3hm2 h ARG 59 Cb 0.33 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3hm2 h ARG 59 CO 0.00 0.81 0.53 0.93 -1.07 0.00 0.00 179.97 181.18 3hm2 h GLU 60 N 1.19 0.38 0.22 0.04 5.08 -1.14 -2.57 114.58 117.79 3hm2 h GLU 60 Ca 0.31 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.32 3hm2 h GLU 60 Cb -0.06 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.13 3hm2 h GLU 60 CO -0.06 0.25 -1.47 0.00 -1.00 0.00 0.00 179.01 176.73 3hm2 h ARG 61 N 0.39 0.48 -1.05 2.33 3.08 0.39 -3.00 114.38 117.00 3hm2 h ARG 61 Ca 0.40 -0.81 0.27 0.00 0.07 0.00 0.00 59.98 59.91 3hm2 h ARG 61 Cb 0.97 0.30 -0.11 0.00 0.08 0.00 0.00 29.97 31.22 3hm2 h ARG 61 CO -0.13 1.39 0.66 0.82 -1.07 0.00 0.00 179.97 181.63 3hm2 h ILE 62 N 0.13 0.49 0.03 2.04 2.04 -0.73 -0.30 117.51 121.21 3hm2 h ILE 62 Ca -0.24 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 3hm2 h ILE 62 Cb 2.13 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3hm2 h ILE 62 CO 0.25 0.08 -0.28 0.25 0.00 0.00 0.00 178.15 178.45 3hm2 h LEU 63 N 0.43 0.20 -0.61 1.44 5.85 -1.48 0.16 115.31 121.30 3hm2 h LEU 63 Ca 0.63 -0.87 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3hm2 h LEU 63 Cb 1.50 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3hm2 h LEU 63 CO -0.37 1.05 0.02 -1.28 -0.34 0.00 0.00 178.44 177.53 3hm2 h SER 64 N -0.62 1.03 -0.65 1.25 0.87 -1.42 0.46 113.55 114.46 3hm2 h SER 64 Ca -0.04 -0.30 0.13 0.00 -1.23 0.00 0.00 61.79 60.36 3hm2 h SER 64 Cb 1.12 -0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 62.70 3hm2 h SER 64 CO 0.05 1.07 0.11 0.78 -0.53 0.00 0.00 176.83 178.32 3hm2 h ASN 65 N 0.96 -0.07 0.35 6.23 2.35 -1.03 -1.27 115.58 123.09 3hm2 h ASN 65 Ca 0.17 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3hm2 h ASN 65 Cb 0.53 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3hm2 h ASN 65 CO 0.03 -0.04 -0.17 0.00 -1.65 0.00 0.00 177.43 175.60 3hm2 h ALA 66 N 1.55 -0.47 -0.00 -0.83 0.00 -0.05 -3.21 119.26 116.25 3hm2 h ALA 66 Ca 0.35 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hm2 h ALA 66 Cb 0.57 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hm2 h ALA 66 CO -0.47 -0.69 -0.34 0.82 0.00 0.00 0.00 179.25 178.56 3hm2 h ILE 67 N -0.61 0.27 -0.48 0.00 2.04 0.99 -0.09 117.51 119.63 3hm2 h ILE 67 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3hm2 h ILE 67 Cb 0.44 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.70 3hm2 h ILE 67 CO 0.08 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.85 3hm2 h ASN 68 N -0.49 -0.57 0.00 1.72 2.35 -1.41 1.10 115.58 118.28 3hm2 h ASN 68 Ca 0.06 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hm2 h ASN 68 Cb 0.58 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3hm2 h ASN 68 CO -0.28 -0.20 0.00 0.18 -1.65 0.00 0.00 177.43 175.49 3hm2 n LEU 69 N -5.38 0.00 -0.26 1.61 4.77 -0.14 -4.78 117.00 112.82 3hm2 n LEU 69 Ca 0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 3hm2 n LEU 69 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3hm2 n LEU 69 CO 0.10 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.74 3hm2 n GLY 70 N -0.15 0.47 0.61 -0.72 0.00 0.38 -4.77 105.19 101.00 3hm2 n GLY 70 Ca 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3hm2 n GLY 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hm2 n VAL 71 N -2.38 0.33 0.53 1.61 3.14 -1.05 -4.64 118.33 115.87 3hm2 n VAL 71 Ca -0.03 -0.66 0.07 0.00 -2.96 0.00 0.00 64.34 60.75 3hm2 n VAL 71 Cb 0.37 1.02 0.31 0.00 -1.06 0.00 0.00 33.84 34.49 3hm2 n VAL 71 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3hm2 n SER 72 N 0.73 0.00 0.08 6.55 3.41 -1.26 -2.04 113.62 121.10 3hm2 n SER 72 Ca 0.10 0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 3hm2 n SER 72 Cb 0.37 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3hm2 n SER 72 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hm2 h ASP 73 N 0.00 0.00 -0.82 4.04 5.19 -1.95 -3.33 116.42 119.54 3hm2 h ASP 73 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 3hm2 h ASP 73 Cb 0.21 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.41 3hm2 h ASP 73 CO 0.00 0.66 0.20 0.54 -3.12 0.00 0.00 179.24 177.52 3hm2 n ARG 74 N -3.15 2.77 -3.79 3.56 1.74 -0.87 -4.96 116.66 111.97 3hm2 n ARG 74 Ca -0.03 -3.50 -0.13 0.00 -0.77 0.00 0.00 57.85 53.42 3hm2 n ARG 74 Cb 0.83 -2.20 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 3hm2 n ARG 74 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hm2 s ILE 75 N -4.35 0.02 -0.02 0.55 2.07 -1.25 -2.90 121.20 115.32 3hm2 s ILE 75 Ca 0.57 -0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.68 3hm2 s ILE 75 Cb 0.46 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.61 3hm2 s ILE 75 CO 0.02 -0.10 -0.16 0.00 -1.91 0.00 0.00 174.94 172.79 3hm2 s ALA 76 N -0.32 2.63 -0.45 1.50 0.00 -1.04 -4.97 121.76 119.12 3hm2 s ALA 76 Ca -0.04 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.91 3hm2 s ALA 76 Cb -0.03 -0.89 0.12 0.00 0.00 0.00 0.00 23.12 22.32 3hm2 s ALA 76 CO 0.01 0.56 0.17 0.08 0.00 0.00 0.00 175.76 176.59 3hm2 s VAL 77 N -0.79 2.46 0.58 0.00 1.01 -1.26 -0.02 120.40 122.38 3hm2 s VAL 77 Ca 0.13 -2.92 0.09 0.00 0.00 0.00 0.00 61.98 59.27 3hm2 s VAL 77 Cb -0.11 -2.75 0.09 0.00 0.00 0.00 0.00 36.38 33.61 3hm2 s VAL 77 CO 0.02 -0.72 0.76 -1.10 0.00 0.00 0.00 175.10 174.07 3hm2 s GLN 78 N 0.20 2.25 0.00 2.72 -1.52 0.75 -4.96 119.66 119.10 3hm2 s GLN 78 Ca 0.15 -1.73 0.00 0.00 -1.95 0.00 0.00 55.36 51.82 3hm2 s GLN 78 Cb -0.23 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 3hm2 s GLN 78 CO -0.03 -0.89 0.00 1.04 -0.25 0.00 0.00 175.29 175.16 3hm2 n GLN 79 N -2.22 0.00 -1.46 2.91 1.13 -1.26 -2.86 117.38 113.63 3hm2 n GLN 79 Ca 0.14 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.87 3hm2 n GLN 79 Cb 0.62 0.00 0.08 0.00 0.11 0.00 0.00 30.24 31.06 3hm2 n GLN 79 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hm2 s GLY 80 N -2.48 2.13 0.61 1.08 0.00 -1.20 -2.68 107.32 104.77 3hm2 s GLY 80 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 44.72 45.23 3hm2 s GLY 80 CO 0.00 1.04 1.05 0.00 0.00 0.00 0.00 173.10 175.19 3hm2 s ALA 81 N -2.28 2.77 -1.52 3.20 0.00 -1.26 -2.14 121.76 120.52 3hm2 s ALA 81 Ca 0.69 0.30 0.23 0.00 0.00 0.00 0.00 51.96 53.19 3hm2 s ALA 81 Cb -0.24 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 19.79 3hm2 s ALA 81 CO 0.46 -0.83 1.15 -2.30 0.00 0.00 0.00 175.76 174.24 3hm2 n PRO 82 N -2.21 0.60 0.22 0.00 -0.02 -1.26 -4.85 135.00 127.49 3hm2 n PRO 82 Ca 0.08 -0.46 0.07 0.00 -2.02 0.00 0.00 63.50 61.17 3hm2 n PRO 82 Cb 0.53 -1.49 0.52 0.00 -0.02 0.00 0.00 33.50 33.04 3hm2 n PRO 82 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hm2 h ARG 83 N 1.13 0.00 0.00 -0.52 2.43 -1.95 -2.46 114.38 113.01 3hm2 h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hm2 h ARG 83 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3hm2 h ARG 83 CO 0.00 0.23 -0.35 0.00 -1.51 0.00 0.00 179.97 178.34 3hm2 h ALA 84 N 1.77 0.79 -0.91 2.80 0.00 -1.72 -2.63 119.26 119.37 3hm2 h ALA 84 Ca -0.00 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 3hm2 h ALA 84 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3hm2 h ALA 84 CO 0.03 0.00 0.63 0.74 0.00 0.00 0.00 179.25 180.65 3hm2 h PHE 85 N 0.00 0.26 0.00 0.00 0.04 -1.68 -0.74 116.94 114.82 3hm2 h PHE 85 Ca 0.00 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3hm2 h PHE 85 Cb 0.86 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3hm2 h PHE 85 CO 0.00 0.06 -0.44 0.22 -0.60 0.00 0.00 178.31 177.54 3hm2 h ASP 86 N 0.18 0.00 0.00 2.17 3.58 -1.64 -2.69 116.42 118.02 3hm2 h ASP 86 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3hm2 h ASP 86 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 3hm2 h ASP 86 CO -0.09 0.44 0.00 0.47 -2.88 0.00 0.00 179.24 177.18 3hm2 n ASP 87 N -3.72 0.00 -3.49 2.28 8.00 -0.29 -4.43 116.55 114.90 3hm2 n ASP 87 Ca -0.01 -1.17 -0.29 0.00 0.71 0.00 0.00 54.79 54.03 3hm2 n ASP 87 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 3hm2 n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hm2 s VAL 88 N -2.00 0.14 0.33 2.53 1.01 -1.01 -5.04 120.40 116.36 3hm2 s VAL 88 Ca 0.16 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.66 3hm2 s VAL 88 Cb 0.08 -1.12 0.27 0.00 0.00 0.00 0.00 36.38 35.60 3hm2 s VAL 88 CO 0.13 -0.92 1.99 1.55 0.00 0.00 0.00 175.10 177.85 3hm2 h PRO 89 N 7.37 0.90 0.00 2.72 0.13 -1.78 -3.45 132.00 137.89 3hm2 h PRO 89 Ca -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3hm2 h PRO 89 Cb 0.98 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3hm2 h PRO 89 CO 0.32 0.60 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 3hm2 n ASP 90 N -4.44 -0.04 -3.83 1.44 9.92 -1.26 -5.11 116.55 113.23 3hm2 n ASP 90 Ca 0.08 -0.52 -0.17 0.00 -0.53 0.00 0.00 54.79 53.66 3hm2 n ASP 90 Cb 0.07 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.39 3hm2 n ASP 90 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3hm2 s ASN 91 N -1.04 0.45 0.64 -2.24 0.02 -1.26 -5.09 114.94 106.42 3hm2 s ASN 91 Ca 0.00 -0.04 -0.16 0.00 -1.02 0.00 0.00 52.86 51.65 3hm2 s ASN 91 Cb 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 41.25 41.03 3hm2 s ASN 91 CO 0.00 -0.09 1.11 -2.16 0.02 0.00 0.00 177.10 175.99 3hm2 s PRO 92 N 0.93 2.88 0.40 -0.60 0.05 -1.26 -4.90 135.00 132.50 3hm2 s PRO 92 Ca -0.10 1.42 0.27 0.00 0.05 0.00 0.00 61.00 62.64 3hm2 s PRO 92 Cb -0.13 -1.96 0.79 0.00 0.05 0.00 0.00 34.50 33.25 3hm2 s PRO 92 CO -0.01 -1.19 1.76 -0.44 0.05 0.00 0.00 177.00 177.16 3hm2 h ASP 93 N 0.19 0.00 -5.05 6.66 5.19 -1.10 -3.43 116.42 118.89 3hm2 h ASP 93 Ca -0.47 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 3hm2 h ASP 93 Cb 1.25 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.59 3hm2 h ASP 93 CO 0.54 0.00 -0.16 -0.69 -3.12 0.00 0.00 179.24 175.81 3hm2 s VAL 94 N -3.32 0.07 -0.02 -1.35 1.01 -0.17 -3.27 120.40 113.34 3hm2 s VAL 94 Ca 0.06 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hm2 s VAL 94 Cb 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3hm2 s VAL 94 CO 0.59 -0.31 -0.07 -0.63 0.00 0.00 0.00 175.10 174.68 3hm2 s ILE 95 N -2.58 0.62 -0.11 2.22 1.01 0.51 -0.26 121.20 122.60 3hm2 s ILE 95 Ca -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.35 3hm2 s ILE 95 Cb -0.01 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 3hm2 s ILE 95 CO -0.03 0.20 -0.20 0.12 0.00 0.00 0.00 174.94 175.02 3hm2 s PHE 96 N 0.17 2.65 -0.32 3.97 5.36 -0.50 0.49 117.98 129.79 3hm2 s PHE 96 Ca -0.02 -0.94 -0.10 0.00 -0.96 0.00 0.00 56.93 54.92 3hm2 s PHE 96 Cb -0.07 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 3hm2 s PHE 96 CO 0.00 -0.37 0.16 0.42 -1.46 0.00 0.00 175.22 173.97 3hm2 s ILE 97 N 0.38 4.50 -0.10 3.12 1.01 0.88 -2.09 121.20 128.90 3hm2 s ILE 97 Ca -0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3hm2 s ILE 97 Cb -0.17 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 3hm2 s ILE 97 CO 0.07 -0.01 -0.07 1.23 0.00 0.00 0.00 174.94 176.16 3hm2 h GLY 98 N 8.35 0.00 -4.22 6.18 0.00 -1.76 -0.12 103.07 111.51 3hm2 h GLY 98 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3hm2 h GLY 98 CO 0.63 0.00 -0.41 -0.32 0.00 0.00 0.00 176.54 176.44 3hm2 s GLY 99 N -3.60 0.02 -0.99 4.60 0.00 -1.26 -4.14 107.32 101.95 3hm2 s GLY 99 Ca -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 3hm2 s GLY 99 CO 0.09 -0.35 0.80 0.61 0.00 0.00 0.00 173.10 174.24 3hm2 n GLY 100 N 0.95 -1.14 1.88 0.20 0.00 -1.26 -4.02 105.19 101.80 3hm2 n GLY 100 Ca -0.20 0.52 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 3hm2 n GLY 100 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3hm2 n LEU 101 N -3.15 6.01 -2.46 0.99 -0.00 -1.26 -4.42 117.00 112.71 3hm2 n LEU 101 Ca -0.08 -3.16 -0.28 0.00 -0.00 0.00 0.00 56.01 52.48 3hm2 n LEU 101 Cb 0.59 -0.86 0.01 0.00 -0.00 0.00 0.00 43.42 43.16 3hm2 n LEU 101 CO 0.61 1.05 0.36 0.35 -0.00 0.00 0.00 177.39 179.75 3hm2 n THR 102 N -0.30 2.55 -5.24 1.47 -2.24 -1.26 -4.91 114.28 104.35 3hm2 n THR 102 Ca 0.38 -4.74 -0.32 0.00 -2.27 0.00 0.00 64.05 57.11 3hm2 n THR 102 Cb 0.95 -1.25 -0.17 0.00 -2.10 0.00 0.00 70.33 67.77 3hm2 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hm2 s ALA 103 N -3.61 2.18 0.02 6.98 0.00 -1.26 -5.08 121.76 120.98 3hm2 s ALA 103 Ca 0.49 -1.01 -0.33 0.00 0.00 0.00 0.00 51.96 51.11 3hm2 s ALA 103 Cb 0.41 -0.75 -0.12 0.00 0.00 0.00 0.00 23.12 22.67 3hm2 s ALA 103 CO -0.18 0.36 1.83 -2.30 0.00 0.00 0.00 175.76 175.47 3hm2 n PRO 104 N 3.22 2.40 -0.37 0.00 -0.02 -1.26 -2.39 135.00 136.58 3hm2 n PRO 104 Ca -0.18 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hm2 n PRO 104 Cb 0.52 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3hm2 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hm2 n GLY 105 N 4.21 1.51 0.23 -1.23 0.00 -1.26 -4.92 105.19 103.74 3hm2 n GLY 105 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 3hm2 n GLY 105 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hm2 h VAL 106 N 0.00 1.29 -0.04 1.61 2.07 -1.86 -0.23 116.25 119.08 3hm2 h VAL 106 Ca 0.00 -1.48 -0.14 0.00 0.82 0.00 0.00 66.70 65.90 3hm2 h VAL 106 Cb 0.00 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hm2 h VAL 106 CO 0.00 0.47 -0.51 0.15 0.02 0.00 0.00 177.57 177.69 3hm2 h PHE 107 N 0.44 0.60 -0.22 1.57 3.57 -1.91 -3.01 116.94 117.98 3hm2 h PHE 107 Ca 0.05 -0.30 0.06 0.00 3.53 0.00 0.00 57.97 61.31 3hm2 h PHE 107 Cb 0.83 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 3hm2 h PHE 107 CO 0.03 1.09 -0.34 0.00 -2.23 0.00 0.00 178.31 176.86 3hm2 h ALA 108 N 0.38 -0.34 -0.23 2.41 0.00 -1.90 0.33 119.26 119.91 3hm2 h ALA 108 Ca -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hm2 h ALA 108 Cb 1.20 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3hm2 h ALA 108 CO 0.10 -0.79 0.04 0.00 0.00 0.00 0.00 179.25 178.60 3hm2 h ALA 109 N 0.49 1.65 0.10 0.00 0.00 -1.18 -2.90 119.26 117.43 3hm2 h ALA 109 Ca 0.12 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3hm2 h ALA 109 Cb 0.55 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hm2 h ALA 109 CO -0.42 0.27 -0.81 0.00 0.00 0.00 0.00 179.25 178.29 3hm2 h ALA 110 N 1.73 -0.00 -0.84 0.00 0.00 -1.11 -3.26 119.26 115.78 3hm2 h ALA 110 Ca 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.24 3hm2 h ALA 110 Cb 0.15 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hm2 h ALA 110 CO -0.00 0.41 0.55 2.35 0.00 0.00 0.00 179.25 182.56 3hm2 h TRP 111 N -0.51 1.03 -0.94 0.00 2.91 -0.36 0.66 115.95 118.74 3hm2 h TRP 111 Ca -0.16 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.01 3hm2 h TRP 111 Cb 1.53 -0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.76 3hm2 h TRP 111 CO 0.19 0.63 0.60 -0.22 -1.03 0.00 0.00 178.44 178.61 3hm2 h LYS 112 N 1.09 0.85 0.00 2.65 3.64 -1.65 0.78 116.57 123.94 3hm2 h LYS 112 Ca 0.32 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3hm2 h LYS 112 Cb -0.07 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3hm2 h LYS 112 CO -0.09 0.57 -0.04 0.00 -2.27 0.00 0.00 179.45 177.62 3hm2 h ARG 113 N 0.88 0.00 -5.77 1.90 2.47 -0.92 -3.42 114.38 109.51 3hm2 h ARG 113 Ca 0.46 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.60 3hm2 h ARG 113 Cb 0.53 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.77 3hm2 h ARG 113 CO -0.22 0.04 0.03 -1.17 0.56 0.00 0.00 179.97 179.20 3hm2 s LEU 114 N -6.31 4.23 0.73 3.04 2.96 0.27 -4.41 118.68 119.18 3hm2 s LEU 114 Ca 0.01 0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 54.70 3hm2 s LEU 114 Cb 0.09 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.94 3hm2 s LEU 114 CO 0.56 -0.15 1.11 -2.16 -1.32 0.00 0.00 176.35 174.39 3hm2 s PRO 115 N 1.25 2.41 0.36 0.98 0.04 -1.26 -4.96 135.00 133.82 3hm2 s PRO 115 Ca 0.30 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 3hm2 s PRO 115 Cb -0.16 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3hm2 s PRO 115 CO 0.12 -1.55 1.44 0.28 0.04 0.00 0.00 177.00 177.33 3hm2 n VAL 116 N -3.00 1.96 0.00 -0.36 0.31 -1.25 -2.25 118.33 113.73 3hm2 n VAL 116 Ca 0.10 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3hm2 n VAL 116 Cb 0.52 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3hm2 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hm2 n GLY 117 N 0.61 2.65 2.68 2.92 0.00 1.15 -4.93 105.19 110.27 3hm2 n GLY 117 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3hm2 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 118 N -2.00 -2.56 2.80 -0.02 0.00 -0.95 -4.69 105.19 97.77 3hm2 n GLY 118 Ca 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 3hm2 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hm2 s ARG 119 N -4.91 0.27 -0.03 1.61 0.52 -1.20 -1.70 118.95 113.51 3hm2 s ARG 119 Ca 0.54 0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.91 3hm2 s ARG 119 Cb -0.05 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.92 3hm2 s ARG 119 CO 0.41 -0.16 -0.20 -1.17 0.02 0.00 0.00 175.30 174.20 3hm2 s LEU 120 N 1.14 2.01 -0.06 2.53 0.20 -1.06 0.19 118.68 123.62 3hm2 s LEU 120 Ca -0.08 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.36 3hm2 s LEU 120 Cb -0.13 -1.09 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 3hm2 s LEU 120 CO -0.02 0.22 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.48 3hm2 s VAL 121 N -0.28 0.91 0.33 1.68 1.01 0.18 -1.76 120.40 122.47 3hm2 s VAL 121 Ca 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3hm2 s VAL 121 Cb -0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 3hm2 s VAL 121 CO 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 175.10 175.33 3hm2 s ALA 122 N 0.89 2.84 0.31 5.51 0.00 -0.71 -0.09 121.76 130.51 3hm2 s ALA 122 Ca -0.11 -2.05 0.10 0.00 0.00 0.00 0.00 51.96 49.90 3hm2 s ALA 122 Cb -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 3hm2 s ALA 122 CO 0.01 0.07 -0.14 -0.80 0.00 0.00 0.00 175.76 174.90 3hm2 s ASN 123 N -3.57 3.54 -0.11 0.00 0.02 -0.06 -1.80 114.94 112.95 3hm2 s ASN 123 Ca 0.32 -1.12 -0.25 0.00 -1.02 0.00 0.00 52.86 50.78 3hm2 s ASN 123 Cb 0.02 -0.30 0.06 0.00 0.02 0.00 0.00 41.25 41.05 3hm2 s ASN 123 CO 0.16 -0.12 0.61 0.00 0.02 0.00 0.00 177.10 177.77 3hm2 s ALA 124 N -2.62 -1.55 0.00 0.60 0.00 0.24 -4.79 121.76 113.64 3hm2 s ALA 124 Ca 0.31 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3hm2 s ALA 124 Cb -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3hm2 s ALA 124 CO 0.15 -0.33 0.00 1.55 0.00 0.00 0.00 175.76 177.13 3hm2 n VAL 125 N 1.60 0.00 -4.00 0.00 3.14 -1.26 -0.28 118.33 117.53 3hm2 n VAL 125 Ca -0.18 -0.12 -0.21 0.00 -2.96 0.00 0.00 64.34 60.87 3hm2 n VAL 125 Cb 0.56 0.61 -0.03 0.00 -1.06 0.00 0.00 33.84 33.92 3hm2 n VAL 125 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3hm2 s THR 126 N -0.76 4.81 0.42 1.55 -4.23 -1.26 -4.88 115.64 111.28 3hm2 s THR 126 Ca 0.00 -1.18 0.30 0.00 -1.18 0.00 0.00 61.69 59.63 3hm2 s THR 126 Cb 0.00 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.54 3hm2 s THR 126 CO 0.00 -0.33 2.10 0.58 -0.54 0.00 0.00 174.62 176.44 3hm2 h VAL 127 N 1.30 0.44 0.03 2.29 2.07 -1.97 -0.00 116.25 120.40 3hm2 h VAL 127 Ca -0.50 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3hm2 h VAL 127 Cb 1.24 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3hm2 h VAL 127 CO 0.60 0.09 -0.01 -0.33 0.02 0.00 0.00 177.57 177.94 3hm2 h GLU 128 N 0.00 -0.04 -0.69 1.57 3.07 -1.98 0.36 114.58 116.87 3hm2 h GLU 128 Ca -0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3hm2 h GLU 128 Cb 0.30 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.17 3hm2 h GLU 128 CO 0.01 0.65 0.41 0.77 -1.40 0.00 0.00 179.01 179.45 3hm2 h SER 129 N -0.91 0.64 0.33 1.42 0.02 -1.92 -3.18 113.55 109.94 3hm2 h SER 129 Ca -0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3hm2 h SER 129 Cb 0.71 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3hm2 h SER 129 CO 0.01 0.42 -0.36 -0.08 -1.14 0.00 0.00 176.83 175.68 3hm2 h GLU 130 N 0.77 -0.67 -1.07 3.45 4.81 -0.97 0.53 114.58 121.43 3hm2 h GLU 130 Ca 0.30 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3hm2 h GLU 130 Cb 0.12 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hm2 h GLU 130 CO -0.15 -0.44 0.00 1.04 -0.73 0.00 0.00 179.01 178.73 3hm2 n GLN 131 N -4.55 0.00 0.00 1.92 6.02 0.13 -2.69 117.38 118.21 3hm2 n GLN 131 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3hm2 n GLN 131 Cb 0.32 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3hm2 n GLN 131 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hm2 n LEU 133 N 0.65 0.00 -0.15 1.08 4.77 0.19 -0.83 117.00 122.71 3hm2 n LEU 133 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3hm2 n LEU 133 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3hm2 n LEU 133 CO 0.00 0.00 0.78 -0.50 -1.33 0.00 0.00 177.39 176.34 3hm2 h TRP 134 N 0.00 0.82 -0.04 -1.77 4.06 -1.76 1.27 115.95 118.53 3hm2 h TRP 134 Ca 0.00 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.82 3hm2 h TRP 134 Cb 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 3hm2 h TRP 134 CO 0.00 0.82 -0.35 0.00 -3.56 0.00 0.00 178.44 175.35 3hm2 h ALA 135 N 0.89 -0.77 0.13 1.49 0.00 -1.25 0.78 119.26 120.54 3hm2 h ALA 135 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hm2 h ALA 135 Cb 0.50 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3hm2 h ALA 135 CO 0.02 -0.88 -0.24 -0.07 0.00 0.00 0.00 179.25 178.09 3hm2 h LEU 136 N -0.41 -0.66 -0.79 0.00 3.38 -1.77 -2.72 115.31 112.34 3hm2 h LEU 136 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hm2 h LEU 136 Cb 0.46 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3hm2 h LEU 136 CO -0.25 -0.33 0.47 -0.09 0.09 0.00 0.00 178.44 178.33 3hm2 h ARG 137 N -0.44 1.08 0.00 1.13 1.12 0.17 0.35 114.38 117.78 3hm2 h ARG 137 Ca 0.02 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 3hm2 h ARG 137 Cb 0.46 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 3hm2 h ARG 137 CO -0.12 0.77 0.00 1.17 -3.11 0.00 0.00 179.97 178.68 3hm2 n LYS 138 N -4.46 0.17 -0.10 0.20 4.81 0.26 -1.35 118.16 117.70 3hm2 n LYS 138 Ca 0.08 0.16 -0.20 0.00 -0.87 0.00 0.00 58.31 57.49 3hm2 n LYS 138 Cb 0.06 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 3hm2 n LYS 138 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3hm2 n GLN 139 N -1.32 0.42 0.00 1.64 7.27 0.93 -4.74 117.38 121.58 3hm2 n GLN 139 Ca 0.06 0.17 0.12 0.00 0.07 0.00 0.00 57.00 57.42 3hm2 n GLN 139 Cb 0.13 -1.22 0.14 0.00 2.41 0.00 0.00 30.24 31.70 3hm2 n GLN 139 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3hm2 n PHE 140 N -3.74 0.00 -1.27 3.69 3.72 0.46 -5.08 117.46 115.24 3hm2 n PHE 140 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3hm2 n PHE 140 Cb 0.78 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3hm2 n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hm2 n GLY 141 N 1.37 -1.44 7.00 1.37 0.00 -0.45 -4.91 105.19 108.13 3hm2 n GLY 141 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3hm2 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 142 N 0.00 -0.34 3.62 -0.02 0.00 -1.26 -4.54 105.19 102.64 3hm2 n GLY 142 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 3hm2 n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm2 s THR 143 N 0.00 0.00 -0.11 2.61 2.01 -0.72 -5.01 115.64 114.42 3hm2 s THR 143 Ca 0.00 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3hm2 s THR 143 Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 3hm2 s THR 143 CO 0.00 -0.00 0.04 -0.63 -0.69 0.00 0.00 174.62 173.34 3hm2 s ILE 144 N 0.35 4.62 0.12 1.82 1.01 -1.26 -1.09 121.20 126.77 3hm2 s ILE 144 Ca -0.00 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3hm2 s ILE 144 Cb -0.05 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3hm2 s ILE 144 CO 0.01 0.59 -0.14 -0.44 0.00 0.00 0.00 174.94 174.96 3hm2 s SER 145 N -0.71 1.97 0.02 3.58 0.01 0.13 -5.00 113.70 113.70 3hm2 s SER 145 Ca 0.12 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.59 3hm2 s SER 145 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3hm2 s SER 145 CO 0.02 -0.14 -0.05 -0.94 0.41 0.00 0.00 173.24 172.55 3hm2 s SER 146 N -2.40 0.47 -0.17 2.44 1.04 -1.26 0.14 113.70 113.96 3hm2 s SER 146 Ca 0.08 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3hm2 s SER 146 Cb -0.05 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3hm2 s SER 146 CO 0.03 -0.18 -0.08 -0.36 0.98 0.00 0.00 173.24 173.63 3hm2 s PHE 147 N -1.05 1.94 -0.39 5.02 0.08 0.20 -4.96 117.98 118.82 3hm2 s PHE 147 Ca -0.09 -1.21 -0.11 0.00 0.12 0.00 0.00 56.93 55.64 3hm2 s PHE 147 Cb -0.08 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3hm2 s PHE 147 CO -0.00 -0.65 0.24 0.00 -0.10 0.00 0.00 175.22 174.71 3hm2 s ALA 148 N 1.56 3.31 0.13 5.36 0.00 -1.26 -1.26 121.76 129.60 3hm2 s ALA 148 Ca 0.01 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.18 3hm2 s ALA 148 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 3hm2 s ALA 148 CO -0.08 -1.48 0.09 0.42 0.00 0.00 0.00 175.76 174.71 3hm2 s ILE 149 N 1.54 4.35 0.26 0.00 1.01 -1.26 -5.07 121.20 122.03 3hm2 s ILE 149 Ca 0.02 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.68 3hm2 s ILE 149 Cb -0.20 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3hm2 s ILE 149 CO 0.06 -0.01 0.17 -0.94 0.00 0.00 0.00 174.94 174.22 3hm2 s SER 150 N -2.77 0.94 0.10 3.58 1.04 -1.26 -2.85 113.70 112.48 3hm2 s SER 150 Ca 0.29 -1.51 -0.09 0.00 0.48 0.00 0.00 55.95 55.12 3hm2 s SER 150 Cb -0.11 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 3hm2 s SER 150 CO 0.22 -0.89 0.21 -1.00 0.98 0.00 0.00 173.24 172.76 3hm2 s HIS 151 N -3.82 0.19 0.65 5.02 3.76 -0.58 -4.99 115.29 115.52 3hm2 s HIS 151 Ca 0.38 -0.61 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 3hm2 s HIS 151 Cb 0.06 -0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.67 3hm2 s HIS 151 CO 0.17 -0.58 1.14 -0.85 -0.85 0.00 0.00 174.74 173.77 3hm2 n GLU 152 N -0.09 0.92 -3.58 1.40 0.28 -1.26 -1.48 120.64 116.84 3hm2 n GLU 152 Ca -0.14 0.37 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 3hm2 n GLU 152 Cb 0.63 -2.37 -0.05 0.00 1.43 0.00 0.00 31.44 31.08 3hm2 n GLU 152 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3hm2 s HIS 153 N -1.51 -0.33 0.00 -1.84 2.46 0.27 -4.74 115.29 109.60 3hm2 s HIS 153 Ca 0.79 0.55 0.00 0.00 0.47 0.00 0.00 55.06 56.87 3hm2 s HIS 153 Cb -0.38 0.46 0.00 0.00 -0.13 0.00 0.00 32.58 32.53 3hm2 s HIS 153 CO 0.44 -0.32 0.00 0.41 -2.47 0.00 0.00 174.74 172.79 3hm2 n GLY 156 N 0.64 0.77 1.23 1.59 0.00 -1.26 -0.26 105.19 107.90 3hm2 n GLY 156 Ca -0.09 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.32 3hm2 n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hm2 n SER 157 N -3.96 3.58 -4.33 1.61 3.41 -1.26 -4.84 113.62 107.82 3hm2 n SER 157 Ca 0.00 -2.38 -0.26 0.00 -0.26 0.00 0.00 58.87 55.97 3hm2 n SER 157 Cb 0.00 -0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.31 3hm2 n SER 157 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hm2 s PHE 158 N -1.86 2.01 0.16 7.33 0.08 -1.26 -5.15 117.98 119.29 3hm2 s PHE 158 Ca 0.35 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.04 3hm2 s PHE 158 Cb 0.24 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3hm2 s PHE 158 CO 0.15 0.28 0.13 0.42 -0.10 0.00 0.00 175.22 176.10 3hm2 s ILE 159 N -1.22 4.49 0.00 0.64 -1.09 -1.26 -4.98 121.20 117.78 3hm2 s ILE 159 Ca 0.11 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 3hm2 s ILE 159 Cb -0.10 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 3hm2 s ILE 159 CO 0.05 -0.09 0.00 0.35 -1.23 0.00 0.00 174.94 174.03 3hm2 n THR 160 N -0.28 0.00 -3.64 2.92 -2.24 0.64 -4.93 114.28 106.76 3hm2 n THR 160 Ca -0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3hm2 n THR 160 Cb 0.54 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3hm2 n THR 160 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hm2 s LYS 162 N 2.89 0.66 -0.07 -0.78 1.02 -0.55 -0.57 119.74 122.34 3hm2 s LYS 162 Ca 0.00 1.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.87 3hm2 s LYS 162 Cb 0.00 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 3hm2 s LYS 162 CO 0.00 -0.12 0.33 -2.14 -0.92 0.00 0.00 175.35 172.50 3hm2 s PRO 163 N 1.15 3.94 0.84 -1.68 0.02 -1.26 -1.52 135.00 136.49 3hm2 s PRO 163 Ca -0.06 0.22 -0.07 0.00 0.02 0.00 0.00 61.00 61.11 3hm2 s PRO 163 Cb -0.05 -3.28 0.17 0.00 0.02 0.00 0.00 34.50 31.36 3hm2 s PRO 163 CO -0.13 0.55 1.16 0.00 -0.33 0.00 0.00 177.00 178.25 3hm2 s ALA 164 N -0.54 3.05 0.45 -1.55 0.00 -1.13 -5.02 121.76 117.02 3hm2 s ALA 164 Ca 0.20 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 3hm2 s ALA 164 Cb -0.15 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.59 3hm2 s ALA 164 CO 0.09 -1.97 1.25 -0.51 0.00 0.00 0.00 175.76 174.61 3hm2 s LEU 165 N -5.50 4.07 0.14 0.00 1.43 -1.26 -4.79 118.68 112.77 3hm2 s LEU 165 Ca 0.71 2.51 -0.30 0.00 -1.03 0.00 0.00 54.13 56.02 3hm2 s LEU 165 Cb -0.04 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 3hm2 s LEU 165 CO 0.49 -0.98 1.27 -2.84 0.23 0.00 0.00 176.35 174.51 3hm2 s PRO 166 N -2.53 4.41 -0.17 1.29 0.02 -1.26 -4.79 135.00 131.97 3hm2 s PRO 166 Ca 0.62 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 63.49 3hm2 s PRO 166 Cb -0.34 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 3hm2 s PRO 166 CO 0.42 -0.25 0.08 0.08 -0.33 0.00 0.00 177.00 177.00 3hm2 s VAL 167 N 0.57 5.00 -0.07 3.83 1.01 -0.39 -4.60 120.40 125.74 3hm2 s VAL 167 Ca 0.58 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.60 3hm2 s VAL 167 Cb -0.34 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3hm2 s VAL 167 CO 0.33 0.49 -0.07 -1.00 0.00 0.00 0.00 175.10 174.85 3hm2 s HIS 168 N 0.10 2.95 -0.02 5.22 3.76 0.62 0.60 115.29 128.51 3hm2 s HIS 168 Ca 0.06 0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.99 3hm2 s HIS 168 Cb -0.12 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.87 3hm2 s HIS 168 CO 0.00 0.31 -0.02 -1.14 -0.85 0.00 0.00 174.74 173.05 3hm2 s GLN 169 N -0.75 0.39 -0.21 1.40 0.74 0.38 -0.59 119.66 121.02 3hm2 s GLN 169 Ca 0.11 -0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.48 3hm2 s GLN 169 Cb -0.11 -0.49 -0.00 0.00 1.10 0.00 0.00 33.01 33.50 3hm2 s GLN 169 CO 0.02 -0.07 -0.07 -0.46 -0.55 0.00 0.00 175.29 174.16 3hm2 s TRP 170 N 0.70 2.93 -0.23 1.67 -0.00 -0.75 0.21 118.94 123.47 3hm2 s TRP 170 Ca -0.07 -1.02 -0.04 0.00 -0.00 0.00 0.00 56.10 54.96 3hm2 s TRP 170 Cb -0.11 -2.07 -0.00 0.00 -0.00 0.00 0.00 33.47 31.29 3hm2 s TRP 170 CO -0.01 -0.57 -0.04 0.99 -0.00 0.00 0.00 176.95 177.32 3hm2 s THR 171 N 1.40 3.35 0.02 5.86 2.01 -0.25 -1.75 115.64 126.29 3hm2 s THR 171 Ca 0.05 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.51 3hm2 s THR 171 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3hm2 s THR 171 CO -0.04 0.38 -0.07 0.54 -0.69 0.00 0.00 174.62 174.74 3hm2 s VAL 172 N 1.46 0.51 -0.40 3.82 0.11 -0.72 -1.76 120.40 123.42 3hm2 s VAL 172 Ca 0.05 -0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 3hm2 s VAL 172 Cb -0.15 -0.50 0.07 0.00 -1.53 0.00 0.00 36.38 34.27 3hm2 s VAL 172 CO -0.03 -0.12 0.22 -0.69 -3.33 0.00 0.00 175.10 171.15 3hm2 s VAL 173 N -0.75 4.14 -0.83 2.04 1.01 -1.26 -2.56 120.40 122.19 3hm2 s VAL 173 Ca -0.04 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.37 3hm2 s VAL 173 Cb -0.06 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3hm2 s VAL 173 CO 0.00 -0.43 1.90 -0.75 0.00 0.00 0.00 175.10 175.82 3hm2 s LYS 174 N 1.42 2.62 0.00 2.72 2.20 -0.69 -4.85 119.74 123.17 3hm2 s LYS 174 Ca 0.02 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3hm2 s LYS 174 Cb -0.22 -4.89 0.00 0.00 -1.51 0.00 0.00 37.83 31.21 3hm2 s LYS 174 CO 0.02 -3.16 0.08 0.00 -0.36 0.00 0.00 175.35 171.94