#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm2 n GLN 4 N 0.00 0.15 0.05 1.61 3.00 -1.26 -3.39 117.38 117.53 3hm2 n GLN 4 Ca 0.00 0.19 -0.04 0.00 -0.01 0.00 0.00 57.00 57.15 3hm2 n GLN 4 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 3hm2 n GLN 4 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3hm2 h LEU 5 N 0.00 -0.29 -0.98 1.08 3.38 -2.06 -1.83 115.31 114.61 3hm2 h LEU 5 Ca 0.00 0.03 0.40 0.00 0.09 0.00 0.00 57.88 58.39 3hm2 h LEU 5 Cb 0.12 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.81 3hm2 h LEU 5 CO 0.00 -0.13 0.55 0.41 0.09 0.00 0.00 178.44 179.36 3hm2 n THR 6 N -2.95 -0.36 0.12 0.22 -1.04 -1.22 -0.53 114.28 108.52 3hm2 n THR 6 Ca -0.02 1.84 -0.00 0.00 -2.04 0.00 0.00 64.05 63.83 3hm2 n THR 6 Cb 0.09 -3.00 0.05 0.00 -1.82 0.00 0.00 70.33 65.65 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 0.00 0.00 -2.82 1.57 -1.57 -2.72 116.57 111.04 3hm2 h LYS 7 Ca 0.79 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.42 3hm2 h LYS 7 Cb 2.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.45 3hm2 h LYS 7 CO -0.67 0.64 -0.75 0.37 -0.57 0.00 0.00 179.45 178.47 3hm2 h GLN 8 N 0.00 0.00 -0.02 3.15 4.15 -0.02 -3.03 115.11 119.34 3hm2 h GLN 8 Ca -0.01 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 3hm2 h GLN 8 Cb 1.39 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 3hm2 h GLN 8 CO 0.08 0.63 -0.81 0.45 -1.93 0.00 0.00 178.83 177.26 3hm2 h HIS 9 N 0.00 0.35 -0.04 3.99 3.86 -1.26 -1.68 115.15 120.38 3hm2 h HIS 9 Ca -0.02 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 3hm2 h HIS 9 Cb 1.53 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.95 3hm2 h HIS 9 CO 0.00 0.95 -0.00 0.28 0.86 0.00 0.00 177.93 180.02 3hm2 h VAL 10 N 0.15 1.25 -0.30 2.45 2.07 -1.55 -3.07 116.25 117.25 3hm2 h VAL 10 Ca -0.04 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.76 3hm2 h VAL 10 Cb 1.41 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 3hm2 h VAL 10 CO 0.13 0.20 0.06 -0.09 0.02 0.00 0.00 177.57 177.89 3hm2 h ARG 11 N -0.23 0.17 -0.88 1.57 2.43 -1.47 -1.06 114.38 114.91 3hm2 h ARG 11 Ca 0.01 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 3hm2 h ARG 11 Cb 0.33 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 3hm2 h ARG 11 CO 0.00 0.11 0.57 0.00 -1.51 0.00 0.00 179.97 179.14 3hm2 h ALA 12 N 1.22 1.77 -0.20 2.80 0.00 -1.38 -1.27 119.26 122.20 3hm2 h ALA 12 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3hm2 h ALA 12 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hm2 h ALA 12 CO -0.18 0.01 -0.53 -0.07 0.00 0.00 0.00 179.25 178.48 3hm2 h LEU 13 N 0.75 0.64 0.21 0.00 3.38 -1.14 -2.62 115.31 116.53 3hm2 h LEU 13 Ca 0.43 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hm2 h LEU 13 Cb 0.61 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hm2 h LEU 13 CO -0.20 1.05 -0.10 0.00 0.09 0.00 0.00 178.44 179.28 3hm2 h ALA 14 N 0.96 -0.29 -0.05 1.53 0.00 -0.18 -2.00 119.26 119.23 3hm2 h ALA 14 Ca 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hm2 h ALA 14 Cb 1.07 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hm2 h ALA 14 CO 0.10 -0.56 -0.33 0.82 0.00 0.00 0.00 179.25 179.28 3hm2 h ILE 15 N -0.48 1.26 0.19 0.00 1.08 -1.33 -1.93 117.51 116.30 3hm2 h ILE 15 Ca -0.03 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 3hm2 h ILE 15 Cb 0.36 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3hm2 h ILE 15 CO 0.05 0.36 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.49 3hm2 h SER 16 N 0.09 -0.22 -0.97 1.72 0.87 -1.48 -2.24 113.55 111.32 3hm2 h SER 16 Ca 0.01 -0.06 0.18 0.00 -1.23 0.00 0.00 61.79 60.70 3hm2 h SER 16 Cb 0.63 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.56 3hm2 h SER 16 CO 0.05 -0.08 0.61 0.00 -0.53 0.00 0.00 176.83 176.87 3hm2 h ALA 17 N 0.46 1.85 0.00 6.23 0.00 -0.94 -2.54 119.26 124.32 3hm2 h ALA 17 Ca -0.03 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3hm2 h ALA 17 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hm2 h ALA 17 CO 0.04 -0.17 -0.58 -0.07 0.00 0.00 0.00 179.25 178.47 3hm2 h LEU 18 N 0.67 0.00 -2.70 0.00 3.38 -1.06 -3.48 115.31 112.12 3hm2 h LEU 18 Ca 0.53 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.15 3hm2 h LEU 18 Cb 0.94 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.83 3hm2 h LEU 18 CO -0.29 0.58 -0.89 0.00 0.09 0.00 0.00 178.44 177.93 3hm2 n ALA 19 N -2.27 -2.46 -1.61 1.53 0.00 -0.87 -4.79 120.51 110.04 3hm2 n ALA 19 Ca 0.01 -0.06 -0.50 0.00 0.00 0.00 0.00 53.44 52.90 3hm2 n ALA 19 Cb 0.73 -4.66 -0.05 0.00 0.00 0.00 0.00 19.45 15.46 3hm2 n ALA 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hm2 n PRO 20 N -3.76 1.41 -3.93 0.00 -0.02 -1.26 -5.02 135.00 122.42 3hm2 n PRO 20 Ca -0.11 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 3hm2 n PRO 20 Cb 0.61 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3hm2 n PRO 20 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hm2 s LYS 21 N 0.32 2.93 0.37 -0.52 1.02 -1.26 -5.06 119.74 117.54 3hm2 s LYS 21 Ca 0.80 -1.11 0.22 0.00 0.02 0.00 0.00 55.97 55.90 3hm2 s LYS 21 Cb -0.86 -2.59 0.23 0.00 -0.52 0.00 0.00 37.83 34.09 3hm2 s LYS 21 CO 0.46 0.26 1.47 -1.00 -0.92 0.00 0.00 175.35 175.62 3hm2 h PRO 22 N 1.31 0.00 0.00 -1.68 0.13 -1.88 -3.16 132.00 126.72 3hm2 h PRO 22 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hm2 h PRO 22 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hm2 h PRO 22 CO 0.59 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.15 3hm2 n HIS 23 N -3.04 0.00 -4.41 1.56 8.25 -1.26 -3.17 115.22 113.15 3hm2 n HIS 23 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 3hm2 n HIS 23 Cb 0.57 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 3hm2 n HIS 23 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hm2 s GLU 24 N -2.19 1.70 -0.07 -0.41 2.02 -1.20 -5.01 118.70 113.55 3hm2 s GLU 24 Ca 0.36 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.85 3hm2 s GLU 24 Cb 0.19 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3hm2 s GLU 24 CO 0.35 0.39 -0.17 -0.08 0.02 0.00 0.00 175.26 175.77 3hm2 s THR 25 N -1.92 1.48 0.08 3.63 -1.32 -1.26 -3.47 115.64 112.85 3hm2 s THR 25 Ca 0.24 -0.70 -0.13 0.00 -1.21 0.00 0.00 61.69 59.90 3hm2 s THR 25 Cb -0.07 -1.30 -0.06 0.00 -1.51 0.00 0.00 72.50 69.56 3hm2 s THR 25 CO 0.13 0.43 0.45 -0.22 -2.21 0.00 0.00 174.62 173.19 3hm2 s LEU 26 N 0.38 4.38 -0.43 9.08 2.96 0.30 -3.01 118.68 132.35 3hm2 s LEU 26 Ca -0.12 0.93 0.04 0.00 -0.22 0.00 0.00 54.13 54.75 3hm2 s LEU 26 Cb -0.15 -2.96 0.12 0.00 0.50 0.00 0.00 46.19 43.69 3hm2 s LEU 26 CO 0.05 0.19 0.16 0.26 -1.32 0.00 0.00 176.35 175.69 3hm2 s TRP 27 N -1.33 3.46 -0.16 5.38 0.52 -0.85 0.07 118.94 126.03 3hm2 s TRP 27 Ca 0.32 -3.09 -0.26 0.00 0.02 0.00 0.00 56.10 53.08 3hm2 s TRP 27 Cb -0.15 -2.88 -0.01 0.00 -1.15 0.00 0.00 33.47 29.28 3hm2 s TRP 27 CO 0.17 -0.84 0.88 0.34 0.02 0.00 0.00 176.95 177.52 3hm2 s ASP 28 N 0.29 7.03 -0.56 2.95 2.15 -0.18 -1.28 116.67 127.07 3hm2 s ASP 28 Ca 0.14 1.27 0.01 0.00 0.43 0.00 0.00 52.55 54.40 3hm2 s ASP 28 Cb -0.23 -2.48 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 3hm2 s ASP 28 CO -0.04 -0.42 1.81 -0.38 -0.17 0.00 0.00 175.17 175.97 3hm2 n ILE 29 N 4.72 3.33 -1.51 4.11 5.41 0.92 -2.15 119.36 134.19 3hm2 n ILE 29 Ca 0.06 -3.24 -0.19 0.00 1.00 0.00 0.00 62.75 60.38 3hm2 n ILE 29 Cb 0.49 -1.13 0.13 0.00 -0.71 0.00 0.00 39.64 38.42 3hm2 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hm2 n GLY 34 N -0.87 5.38 0.09 7.39 0.00 -1.26 -4.35 105.19 111.56 3hm2 n GLY 34 Ca 0.58 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 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 1.48 -0.09 0.03 1.61 4.64 -1.99 -2.78 113.55 116.45 3hm2 h SER 35 Ca 0.42 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 3hm2 h SER 35 Cb 1.63 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 3hm2 h SER 35 CO 0.88 0.43 -0.16 0.40 -0.87 0.00 0.00 176.83 177.52 3hm2 h ILE 36 N -1.02 1.20 0.36 0.95 1.08 -1.99 -0.91 117.51 117.18 3hm2 h ILE 36 Ca -0.01 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 3hm2 h ILE 36 Cb 0.17 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3hm2 h ILE 36 CO 0.02 0.28 -0.18 0.00 -0.69 0.00 0.00 178.15 177.58 3hm2 h ALA 37 N 1.59 -0.49 -0.31 1.87 0.00 -1.96 -2.45 119.26 117.51 3hm2 h ALA 37 Ca 0.05 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hm2 h ALA 37 Cb 0.44 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3hm2 h ALA 37 CO 0.03 -0.63 -0.03 0.82 0.00 0.00 0.00 179.25 179.43 3hm2 h ILE 38 N -0.77 0.74 -0.77 0.00 5.03 -1.25 -2.42 117.51 118.07 3hm2 h ILE 38 Ca -0.05 -0.02 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 3hm2 h ILE 38 Cb 0.52 0.68 -0.04 0.00 -3.03 0.00 0.00 36.82 34.95 3hm2 h ILE 38 CO 0.08 0.01 0.51 -0.08 -0.68 0.00 0.00 178.15 177.99 3hm2 h GLU 39 N 0.05 0.88 0.00 2.37 4.57 -1.20 0.33 114.58 121.58 3hm2 h GLU 39 Ca 0.15 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3hm2 h GLU 39 Cb 0.21 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3hm2 h GLU 39 CO -0.28 0.58 0.00 1.87 -1.18 0.00 0.00 179.01 180.01 3hm2 n TRP 40 N -4.46 0.77 1.14 0.92 -0.00 -0.92 -2.11 117.44 112.77 3hm2 n TRP 40 Ca 0.10 0.36 0.12 0.00 -0.00 0.00 0.00 57.50 58.08 3hm2 n TRP 40 Cb 0.15 -1.07 0.20 0.00 -0.00 0.00 0.00 31.31 30.58 3hm2 n TRP 40 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3hm2 n LEU 41 N -2.25 1.77 -0.01 5.87 4.77 0.11 -4.13 117.00 123.14 3hm2 n LEU 41 Ca -0.00 -0.60 0.02 0.00 -0.03 0.00 0.00 56.01 55.40 3hm2 n LEU 41 Cb 0.11 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3hm2 n LEU 41 CO 0.14 0.32 -0.62 -1.14 -1.33 0.00 0.00 177.39 174.76 3hm2 n ARG 42 N -0.01 0.98 0.00 3.23 0.00 -0.90 -4.66 116.66 115.29 3hm2 n ARG 42 Ca 0.12 -0.05 0.11 0.00 -0.00 0.00 0.00 57.85 58.03 3hm2 n ARG 42 Cb 0.43 -1.16 0.01 0.00 0.00 0.00 0.00 32.46 31.74 3hm2 n ARG 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hm2 n SER 43 N -1.88 1.48 -3.68 6.15 3.41 -1.18 -4.91 113.62 113.02 3hm2 n SER 43 Ca -0.04 -1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 57.22 3hm2 n SER 43 Cb 0.33 0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 64.73 3hm2 n SER 43 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hm2 s THR 44 N -2.69 -0.25 0.76 6.66 2.01 -1.26 -5.12 115.64 115.75 3hm2 s THR 44 Ca 0.15 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 3hm2 s THR 44 Cb 0.17 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.43 3hm2 s THR 44 CO 0.68 0.14 1.09 -2.84 -0.69 0.00 0.00 174.62 173.00 3hm2 s PRO 45 N 2.18 2.33 -1.38 4.92 0.02 -1.26 -3.37 135.00 138.45 3hm2 s PRO 45 Ca 0.02 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.24 3hm2 s PRO 45 Cb -0.12 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3hm2 s PRO 45 CO -0.06 -1.59 0.00 1.04 -0.33 0.00 0.00 177.00 176.06 3hm2 n GLN 46 N -3.36 -1.39 -4.22 5.54 6.02 -1.26 -4.43 117.38 114.28 3hm2 n GLN 46 Ca 0.09 0.80 -0.34 0.00 -0.01 0.00 0.00 57.00 57.54 3hm2 n GLN 46 Cb 0.53 -5.03 -0.11 0.00 1.02 0.00 0.00 30.24 26.65 3hm2 n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3hm2 s THR 47 N -2.06 4.29 0.01 5.09 -4.23 -1.19 -4.21 115.64 113.33 3hm2 s THR 47 Ca 0.00 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 3hm2 s THR 47 Cb 0.00 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3hm2 s THR 47 CO 0.00 0.48 -0.06 0.42 -0.54 0.00 0.00 174.62 174.92 3hm2 s THR 48 N 0.37 3.73 -0.11 3.99 -4.23 -1.23 -4.72 115.64 113.45 3hm2 s THR 48 Ca -0.01 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3hm2 s THR 48 Cb -0.13 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3hm2 s THR 48 CO 0.02 0.37 -0.07 0.00 -0.54 0.00 0.00 174.62 174.39 3hm2 s ALA 49 N -1.03 2.90 -0.19 3.99 0.00 -1.24 -0.54 121.76 125.67 3hm2 s ALA 49 Ca 0.18 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 3hm2 s ALA 49 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3hm2 s ALA 49 CO 0.08 0.40 0.02 0.08 0.00 0.00 0.00 175.76 176.35 3hm2 s VAL 50 N -0.22 4.32 0.10 0.00 1.01 0.11 -0.80 120.40 124.92 3hm2 s VAL 50 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3hm2 s VAL 50 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3hm2 s VAL 50 CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3hm2 s PHE 52 N -1.37 1.56 -0.13 0.00 0.08 -0.91 -0.19 117.98 117.02 3hm2 s PHE 52 Ca 0.26 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 3hm2 s PHE 52 Cb -0.11 -1.27 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 3hm2 s PHE 52 CO 0.19 -0.54 0.12 -2.00 -0.10 0.00 0.00 175.22 172.89 3hm2 s GLU 53 N 1.68 0.05 0.57 0.44 2.56 -0.04 -4.75 118.70 119.22 3hm2 s GLU 53 Ca 0.04 0.20 0.35 0.00 0.00 0.00 0.00 54.97 55.56 3hm2 s GLU 53 Cb -0.13 -1.11 1.70 0.00 2.00 0.00 0.00 34.13 36.59 3hm2 s GLU 53 CO -0.08 -0.52 2.13 0.97 -0.56 0.00 0.00 175.26 177.19 3hm2 h ILE 54 N 6.39 0.21 -3.44 -3.70 6.09 -1.85 -3.33 117.51 117.89 3hm2 h ILE 54 Ca -0.14 -0.39 -0.61 0.00 -1.37 0.00 0.00 64.86 62.35 3hm2 h ILE 54 Cb 1.14 1.31 -0.11 0.00 0.47 0.00 0.00 36.82 39.63 3hm2 h ILE 54 CO 0.23 0.05 0.29 -0.55 -3.07 0.00 0.00 178.15 175.09 3hm2 s SER 55 N -5.71 6.63 0.19 2.19 0.15 -1.26 -4.81 113.70 111.09 3hm2 s SER 55 Ca -0.02 0.69 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 3hm2 s SER 55 Cb 0.12 -2.38 0.23 0.00 -1.71 0.00 0.00 66.02 62.28 3hm2 s SER 55 CO 0.52 -0.50 1.72 -0.33 1.20 0.00 0.00 173.24 175.86 3hm2 h GLU 56 N 7.99 0.27 -0.35 5.44 5.08 -2.00 -1.25 114.58 129.76 3hm2 h GLU 56 Ca -0.25 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3hm2 h GLU 56 Cb 1.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3hm2 h GLU 56 CO 0.83 0.18 0.05 1.49 -1.00 0.00 0.00 179.01 180.56 3hm2 h GLU 57 N 0.28 0.58 -0.06 2.33 4.57 -1.96 0.18 114.58 120.50 3hm2 h GLU 57 Ca 0.27 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3hm2 h GLU 57 Cb 0.36 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3hm2 h GLU 57 CO -0.33 0.66 -0.32 0.00 -1.18 0.00 0.00 179.01 177.83 3hm2 h ARG 58 N 0.41 0.10 0.45 1.92 3.08 -1.95 -2.82 114.38 115.58 3hm2 h ARG 58 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3hm2 h ARG 58 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hm2 h ARG 58 CO 0.01 0.42 -0.22 0.00 -1.07 0.00 0.00 179.97 179.11 3hm2 h ARG 59 N 0.09 -0.59 -0.46 0.04 3.08 -0.39 -1.09 114.38 115.07 3hm2 h ARG 59 Ca 0.01 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.24 3hm2 h ARG 59 Cb 0.62 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3hm2 h ARG 59 CO 0.05 -0.30 0.80 1.49 -1.07 0.00 0.00 179.97 180.94 3hm2 h GLU 60 N -0.83 0.00 0.16 0.04 4.81 -0.58 0.12 114.58 118.31 3hm2 h GLU 60 Ca -0.06 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 3hm2 h GLU 60 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3hm2 h GLU 60 CO 0.10 0.00 -1.65 0.00 -0.73 0.00 0.00 179.01 176.73 3hm2 h ARG 61 N 0.00 0.34 -0.21 1.92 3.08 -1.12 -2.51 114.38 115.89 3hm2 h ARG 61 Ca 0.22 -0.58 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 3hm2 h ARG 61 Cb 1.81 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 32.07 3hm2 h ARG 61 CO -0.00 1.28 0.03 0.82 -1.07 0.00 0.00 179.97 181.03 3hm2 h ILE 62 N -0.03 1.22 -0.13 2.04 2.04 0.47 -1.73 117.51 121.38 3hm2 h ILE 62 Ca -0.34 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.68 3hm2 h ILE 62 Cb 1.98 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 3hm2 h ILE 62 CO 0.13 0.23 -0.37 0.25 0.00 0.00 0.00 178.15 178.40 3hm2 h LEU 63 N 0.14 0.28 0.25 1.44 5.85 -1.56 -1.03 115.31 120.67 3hm2 h LEU 63 Ca 0.06 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hm2 h LEU 63 Cb 0.31 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3hm2 h LEU 63 CO 0.00 0.63 -0.31 -1.28 -0.34 0.00 0.00 178.44 177.15 3hm2 h SER 64 N 0.23 -0.84 1.35 1.25 0.87 -1.18 -3.16 113.55 112.08 3hm2 h SER 64 Ca 0.03 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3hm2 h SER 64 Cb 0.76 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 3hm2 h SER 64 CO 0.06 -0.42 -0.66 0.78 -0.53 0.00 0.00 176.83 176.05 3hm2 h ASN 65 N -0.61 0.00 -0.39 6.23 2.35 -1.30 -2.45 115.58 119.41 3hm2 h ASN 65 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3hm2 h ASN 65 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3hm2 h ASN 65 CO -0.10 0.51 0.95 0.00 -1.65 0.00 0.00 177.43 177.15 3hm2 h ALA 66 N 1.49 2.26 0.17 -0.83 0.00 -1.15 -1.76 119.26 119.45 3hm2 h ALA 66 Ca -0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3hm2 h ALA 66 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3hm2 h ALA 66 CO 0.06 -1.15 -1.74 0.82 0.00 0.00 0.00 179.25 177.24 3hm2 h ILE 67 N 0.00 0.94 -0.73 0.00 5.03 -1.46 -2.23 117.51 119.06 3hm2 h ILE 67 Ca 0.19 -2.55 0.16 0.00 -0.12 0.00 0.00 64.86 62.54 3hm2 h ILE 67 Cb 2.08 2.73 -0.11 0.00 -3.03 0.00 0.00 36.82 38.49 3hm2 h ILE 67 CO -0.00 0.85 0.14 0.78 -0.68 0.00 0.00 178.15 179.24 3hm2 h ASN 68 N 0.10 -0.05 -0.62 1.72 4.21 -1.47 -1.72 115.58 117.75 3hm2 h ASN 68 Ca -0.33 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.33 3hm2 h ASN 68 Cb 2.08 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 39.50 3hm2 h ASN 68 CO 0.17 -0.06 0.00 0.18 -1.29 0.00 0.00 177.43 176.42 3hm2 n LEU 69 N -5.19 5.28 -3.51 1.61 4.77 -1.25 -4.95 117.00 113.76 3hm2 n LEU 69 Ca 0.14 -2.67 -0.19 0.00 -0.03 0.00 0.00 56.01 53.26 3hm2 n LEU 69 Cb 0.46 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3hm2 n LEU 69 CO 0.11 0.72 0.03 0.61 -1.33 0.00 0.00 177.39 177.53 3hm2 n GLY 70 N 0.89 -0.45 0.00 -0.72 0.00 -0.65 -4.88 105.19 99.39 3hm2 n GLY 70 Ca 0.27 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3hm2 n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hm2 n VAL 71 N -4.08 0.09 -0.03 1.61 0.31 -0.89 -4.90 118.33 110.43 3hm2 n VAL 71 Ca -0.26 -0.12 0.15 0.00 -0.01 0.00 0.00 64.34 64.10 3hm2 n VAL 71 Cb 0.66 1.29 0.58 0.00 -0.91 0.00 0.00 33.84 35.47 3hm2 n VAL 71 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hm2 h SER 72 N 0.00 0.20 -0.45 4.52 4.64 -1.75 0.18 113.55 120.90 3hm2 h SER 72 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hm2 h SER 72 Cb 0.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hm2 h SER 72 CO 0.00 0.12 0.00 0.47 -0.87 0.00 0.00 176.83 176.55 3hm2 n ASP 73 N -4.45 2.57 -0.08 4.97 8.00 -1.26 -3.07 116.55 123.24 3hm2 n ASP 73 Ca 0.09 -2.05 -0.09 0.00 0.71 0.00 0.00 54.79 53.45 3hm2 n ASP 73 Cb 0.44 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 3hm2 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hm2 n ARG 74 N 0.79 1.26 -2.85 -1.24 1.74 0.62 -4.98 116.66 112.00 3hm2 n ARG 74 Ca 0.15 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 3hm2 n ARG 74 Cb 0.43 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.37 4.54 -0.33 0.55 2.07 -1.08 -3.61 121.20 120.96 3hm2 s ILE 75 Ca -0.12 1.88 -0.02 0.00 -1.41 0.00 0.00 60.65 60.97 3hm2 s ILE 75 Cb 0.05 -4.23 0.06 0.00 0.13 0.00 0.00 42.46 38.47 3hm2 s ILE 75 CO 0.58 0.37 0.06 0.00 -1.91 0.00 0.00 174.94 174.04 3hm2 s ALA 76 N -0.22 2.92 -0.51 1.50 0.00 0.02 -4.92 121.76 120.55 3hm2 s ALA 76 Ca 0.42 -1.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 3hm2 s ALA 76 Cb -0.22 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.84 3hm2 s ALA 76 CO 0.27 -1.41 1.04 0.08 0.00 0.00 0.00 175.76 175.74 3hm2 s VAL 77 N 1.24 4.29 0.63 0.00 1.01 -1.26 -0.63 120.40 125.67 3hm2 s VAL 77 Ca -0.01 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3hm2 s VAL 77 Cb -0.20 -4.56 0.12 0.00 0.00 0.00 0.00 36.38 31.73 3hm2 s VAL 77 CO -0.01 -1.05 0.86 0.00 0.00 0.00 0.00 175.10 174.90 3hm2 n GLN 78 N 7.67 0.24 0.00 2.72 1.13 0.73 -4.95 117.38 124.92 3hm2 n GLN 78 Ca 0.07 -2.74 0.00 0.00 -1.94 0.00 0.00 57.00 52.39 3hm2 n GLN 78 Cb 0.49 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.39 3hm2 n GLN 78 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3hm2 n GLN 79 N -2.50 2.57 -2.59 -1.09 6.02 -1.26 -0.86 117.38 117.67 3hm2 n GLN 79 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.81 3hm2 n GLN 79 Cb 0.56 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.78 3hm2 n GLN 79 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hm2 s GLY 80 N -0.90 2.39 1.14 1.08 0.00 -1.25 -1.50 107.32 108.29 3hm2 s GLY 80 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 3hm2 s GLY 80 CO 0.00 0.78 1.05 0.00 0.00 0.00 0.00 173.10 174.93 3hm2 s ALA 81 N -2.15 0.04 -2.18 3.20 0.00 -1.26 -1.63 121.76 117.77 3hm2 s ALA 81 Ca 0.64 -0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.42 3hm2 s ALA 81 Cb -0.13 -3.14 0.52 0.00 0.00 0.00 0.00 23.12 20.38 3hm2 s ALA 81 CO 0.20 -3.57 1.43 -2.30 0.00 0.00 0.00 175.76 171.52 3hm2 n PRO 82 N -4.72 2.18 0.00 0.00 -0.02 -1.26 -4.59 135.00 126.59 3hm2 n PRO 82 Ca 0.05 -1.81 0.14 0.00 -2.02 0.00 0.00 63.50 59.87 3hm2 n PRO 82 Cb 0.56 -1.43 0.67 0.00 -0.02 0.00 0.00 33.50 33.28 3hm2 n PRO 82 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hm2 n ARG 83 N 0.99 0.82 0.16 -0.52 1.74 -1.23 -2.68 116.66 115.93 3hm2 n ARG 83 Ca 0.18 -0.25 0.01 0.00 -0.77 0.00 0.00 57.85 57.02 3hm2 n ARG 83 Cb 0.46 -1.49 0.24 0.00 -1.02 0.00 0.00 32.46 30.65 3hm2 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hm2 h ALA 84 N 3.74 1.03 -0.96 7.54 0.00 -1.56 -3.26 119.26 125.79 3hm2 h ALA 84 Ca 0.00 -0.47 0.15 0.00 0.00 0.00 0.00 54.91 54.59 3hm2 h ALA 84 Cb 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 3hm2 h ALA 84 CO 0.00 0.65 0.57 0.74 0.00 0.00 0.00 179.25 181.20 3hm2 h PHE 85 N 0.00 1.01 0.00 0.00 0.04 -1.78 0.59 116.94 116.80 3hm2 h PHE 85 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3hm2 h PHE 85 Cb 0.98 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 3hm2 h PHE 85 CO 0.00 0.29 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.53 3hm2 h ASP 86 N 0.80 0.00 -0.66 2.17 3.32 -1.78 0.66 116.42 120.93 3hm2 h ASP 86 Ca 0.52 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 3hm2 h ASP 86 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3hm2 h ASP 86 CO -0.34 0.03 0.40 0.44 -1.72 0.00 0.00 179.24 178.06 3hm2 h ASP 87 N 0.00 0.79 -3.13 6.45 3.32 -1.06 -3.40 116.42 119.39 3hm2 h ASP 87 Ca -0.00 -0.04 -0.75 0.00 0.02 0.00 0.00 57.03 56.26 3hm2 h ASP 87 Cb 0.14 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 39.26 3hm2 h ASP 87 CO 0.00 0.61 -0.12 -0.69 -1.72 0.00 0.00 179.24 177.33 3hm2 s VAL 88 N -5.69 5.19 0.21 -1.35 1.01 0.23 -4.90 120.40 115.09 3hm2 s VAL 88 Ca -0.10 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.35 3hm2 s VAL 88 Cb 0.17 -4.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3hm2 s VAL 88 CO 0.78 -0.94 1.51 1.55 0.00 0.00 0.00 175.10 178.00 3hm2 h PRO 89 N 8.81 0.37 -6.21 2.72 0.13 -1.78 -3.44 132.00 132.61 3hm2 h PRO 89 Ca -0.25 -0.26 -0.56 0.00 -0.87 0.00 0.00 66.00 64.06 3hm2 h PRO 89 Cb 1.09 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3hm2 h PRO 89 CO 1.02 0.88 0.90 0.34 -0.23 0.00 0.00 178.00 180.91 3hm2 s ASP 90 N -6.93 6.90 0.76 1.44 3.68 -1.26 -4.99 116.67 116.28 3hm2 s ASP 90 Ca -0.05 1.84 -0.11 0.00 2.13 0.00 0.00 52.55 56.35 3hm2 s ASP 90 Cb 0.11 -2.54 0.05 0.00 -1.45 0.00 0.00 42.92 39.09 3hm2 s ASP 90 CO 0.82 -0.76 1.08 0.20 0.13 0.00 0.00 175.17 176.64 3hm2 s ASN 91 N 2.14 4.73 0.57 -0.34 0.01 -1.26 -5.05 114.94 115.73 3hm2 s ASN 91 Ca 0.59 1.60 -0.02 0.00 -0.71 0.00 0.00 52.86 54.32 3hm2 s ASN 91 Cb -0.25 -2.38 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3hm2 s ASN 91 CO 0.19 -1.86 0.83 -2.84 -1.51 0.00 0.00 177.10 171.91 3hm2 s PRO 92 N -5.01 2.69 -0.04 -0.60 0.02 -1.21 -4.98 135.00 125.87 3hm2 s PRO 92 Ca 0.60 -0.42 -0.01 0.00 0.02 0.00 0.00 61.00 61.19 3hm2 s PRO 92 Cb -0.15 -2.39 -0.02 0.00 0.02 0.00 0.00 34.50 31.95 3hm2 s PRO 92 CO 0.55 -0.71 -0.05 -0.25 -0.33 0.00 0.00 177.00 176.22 3hm2 n ASP 93 N -2.45 2.34 -4.33 2.53 10.43 -1.16 -4.19 116.55 119.72 3hm2 n ASP 93 Ca 0.06 0.01 -0.26 0.00 2.57 0.00 0.00 54.79 57.16 3hm2 n ASP 93 Cb 0.59 -0.09 -0.13 0.00 1.84 0.00 0.00 41.12 43.33 3hm2 n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hm2 s VAL 94 N -2.08 1.95 -0.03 2.53 1.01 -1.16 -1.87 120.40 120.74 3hm2 s VAL 94 Ca -0.06 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.28 3hm2 s VAL 94 Cb 0.02 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3hm2 s VAL 94 CO 0.09 -0.02 -0.08 -0.63 0.00 0.00 0.00 175.10 174.47 3hm2 s ILE 95 N -1.18 0.73 -0.14 2.22 1.01 -1.11 -2.00 121.20 120.72 3hm2 s ILE 95 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3hm2 s ILE 95 Cb -0.10 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.72 3hm2 s ILE 95 CO 0.05 0.24 -0.17 0.12 0.00 0.00 0.00 174.94 175.18 3hm2 s PHE 96 N 0.42 2.36 -0.30 3.97 5.36 -0.40 -1.82 117.98 127.56 3hm2 s PHE 96 Ca -0.06 -1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 54.60 3hm2 s PHE 96 Cb -0.11 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 3hm2 s PHE 96 CO 0.01 -0.64 0.04 0.42 -1.46 0.00 0.00 175.22 173.59 3hm2 s ILE 97 N 1.16 3.41 -0.36 3.12 1.01 -1.04 -0.06 121.20 128.46 3hm2 s ILE 97 Ca -0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 3hm2 s ILE 97 Cb -0.14 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.56 3hm2 s ILE 97 CO -0.07 -0.04 2.53 0.61 0.00 0.00 0.00 174.94 177.97 3hm2 n GLY 98 N 4.74 4.12 0.00 6.18 0.00 -1.26 -2.01 105.19 116.96 3hm2 n GLY 98 Ca -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3hm2 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 99 N 0.80 1.02 0.87 -0.02 0.00 -0.83 -4.84 105.19 102.19 3hm2 n GLY 99 Ca 0.40 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3hm2 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm2 n GLY 100 N 1.39 0.73 0.15 -0.02 0.00 -1.26 -4.97 105.19 101.21 3hm2 n GLY 100 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 3hm2 n GLY 100 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hm2 h LEU 101 N 0.00 0.06 -1.14 0.99 3.38 -1.93 -3.14 115.31 113.54 3hm2 h LEU 101 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hm2 h LEU 101 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hm2 h LEU 101 CO 0.00 0.61 -0.39 0.71 0.09 0.00 0.00 178.44 179.45 3hm2 h THR 102 N 0.04 1.29 -2.63 0.22 1.35 -1.90 -3.44 112.91 107.85 3hm2 h THR 102 Ca -0.00 -1.40 -0.56 0.00 -0.55 0.00 0.00 66.41 63.90 3hm2 h THR 102 Cb 1.00 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 3hm2 h THR 102 CO 0.08 0.40 1.16 0.00 -0.25 0.00 0.00 175.52 176.91 3hm2 s ALA 103 N -4.15 3.32 0.74 6.62 0.00 -1.19 -4.96 121.76 122.14 3hm2 s ALA 103 Ca -0.03 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 3hm2 s ALA 103 Cb 0.14 -3.85 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3hm2 s ALA 103 CO 0.74 -1.88 1.00 -2.30 0.00 0.00 0.00 175.76 173.32 3hm2 n PRO 104 N 7.63 0.47 0.00 0.00 -0.02 -1.26 -3.04 135.00 138.78 3hm2 n PRO 104 Ca 0.20 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hm2 n PRO 104 Cb 0.44 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.02 1.35 0.13 -1.23 0.00 -1.26 -4.80 105.19 100.40 3hm2 n GLY 105 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.10 0.60 1.61 2.07 -1.91 -1.94 116.25 116.76 3hm2 h VAL 106 Ca 0.00 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hm2 h VAL 106 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3hm2 h VAL 106 CO 0.00 0.03 -0.30 0.15 0.02 0.00 0.00 177.57 177.47 3hm2 h PHE 107 N -1.05 -0.77 -0.94 1.57 3.57 -1.85 -2.51 116.94 114.96 3hm2 h PHE 107 Ca -0.02 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3hm2 h PHE 107 Cb 0.22 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.09 3hm2 h PHE 107 CO 0.01 -0.47 -0.51 0.00 -2.23 0.00 0.00 178.31 175.11 3hm2 n ALA 108 N -2.45 -0.48 -0.25 2.41 0.00 -1.26 -0.76 120.51 117.72 3hm2 n ALA 108 Ca -0.13 0.84 0.09 0.00 0.00 0.00 0.00 53.44 54.24 3hm2 n ALA 108 Cb 0.34 -0.20 0.35 0.00 0.00 0.00 0.00 19.45 19.93 3hm2 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hm2 h ALA 109 N 0.68 1.73 0.00 0.00 0.00 -1.23 -2.87 119.26 117.58 3hm2 h ALA 109 Ca 0.20 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 3hm2 h ALA 109 Cb 0.43 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hm2 h ALA 109 CO -0.90 0.08 -1.55 0.00 0.00 0.00 0.00 179.25 176.88 3hm2 h ALA 110 N 1.58 0.70 0.00 0.00 0.00 -0.60 -3.13 119.26 117.82 3hm2 h ALA 110 Ca 0.39 -1.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 3hm2 h ALA 110 Cb 0.48 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hm2 h ALA 110 CO -0.16 1.43 -0.01 2.35 0.00 0.00 0.00 179.25 182.87 3hm2 h TRP 111 N 0.00 0.00 0.08 0.00 2.91 -0.73 -2.30 115.95 115.91 3hm2 h TRP 111 Ca -0.23 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 59.52 3hm2 h TRP 111 Cb 1.91 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 30.58 3hm2 h TRP 111 CO 0.00 0.01 -1.16 0.87 -1.03 0.00 0.00 178.44 177.13 3hm2 h LYS 112 N 0.00 0.53 0.00 2.65 1.57 -1.47 -3.17 116.57 116.68 3hm2 h LYS 112 Ca -0.00 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3hm2 h LYS 112 Cb 0.22 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3hm2 h LYS 112 CO 0.00 1.29 0.00 0.54 -0.57 0.00 0.00 179.45 180.71 3hm2 n ARG 113 N -3.75 0.81 -3.61 3.15 5.12 -0.87 -4.73 116.66 112.78 3hm2 n ARG 113 Ca -0.11 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.41 3hm2 n ARG 113 Cb 0.95 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 30.66 3hm2 n ARG 113 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hm2 s LEU 114 N -1.96 4.43 0.48 0.55 2.96 -1.17 -3.33 118.68 120.64 3hm2 s LEU 114 Ca 0.37 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 3hm2 s LEU 114 Cb 0.17 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 3hm2 s LEU 114 CO 0.29 -0.28 1.23 -0.81 -1.32 0.00 0.00 176.35 175.46 3hm2 n PRO 115 N 5.01 1.66 -1.67 0.98 -0.04 -1.26 -4.88 135.00 134.80 3hm2 n PRO 115 Ca -0.13 0.60 -0.38 0.00 -0.04 0.00 0.00 63.50 63.55 3hm2 n PRO 115 Cb 0.48 -2.38 0.04 0.00 -0.04 0.00 0.00 33.50 31.61 3hm2 n PRO 115 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hm2 n VAL 116 N -0.69 3.69 0.00 0.52 0.31 -1.26 -0.61 118.33 120.28 3hm2 n VAL 116 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3hm2 n VAL 116 Cb 0.42 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 1.04 2.90 3.76 2.92 0.00 -0.18 -4.98 105.19 110.65 3hm2 n GLY 117 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3hm2 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hm2 s GLY 118 N -1.56 2.88 0.30 -0.02 0.00 0.21 -4.63 107.32 104.50 3hm2 s GLY 118 Ca 0.00 1.18 0.07 0.00 0.00 0.00 0.00 44.72 45.97 3hm2 s GLY 118 CO 0.00 1.72 0.32 0.50 0.00 0.00 0.00 173.10 175.64 3hm2 s ARG 119 N -2.50 2.97 -0.07 2.90 0.52 -0.78 -0.60 118.95 121.39 3hm2 s ARG 119 Ca 0.62 -1.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 3hm2 s ARG 119 Cb -0.36 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.50 3hm2 s ARG 119 CO 0.45 0.21 0.33 -1.17 0.02 0.00 0.00 175.30 175.14 3hm2 s LEU 120 N -4.00 0.76 -0.04 2.53 0.20 0.17 -2.73 118.68 115.57 3hm2 s LEU 120 Ca 0.39 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 3hm2 s LEU 120 Cb -0.08 1.25 0.03 0.00 -0.43 0.00 0.00 46.19 46.96 3hm2 s LEU 120 CO 0.28 -0.31 0.07 -0.69 -0.29 0.00 0.00 176.35 175.41 3hm2 s VAL 121 N -0.67 -0.08 -0.04 1.68 1.01 -0.75 -0.39 120.40 121.16 3hm2 s VAL 121 Ca -0.08 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3hm2 s VAL 121 Cb -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3hm2 s VAL 121 CO 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 175.10 175.13 3hm2 s ALA 122 N 1.32 0.97 0.10 5.51 0.00 0.10 -2.50 121.76 127.27 3hm2 s ALA 122 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3hm2 s ALA 122 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3hm2 s ALA 122 CO -0.04 0.11 0.21 -0.80 0.00 0.00 0.00 175.76 175.24 3hm2 s ASN 123 N 0.46 6.15 -0.13 0.00 -0.87 -0.85 0.47 114.94 120.16 3hm2 s ASN 123 Ca -0.08 0.16 -0.06 0.00 -1.57 0.00 0.00 52.86 51.30 3hm2 s ASN 123 Cb -0.12 -1.82 0.06 0.00 -0.02 0.00 0.00 41.25 39.35 3hm2 s ASN 123 CO 0.01 0.12 0.30 0.00 -2.57 0.00 0.00 177.10 174.96 3hm2 s ALA 124 N -1.60 -0.71 -0.01 0.60 0.00 -0.50 -1.97 121.76 117.57 3hm2 s ALA 124 Ca 0.34 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.45 3hm2 s ALA 124 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3hm2 s ALA 124 CO 0.27 -0.40 0.82 1.55 0.00 0.00 0.00 175.76 178.00 3hm2 n VAL 125 N 4.70 0.63 -4.21 0.00 3.14 -1.26 -1.50 118.33 119.83 3hm2 n VAL 125 Ca -0.17 -0.66 -0.24 0.00 -2.96 0.00 0.00 64.34 60.31 3hm2 n VAL 125 Cb 0.52 0.64 -0.07 0.00 -1.06 0.00 0.00 33.84 33.86 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 -0.70 2.74 0.15 1.55 -4.23 -1.26 -4.91 115.64 108.97 3hm2 s THR 126 Ca 0.02 -1.82 -0.16 0.00 -1.18 0.00 0.00 61.69 58.56 3hm2 s THR 126 Cb 0.02 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3hm2 s THR 126 CO 0.00 -0.16 1.77 0.58 -0.54 0.00 0.00 174.62 176.27 3hm2 h VAL 127 N 1.64 1.14 -0.39 2.29 2.07 -1.99 -0.40 116.25 120.62 3hm2 h VAL 127 Ca -0.43 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3hm2 h VAL 127 Cb 1.25 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3hm2 h VAL 127 CO 0.66 0.14 0.04 -0.33 0.02 0.00 0.00 177.57 178.10 3hm2 h GLU 128 N 0.54 0.66 0.11 1.57 3.07 -1.99 -2.33 114.58 116.21 3hm2 h GLU 128 Ca 0.15 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3hm2 h GLU 128 Cb 0.02 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 3hm2 h GLU 128 CO -0.03 0.73 -0.33 0.77 -1.40 0.00 0.00 179.01 178.75 3hm2 h SER 129 N 0.50 -0.97 -0.18 1.42 0.02 -1.92 -2.24 113.55 110.18 3hm2 h SER 129 Ca 0.12 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3hm2 h SER 129 Cb 0.40 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3hm2 h SER 129 CO 0.01 -0.42 0.09 -0.08 -1.14 0.00 0.00 176.83 175.29 3hm2 h GLU 130 N -0.55 0.29 -0.78 3.45 4.81 -1.12 -2.17 114.58 118.51 3hm2 h GLU 130 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hm2 h GLU 130 Cb 0.59 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3hm2 h GLU 130 CO -0.21 0.25 0.00 1.04 -0.73 0.00 0.00 179.01 179.36 3hm2 n GLN 131 N -4.45 0.12 0.00 1.92 6.02 -0.85 -2.64 117.38 117.51 3hm2 n GLN 131 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hm2 n GLN 131 Cb 0.12 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 0.63 0.00 0.01 1.08 4.77 -0.82 -2.89 117.00 119.78 3hm2 n LEU 133 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3hm2 n LEU 133 Cb 0.04 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 3hm2 n LEU 133 CO 0.00 0.00 0.21 -0.50 -1.33 0.00 0.00 177.39 175.77 3hm2 h TRP 134 N 0.00 0.97 0.75 -1.77 4.06 -1.81 -0.71 115.95 117.44 3hm2 h TRP 134 Ca 0.00 -0.47 -0.03 0.00 2.06 0.00 0.00 58.89 60.45 3hm2 h TRP 134 Cb 0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.02 3hm2 h TRP 134 CO 0.00 1.30 -0.46 0.00 -3.56 0.00 0.00 178.44 175.72 3hm2 h ALA 135 N 0.56 -1.17 -0.83 1.49 0.00 -1.83 0.11 119.26 117.60 3hm2 h ALA 135 Ca -0.08 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3hm2 h ALA 135 Cb 1.51 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 3hm2 h ALA 135 CO 0.17 -1.17 0.51 -0.07 0.00 0.00 0.00 179.25 178.69 3hm2 h LEU 136 N -1.13 0.79 0.11 0.00 3.38 -1.87 -1.50 115.31 115.09 3hm2 h LEU 136 Ca -0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hm2 h LEU 136 Cb 0.91 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3hm2 h LEU 136 CO 0.10 0.51 -0.05 -0.09 0.09 0.00 0.00 178.44 179.00 3hm2 h ARG 137 N 0.92 -0.14 0.00 1.13 1.12 -1.10 -0.60 114.38 115.72 3hm2 h ARG 137 Ca 0.36 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.24 3hm2 h ARG 137 Cb 0.17 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 3hm2 h ARG 137 CO -0.17 0.07 0.00 0.87 -3.11 0.00 0.00 179.97 177.63 3hm2 h LYS 138 N -0.33 0.00 0.05 0.20 6.56 -0.46 0.22 116.57 122.81 3hm2 h LYS 138 Ca -0.01 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.24 3hm2 h LYS 138 Cb 0.27 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.90 3hm2 h LYS 138 CO 0.02 0.00 -1.89 0.94 -2.06 0.00 0.00 179.45 176.47 3hm2 n GLN 139 N -2.51 0.66 0.00 3.15 7.27 -0.59 -4.65 117.38 120.71 3hm2 n GLN 139 Ca -0.01 0.35 0.06 0.00 0.07 0.00 0.00 57.00 57.47 3hm2 n GLN 139 Cb 0.12 -1.67 -0.01 0.00 2.41 0.00 0.00 30.24 31.09 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 -3.85 0.00 -1.44 3.69 3.72 -0.28 -5.09 117.46 114.21 3hm2 n PHE 140 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3hm2 n PHE 140 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 1.03 0.58 0.87 1.37 0.00 0.76 -4.85 105.19 104.95 3hm2 n GLY 141 Ca 0.05 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.21 3.31 -0.02 0.00 -1.26 -4.35 105.19 100.65 3hm2 n GLY 142 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.99 2.01 -0.18 2.61 2.01 -0.17 -4.94 115.64 115.99 3hm2 s THR 143 Ca 0.00 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 3hm2 s THR 143 Cb 0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3hm2 s THR 143 CO 0.00 0.43 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.64 3hm2 s ILE 144 N -0.71 3.14 0.23 1.82 1.01 -1.26 -1.21 121.20 124.22 3hm2 s ILE 144 Ca 0.10 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.24 3hm2 s ILE 144 Cb -0.10 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3hm2 s ILE 144 CO 0.01 0.48 -0.14 -0.44 0.00 0.00 0.00 174.94 174.85 3hm2 s SER 145 N 0.98 2.76 0.03 3.58 0.01 -0.91 -4.96 113.70 115.19 3hm2 s SER 145 Ca -0.01 -1.05 -0.04 0.00 1.31 0.00 0.00 55.95 56.16 3hm2 s SER 145 Cb -0.15 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 3hm2 s SER 145 CO -0.01 -0.17 0.06 -0.94 0.41 0.00 0.00 173.24 172.59 3hm2 s SER 146 N -3.37 0.19 -0.19 2.44 1.04 -1.26 0.10 113.70 112.65 3hm2 s SER 146 Ca 0.25 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 3hm2 s SER 146 Cb -0.01 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.35 3hm2 s SER 146 CO 0.09 -0.43 -0.06 -0.36 0.98 0.00 0.00 173.24 173.46 3hm2 s PHE 147 N -2.13 1.98 -0.48 5.02 0.08 -0.56 -4.99 117.98 116.90 3hm2 s PHE 147 Ca -0.09 -1.34 -0.15 0.00 0.12 0.00 0.00 56.93 55.47 3hm2 s PHE 147 Cb -0.04 -1.43 0.09 0.00 -0.57 0.00 0.00 43.02 41.06 3hm2 s PHE 147 CO -0.03 -0.68 0.40 0.00 -0.10 0.00 0.00 175.22 174.82 3hm2 s ALA 148 N 1.54 3.55 -0.14 5.36 0.00 -1.26 -2.78 121.76 128.03 3hm2 s ALA 148 Ca -0.01 -2.21 -0.02 0.00 0.00 0.00 0.00 51.96 49.71 3hm2 s ALA 148 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3hm2 s ALA 148 CO -0.08 -1.79 -0.08 0.42 0.00 0.00 0.00 175.76 174.24 3hm2 s ILE 149 N 1.61 3.53 0.10 0.00 1.01 -1.26 -5.00 121.20 121.18 3hm2 s ILE 149 Ca 0.04 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.29 3hm2 s ILE 149 Cb -0.25 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3hm2 s ILE 149 CO 0.05 0.51 -0.23 -0.44 0.00 0.00 0.00 174.94 174.83 3hm2 s SER 150 N 0.34 2.77 0.17 3.58 0.01 -1.26 0.38 113.70 119.69 3hm2 s SER 150 Ca -0.07 -0.68 0.10 0.00 1.31 0.00 0.00 55.95 56.61 3hm2 s SER 150 Cb -0.15 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 3hm2 s SER 150 CO 0.04 0.11 -0.21 -1.00 0.41 0.00 0.00 173.24 172.59 3hm2 s HIS 151 N -1.07 2.04 0.05 2.43 0.09 -0.11 -4.91 115.29 113.82 3hm2 s HIS 151 Ca 0.09 -0.41 -0.31 0.00 -0.00 0.00 0.00 55.06 54.43 3hm2 s HIS 151 Cb -0.10 -1.02 -0.07 0.00 -0.00 0.00 0.00 32.58 31.38 3hm2 s HIS 151 CO 0.04 0.39 1.52 -1.83 -0.00 0.00 0.00 174.74 174.87 3hm2 s GLU 152 N -2.63 4.24 -0.10 1.40 -1.05 -1.26 -0.24 118.70 119.06 3hm2 s GLU 152 Ca 0.17 2.17 0.01 0.00 -0.15 0.00 0.00 54.97 57.16 3hm2 s GLU 152 Cb -0.07 -3.52 0.02 0.00 -0.44 0.00 0.00 34.13 30.12 3hm2 s GLU 152 CO 0.08 -0.63 -0.12 -1.58 0.95 0.00 0.00 175.26 173.96 3hm2 s HIS 153 N 2.28 1.67 -0.06 4.83 2.46 0.21 -4.89 115.29 121.78 3hm2 s HIS 153 Ca 0.69 -0.78 -0.07 0.00 0.47 0.00 0.00 55.06 55.36 3hm2 s HIS 153 Cb -0.37 -1.27 -0.04 0.00 -0.13 0.00 0.00 32.58 30.77 3hm2 s HIS 153 CO 0.30 -0.45 0.21 0.99 -2.47 0.00 0.00 174.74 173.31 3hm2 s THR 154 N 1.21 5.39 -0.40 0.89 2.01 -1.26 0.12 115.64 123.60 3hm2 s THR 154 Ca -0.03 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.22 3hm2 s THR 154 Cb -0.14 -3.49 0.14 0.00 0.01 0.00 0.00 72.50 69.01 3hm2 s THR 154 CO -0.03 0.52 0.23 -0.69 -0.69 0.00 0.00 174.62 173.96 3hm2 s VAL 155 N -1.13 0.84 0.00 3.82 1.01 0.42 -4.96 120.40 120.40 3hm2 s VAL 155 Ca 0.20 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 60.00 3hm2 s VAL 155 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3hm2 s VAL 155 CO 0.10 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.87 3hm2 n GLY 156 N 3.76 0.97 2.11 4.51 0.00 -1.26 -1.37 105.19 113.90 3hm2 n GLY 156 Ca 0.10 0.67 -0.23 0.00 0.00 0.00 0.00 46.02 46.57 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 5.89 4.36 -3.74 1.61 3.41 -1.26 -4.90 113.62 118.98 3hm2 n SER 157 Ca 0.00 -3.45 -0.13 0.00 -0.26 0.00 0.00 58.87 55.03 3hm2 n SER 157 Cb 0.00 -0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 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 -2.98 -0.42 -0.08 7.33 0.08 -0.47 -5.15 117.98 116.27 3hm2 s PHE 158 Ca 0.51 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.60 3hm2 s PHE 158 Cb 0.43 0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.99 3hm2 s PHE 158 CO 0.08 -0.21 -0.08 0.42 -0.10 0.00 0.00 175.22 175.33 3hm2 s ILE 159 N 0.18 3.61 0.00 0.64 1.01 -1.26 0.16 121.20 125.55 3hm2 s ILE 159 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3hm2 s ILE 159 Cb -0.03 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3hm2 s ILE 159 CO 0.01 0.58 0.00 0.35 0.00 0.00 0.00 174.94 175.88 3hm2 n THR 160 N 2.50 0.00 -3.29 2.92 -2.24 0.33 -4.92 114.28 109.57 3hm2 n THR 160 Ca -0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 3hm2 n THR 160 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3hm2 n THR 160 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hm2 s LYS 162 N 2.87 0.49 -0.40 -0.78 2.20 0.67 0.65 119.74 125.45 3hm2 s LYS 162 Ca 0.00 0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 56.24 3hm2 s LYS 162 Cb 0.00 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 3hm2 s LYS 162 CO 0.00 -0.56 1.15 -1.25 -0.36 0.00 0.00 175.35 174.33 3hm2 s PRO 163 N 2.76 3.86 1.09 4.03 0.04 -1.26 -0.93 135.00 144.58 3hm2 s PRO 163 Ca 0.14 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 3hm2 s PRO 163 Cb -0.15 -3.85 0.24 0.00 0.04 0.00 0.00 34.50 30.79 3hm2 s PRO 163 CO -0.19 -1.19 1.06 0.00 0.04 0.00 0.00 177.00 176.72 3hm2 s ALA 164 N 4.21 0.15 0.48 8.56 0.00 0.16 -4.95 121.76 130.36 3hm2 s ALA 164 Ca 0.49 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 3hm2 s ALA 164 Cb -0.10 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3hm2 s ALA 164 CO 0.25 -3.43 1.23 -0.51 0.00 0.00 0.00 175.76 173.30 3hm2 s LEU 165 N -6.92 3.99 0.32 0.00 1.43 -1.26 -4.63 118.68 111.61 3hm2 s LEU 165 Ca 0.67 2.46 -0.27 0.00 -1.03 0.00 0.00 54.13 55.96 3hm2 s LEU 165 Cb -0.23 -4.21 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3hm2 s LEU 165 CO 0.62 -1.07 0.97 -2.16 0.23 0.00 0.00 176.35 174.93 3hm2 s PRO 166 N -2.70 4.58 -0.15 1.29 0.05 -1.26 -4.73 135.00 132.07 3hm2 s PRO 166 Ca 0.65 1.41 -0.02 0.00 0.05 0.00 0.00 61.00 63.08 3hm2 s PRO 166 Cb -0.33 -2.86 -0.02 0.00 0.05 0.00 0.00 34.50 31.34 3hm2 s PRO 166 CO 0.39 0.26 -0.07 0.08 0.05 0.00 0.00 177.00 177.71 3hm2 s VAL 167 N -1.53 3.56 -0.06 -0.36 1.01 -1.12 -4.59 120.40 117.31 3hm2 s VAL 167 Ca 0.49 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3hm2 s VAL 167 Cb -0.21 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3hm2 s VAL 167 CO 0.27 0.50 0.28 -1.00 0.00 0.00 0.00 175.10 175.15 3hm2 s HIS 168 N 0.37 3.66 -0.21 5.22 3.76 -0.56 -1.50 115.29 126.03 3hm2 s HIS 168 Ca -0.07 0.76 0.01 0.00 -0.15 0.00 0.00 55.06 55.61 3hm2 s HIS 168 Cb -0.15 -2.13 0.05 0.00 1.11 0.00 0.00 32.58 31.47 3hm2 s HIS 168 CO 0.04 0.67 -0.07 -1.14 -0.85 0.00 0.00 174.74 173.39 3hm2 s GLN 169 N -0.99 1.75 0.18 1.40 0.74 0.28 -1.41 119.66 121.61 3hm2 s GLN 169 Ca 0.19 -0.89 -0.27 0.00 0.05 0.00 0.00 55.36 54.44 3hm2 s GLN 169 Cb -0.14 -2.47 -0.08 0.00 1.10 0.00 0.00 33.01 31.42 3hm2 s GLN 169 CO 0.09 -0.52 0.85 -0.46 -0.55 0.00 0.00 175.29 174.69 3hm2 s TRP 170 N 1.42 3.92 -0.14 1.67 -0.00 0.18 -2.13 118.94 123.85 3hm2 s TRP 170 Ca -0.04 1.73 -0.04 0.00 -0.00 0.00 0.00 56.10 57.76 3hm2 s TRP 170 Cb -0.18 -2.87 0.05 0.00 -0.00 0.00 0.00 33.47 30.48 3hm2 s TRP 170 CO -0.07 0.46 0.07 0.99 -0.00 0.00 0.00 176.95 178.40 3hm2 s THR 171 N -1.00 0.04 0.13 5.86 2.01 -0.35 0.03 115.64 122.36 3hm2 s THR 171 Ca 0.39 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.37 3hm2 s THR 171 Cb -0.24 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3hm2 s THR 171 CO 0.28 -0.12 -0.14 0.54 -0.69 0.00 0.00 174.62 174.49 3hm2 s VAL 172 N 2.09 1.38 -0.05 3.82 0.11 0.48 -1.00 120.40 127.21 3hm2 s VAL 172 Ca 0.02 -1.76 -0.02 0.00 -2.93 0.00 0.00 61.98 57.30 3hm2 s VAL 172 Cb -0.15 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 3hm2 s VAL 172 CO -0.07 -0.42 0.07 -0.69 -3.33 0.00 0.00 175.10 170.66 3hm2 s VAL 173 N -2.19 4.77 0.14 2.04 1.01 -1.26 0.42 120.40 125.32 3hm2 s VAL 173 Ca 0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 3hm2 s VAL 173 Cb -0.05 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 3hm2 s VAL 173 CO 0.03 0.49 0.69 -0.75 0.00 0.00 0.00 175.10 175.56 3hm2 s LYS 174 N -1.32 4.40 0.00 2.72 2.20 0.23 -4.80 119.74 123.17 3hm2 s LYS 174 Ca 0.18 0.97 0.13 0.00 -0.36 0.00 0.00 55.97 56.89 3hm2 s LYS 174 Cb -0.12 -3.22 0.11 0.00 -1.51 0.00 0.00 37.83 33.09 3hm2 s LYS 174 CO 0.08 0.58 0.92 0.00 -0.36 0.00 0.00 175.35 176.58