#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 1.37 0.14 1.61 3.00 -1.26 -4.27 117.38 117.98 3hm2 n GLN 4 Ca 0.00 -0.07 0.01 0.00 -0.01 0.00 0.00 57.00 56.93 3hm2 n GLN 4 Cb 0.00 -1.24 0.16 0.00 0.00 0.00 0.00 30.24 29.16 3hm2 n GLN 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3hm2 h LEU 5 N 0.00 0.00 -1.59 1.08 7.12 -2.06 -2.85 115.31 117.01 3hm2 h LEU 5 Ca 0.00 0.00 0.23 0.00 0.13 0.00 0.00 57.88 58.24 3hm2 h LEU 5 Cb 0.49 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.56 3hm2 h LEU 5 CO 0.00 0.58 0.63 0.74 -0.13 0.00 0.00 178.44 180.27 3hm2 h THR 6 N 0.00 0.61 0.04 1.05 2.02 -2.02 -1.61 112.91 113.01 3hm2 h THR 6 Ca -0.01 -0.11 -0.23 0.00 0.77 0.00 0.00 66.41 66.84 3hm2 h THR 6 Cb 1.17 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3hm2 h THR 6 CO 0.08 0.06 -1.04 0.50 0.37 0.00 0.00 175.52 175.48 3hm2 h LYS 7 N 0.31 0.15 -0.08 6.66 3.64 -1.78 -3.08 116.57 122.39 3hm2 h LYS 7 Ca 0.50 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3hm2 h LYS 7 Cb 1.40 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 3hm2 h LYS 7 CO -0.17 1.05 -0.46 0.37 -2.27 0.00 0.00 179.45 177.97 3hm2 h GLN 8 N 0.06 0.20 -0.95 1.90 4.15 -1.39 -0.73 115.11 118.34 3hm2 h GLN 8 Ca -0.06 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 3hm2 h GLN 8 Cb 1.75 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.40 3hm2 h GLN 8 CO 0.16 0.63 0.57 0.45 -1.93 0.00 0.00 178.83 178.70 3hm2 h HIS 9 N 0.16 1.25 0.09 3.99 3.86 -1.31 -1.44 115.15 121.75 3hm2 h HIS 9 Ca 0.01 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hm2 h HIS 9 Cb 0.88 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3hm2 h HIS 9 CO 0.01 0.83 -0.04 0.28 0.86 0.00 0.00 177.93 179.87 3hm2 h VAL 10 N 1.31 1.17 -0.24 2.45 2.07 -1.38 0.12 116.25 121.75 3hm2 h VAL 10 Ca 0.34 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3hm2 h VAL 10 Cb -0.06 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hm2 h VAL 10 CO -0.06 0.27 0.19 0.03 0.02 0.00 0.00 177.57 178.01 3hm2 h ARG 11 N -0.67 0.00 0.00 1.57 3.08 -1.21 0.42 114.38 117.58 3hm2 h ARG 11 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hm2 h ARG 11 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hm2 h ARG 11 CO 0.02 0.00 -0.45 0.00 -1.07 0.00 0.00 179.97 178.47 3hm2 h ALA 12 N 1.85 0.76 0.03 0.04 0.00 -1.13 -3.08 119.26 117.72 3hm2 h ALA 12 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.72 3hm2 h ALA 12 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hm2 h ALA 12 CO -0.00 0.00 -1.73 -0.07 0.00 0.00 0.00 179.25 177.45 3hm2 h LEU 13 N 0.00 0.11 -0.01 0.00 3.38 0.21 -3.29 115.31 115.72 3hm2 h LEU 13 Ca 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hm2 h LEU 13 Cb 0.93 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3hm2 h LEU 13 CO 0.00 1.21 -0.09 0.00 0.09 0.00 0.00 178.44 179.65 3hm2 h ALA 14 N 0.77 0.02 0.00 1.53 0.00 -0.44 -2.55 119.26 118.60 3hm2 h ALA 14 Ca -0.30 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hm2 h ALA 14 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hm2 h ALA 14 CO 0.09 -0.06 0.00 -0.89 0.00 0.00 0.00 179.25 178.39 3hm2 n ILE 15 N -4.66 1.25 -0.05 0.00 2.08 -1.16 0.03 119.36 116.84 3hm2 n ILE 15 Ca -0.09 0.46 -0.19 0.00 0.56 0.00 0.00 62.75 63.49 3hm2 n ILE 15 Cb 0.40 -1.40 -0.13 0.00 -0.75 0.00 0.00 39.64 37.76 3hm2 n ILE 15 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3hm2 h SER 16 N 0.00 0.13 0.00 4.38 0.87 -1.62 -2.10 113.55 115.20 3hm2 h SER 16 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 3hm2 h SER 16 Cb 0.13 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3hm2 h SER 16 CO 0.00 1.32 0.00 0.00 -0.53 0.00 0.00 176.83 177.62 3hm2 n ALA 17 N -2.93 1.70 -0.00 6.23 0.00 0.05 -2.20 120.51 123.35 3hm2 n ALA 17 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3hm2 n ALA 17 Cb 0.66 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 3hm2 n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hm2 n LEU 18 N -0.87 0.00 -3.51 0.00 4.77 0.10 -4.83 117.00 112.66 3hm2 n LEU 18 Ca 0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 3hm2 n LEU 18 Cb 0.01 0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3hm2 n LEU 18 CO 0.02 0.02 -0.00 0.00 -1.33 0.00 0.00 177.39 176.10 3hm2 n ALA 19 N -1.80 -2.67 -1.77 -1.18 0.00 -0.79 -4.81 120.51 107.49 3hm2 n ALA 19 Ca -0.02 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 3hm2 n ALA 19 Cb 0.29 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.37 4.07 -0.01 0.00 0.02 -1.26 -5.03 135.00 128.42 3hm2 s PRO 20 Ca 0.06 2.10 -0.01 0.00 0.02 0.00 0.00 61.00 63.17 3hm2 s PRO 20 Cb -0.02 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3hm2 s PRO 20 CO 0.84 -0.39 0.03 0.21 -0.33 0.00 0.00 177.00 177.36 3hm2 s LYS 21 N -2.15 0.09 0.22 5.54 2.20 -1.26 -4.98 119.74 119.40 3hm2 s LYS 21 Ca 0.55 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 3hm2 s LYS 21 Cb -0.37 0.04 -0.16 0.00 -1.51 0.00 0.00 37.83 35.83 3hm2 s LYS 21 CO 0.48 -0.01 0.73 -2.30 -0.36 0.00 0.00 175.35 173.88 3hm2 n PRO 22 N 2.84 0.51 -1.04 4.03 -0.02 -1.26 -1.24 135.00 138.82 3hm2 n PRO 22 Ca -0.14 0.18 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3hm2 n PRO 22 Cb 0.59 -1.34 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 3hm2 n PRO 22 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hm2 n HIS 23 N 0.18 0.00 -3.63 6.00 8.25 2.03 -4.93 115.22 123.13 3hm2 n HIS 23 Ca 0.15 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.24 3hm2 n HIS 23 Cb 0.27 -0.80 -0.07 0.00 1.12 0.00 0.00 29.99 30.51 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 -1.00 3.96 -0.18 -0.41 2.02 -0.37 -4.91 118.70 117.80 3hm2 s GLU 24 Ca 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 54.97 55.03 3hm2 s GLU 24 Cb 0.00 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 3hm2 s GLU 24 CO 0.00 0.49 -0.03 0.99 0.02 0.00 0.00 175.26 176.73 3hm2 s THR 25 N -0.28 3.76 0.25 3.63 2.01 -1.26 -0.83 115.64 122.93 3hm2 s THR 25 Ca 0.17 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3hm2 s THR 25 Cb -0.13 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3hm2 s THR 25 CO 0.06 0.46 0.29 -0.22 -0.69 0.00 0.00 174.62 174.51 3hm2 s LEU 26 N 0.81 4.07 -0.09 4.42 2.96 0.18 -1.86 118.68 129.17 3hm2 s LEU 26 Ca -0.01 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3hm2 s LEU 26 Cb -0.14 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 43.95 3hm2 s LEU 26 CO 0.02 -0.07 -0.06 0.26 -1.32 0.00 0.00 176.35 175.18 3hm2 s TRP 27 N -2.06 1.22 -0.35 5.38 0.52 -1.04 -1.02 118.94 121.57 3hm2 s TRP 27 Ca 0.34 -0.54 -0.09 0.00 0.02 0.00 0.00 56.10 55.83 3hm2 s TRP 27 Cb -0.08 -1.07 0.03 0.00 -1.15 0.00 0.00 33.47 31.19 3hm2 s TRP 27 CO 0.27 -0.43 0.16 0.34 0.02 0.00 0.00 176.95 177.31 3hm2 s ASP 28 N 1.67 5.53 -0.23 2.95 2.15 -0.42 0.13 116.67 128.46 3hm2 s ASP 28 Ca 0.03 -1.02 -0.13 0.00 0.43 0.00 0.00 52.55 51.86 3hm2 s ASP 28 Cb -0.13 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 3hm2 s ASP 28 CO -0.06 -0.35 0.27 -0.63 -0.17 0.00 0.00 175.17 174.23 3hm2 s ILE 29 N 1.49 5.28 0.00 4.11 1.09 0.11 -2.28 121.20 131.00 3hm2 s ILE 29 Ca 0.01 0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.96 3hm2 s ILE 29 Cb -0.19 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.60 3hm2 s ILE 29 CO 0.05 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 3hm2 n GLY 30 N 4.26 2.83 0.00 6.18 0.00 -1.18 -4.19 105.19 113.09 3hm2 n GLY 30 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 34 N 0.00 0.72 0.09 -0.02 0.00 -1.26 -4.99 105.19 99.73 3hm2 n GLY 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.16 -0.22 1.61 4.64 -2.01 -3.25 113.55 114.47 3hm2 h SER 35 Ca 0.00 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3hm2 h SER 35 Cb 0.86 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 3hm2 h SER 35 CO 0.00 1.08 0.06 0.40 -0.87 0.00 0.00 176.83 177.50 3hm2 h ILE 36 N 0.04 0.93 -0.54 0.95 1.08 -1.97 -0.99 117.51 117.00 3hm2 h ILE 36 Ca -0.05 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.50 3hm2 h ILE 36 Cb 1.74 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 3hm2 h ILE 36 CO 0.15 0.03 0.38 0.00 -0.69 0.00 0.00 178.15 178.02 3hm2 h ALA 37 N 1.15 2.33 0.14 1.87 0.00 -1.96 1.28 119.26 124.08 3hm2 h ALA 37 Ca 0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.66 3hm2 h ALA 37 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hm2 h ALA 37 CO -0.11 -0.48 -1.74 0.82 0.00 0.00 0.00 179.25 177.73 3hm2 h ILE 38 N 0.13 0.93 -0.22 0.00 2.04 -1.62 -1.66 117.51 117.11 3hm2 h ILE 38 Ca 0.26 -2.57 -0.03 0.00 1.00 0.00 0.00 64.86 63.52 3hm2 h ILE 38 Cb 0.85 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 3hm2 h ILE 38 CO -0.03 0.83 0.01 -0.08 0.00 0.00 0.00 178.15 178.88 3hm2 h GLU 39 N 0.08 0.32 -0.12 2.37 4.81 0.06 -0.15 114.58 121.95 3hm2 h GLU 39 Ca -0.33 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3hm2 h GLU 39 Cb 2.06 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.38 3hm2 h GLU 39 CO 0.15 0.34 -0.16 2.35 -0.73 0.00 0.00 179.01 180.96 3hm2 h TRP 40 N 0.31 0.40 -0.40 0.92 2.91 0.15 -3.25 115.95 116.99 3hm2 h TRP 40 Ca 0.07 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.97 3hm2 h TRP 40 Cb 0.20 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 3hm2 h TRP 40 CO 0.00 0.76 0.26 -0.07 -1.03 0.00 0.00 178.44 178.37 3hm2 h LEU 41 N -0.08 0.46 -0.92 0.65 3.38 -0.59 -2.68 115.31 115.54 3hm2 h LEU 41 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hm2 h LEU 41 Cb 0.71 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hm2 h LEU 41 CO 0.04 0.34 0.00 0.54 0.09 0.00 0.00 178.44 179.45 3hm2 n ARG 42 N -4.47 1.59 0.03 1.13 1.74 -0.13 -3.39 116.66 113.17 3hm2 n ARG 42 Ca 0.03 -0.90 0.05 0.00 -0.77 0.00 0.00 57.85 56.26 3hm2 n ARG 42 Cb 0.07 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 3hm2 n ARG 42 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hm2 n SER 43 N 0.16 0.58 -3.55 0.55 3.41 -1.01 -4.97 113.62 108.79 3hm2 n SER 43 Ca 0.14 0.24 -0.17 0.00 -0.26 0.00 0.00 58.87 58.81 3hm2 n SER 43 Cb 0.26 0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 64.90 3hm2 n SER 43 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hm2 s THR 44 N -3.16 0.00 0.87 6.66 -1.32 -1.22 -5.07 115.64 112.40 3hm2 s THR 44 Ca -0.04 -0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.32 3hm2 s THR 44 Cb 0.10 -0.98 0.12 0.00 -1.51 0.00 0.00 72.50 70.22 3hm2 s THR 44 CO 0.83 -0.01 1.13 -2.84 -2.21 0.00 0.00 174.62 171.52 3hm2 s PRO 45 N -0.93 1.42 -1.75 7.08 0.02 -1.26 -4.01 135.00 135.57 3hm2 s PRO 45 Ca -0.09 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.38 3hm2 s PRO 45 Cb -0.01 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.73 3hm2 s PRO 45 CO 0.08 -2.31 0.00 1.04 -0.33 0.00 0.00 177.00 175.48 3hm2 n GLN 46 N -3.97 -1.52 -4.25 5.54 6.02 -1.26 -4.59 117.38 113.35 3hm2 n GLN 46 Ca 0.11 0.99 -0.27 0.00 -0.01 0.00 0.00 57.00 57.82 3hm2 n GLN 46 Cb 0.52 -5.53 -0.09 0.00 1.02 0.00 0.00 30.24 26.16 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 -2.93 3.44 0.34 5.09 -4.23 -1.26 0.53 115.64 116.62 3hm2 s THR 47 Ca 0.00 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3hm2 s THR 47 Cb 0.00 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 3hm2 s THR 47 CO 0.00 -0.09 0.05 0.42 -0.54 0.00 0.00 174.62 174.46 3hm2 s THR 48 N -1.68 1.33 -0.15 3.99 -4.23 -0.01 -4.95 115.64 109.95 3hm2 s THR 48 Ca 0.26 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.60 3hm2 s THR 48 Cb -0.09 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 70.96 3hm2 s THR 48 CO 0.17 -0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.70 3hm2 s ALA 49 N -3.19 -1.13 -0.19 3.99 0.00 -0.96 0.49 121.76 120.77 3hm2 s ALA 49 Ca 0.36 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 3hm2 s ALA 49 Cb 0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3hm2 s ALA 49 CO 0.16 -0.23 -0.09 0.08 0.00 0.00 0.00 175.76 175.68 3hm2 s VAL 50 N 0.06 3.12 -0.15 0.00 1.01 -0.19 -0.73 120.40 123.52 3hm2 s VAL 50 Ca -0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3hm2 s VAL 50 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3hm2 s VAL 50 CO 0.01 0.47 0.08 0.00 0.00 0.00 0.00 175.10 175.66 3hm2 s PHE 52 N -0.26 3.32 0.05 0.00 0.40 -0.97 0.11 117.98 120.63 3hm2 s PHE 52 Ca 0.09 -2.96 0.09 0.00 -0.60 0.00 0.00 56.93 53.54 3hm2 s PHE 52 Cb -0.12 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 40.39 3hm2 s PHE 52 CO 0.01 -0.80 -0.24 -2.00 0.70 0.00 0.00 175.22 172.89 3hm2 s GLU 53 N -0.11 1.64 0.31 0.44 2.56 -1.14 -3.11 118.70 119.30 3hm2 s GLU 53 Ca 0.16 -1.05 0.18 0.00 0.00 0.00 0.00 54.97 54.27 3hm2 s GLU 53 Cb -0.23 -1.80 0.14 0.00 2.00 0.00 0.00 34.13 34.24 3hm2 s GLU 53 CO -0.02 0.46 1.44 0.97 -0.56 0.00 0.00 175.26 177.55 3hm2 h ILE 54 N 4.27 0.50 -3.37 -3.70 2.10 -1.84 -3.26 117.51 112.21 3hm2 h ILE 54 Ca -0.45 -1.73 -0.58 0.00 1.08 0.00 0.00 64.86 63.18 3hm2 h ILE 54 Cb 1.15 2.21 -0.08 0.00 -1.09 0.00 0.00 36.82 39.01 3hm2 h ILE 54 CO 0.44 0.29 0.03 -0.55 -1.08 0.00 0.00 178.15 177.27 3hm2 s SER 55 N -6.27 6.77 0.41 2.19 0.15 -1.26 -4.69 113.70 111.00 3hm2 s SER 55 Ca 0.04 0.93 0.11 0.00 0.70 0.00 0.00 55.95 57.74 3hm2 s SER 55 Cb 0.07 -2.35 0.86 0.00 -1.71 0.00 0.00 66.02 62.89 3hm2 s SER 55 CO 0.73 -0.14 1.94 -0.08 1.20 0.00 0.00 173.24 176.89 3hm2 h GLU 56 N 7.03 0.15 -0.11 5.44 4.81 -1.98 0.60 114.58 130.52 3hm2 h GLU 56 Ca -0.37 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3hm2 h GLU 56 Cb 1.17 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hm2 h GLU 56 CO 0.76 0.31 0.03 0.93 -0.73 0.00 0.00 179.01 180.31 3hm2 h GLU 57 N 0.15 0.17 0.00 1.92 4.39 -2.00 -1.64 114.58 117.57 3hm2 h GLU 57 Ca 0.03 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3hm2 h GLU 57 Cb 0.36 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3hm2 h GLU 57 CO 0.02 0.31 -0.90 0.00 -1.16 0.00 0.00 179.01 177.29 3hm2 h ARG 58 N -0.01 0.26 -0.54 2.33 3.08 -1.87 -2.66 114.38 114.97 3hm2 h ARG 58 Ca 0.04 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3hm2 h ARG 58 Cb 0.21 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hm2 h ARG 58 CO -0.00 1.00 0.24 0.00 -1.07 0.00 0.00 179.97 180.13 3hm2 h ARG 59 N 0.14 0.80 -0.36 0.04 3.08 0.21 -1.87 114.38 116.42 3hm2 h ARG 59 Ca -0.05 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3hm2 h ARG 59 Cb 1.53 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 3hm2 h ARG 59 CO 0.14 0.68 0.19 0.93 -1.07 0.00 0.00 179.97 180.84 3hm2 h GLU 60 N 0.74 0.37 0.13 0.04 5.08 -1.31 -2.37 114.58 117.26 3hm2 h GLU 60 Ca 0.18 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3hm2 h GLU 60 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3hm2 h GLU 60 CO -0.02 0.25 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.89 3hm2 h ARG 61 N 0.38 -0.45 -0.56 2.33 9.65 -1.22 0.37 114.38 124.87 3hm2 h ARG 61 Ca 0.15 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.17 3hm2 h ARG 61 Cb 0.04 0.10 -0.11 0.00 -1.39 0.00 0.00 29.97 28.62 3hm2 h ARG 61 CO -0.09 -0.30 -0.12 0.82 2.80 0.00 0.00 179.97 183.07 3hm2 h ILE 62 N -0.47 0.45 0.00 1.20 2.04 -1.28 0.80 117.51 120.26 3hm2 h ILE 62 Ca 0.03 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3hm2 h ILE 62 Cb 0.49 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3hm2 h ILE 62 CO -0.13 0.00 -0.26 0.25 0.00 0.00 0.00 178.15 178.01 3hm2 h LEU 63 N 0.01 0.00 0.71 1.44 5.85 -0.91 0.44 115.31 122.85 3hm2 h LEU 63 Ca 0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3hm2 h LEU 63 Cb 0.42 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.46 3hm2 h LEU 63 CO -0.57 0.26 -0.34 -1.28 -0.34 0.00 0.00 178.44 176.17 3hm2 h SER 64 N 0.00 -0.81 -0.57 1.25 0.87 0.45 0.95 113.55 115.69 3hm2 h SER 64 Ca -0.00 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3hm2 h SER 64 Cb 0.61 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3hm2 h SER 64 CO 0.03 -0.55 0.30 0.78 -0.53 0.00 0.00 176.83 176.86 3hm2 h ASN 65 N -1.00 0.43 -0.38 6.23 -0.26 0.68 1.27 115.58 122.55 3hm2 h ASN 65 Ca -0.10 0.03 0.08 0.00 -0.56 0.00 0.00 56.30 55.75 3hm2 h ASN 65 Cb 0.73 -0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 37.86 3hm2 h ASN 65 CO 0.16 0.29 -0.16 0.00 -1.06 0.00 0.00 177.43 176.66 3hm2 h ALA 66 N 1.30 0.15 -0.09 -0.83 0.00 -0.19 0.95 119.26 120.55 3hm2 h ALA 66 Ca 0.25 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3hm2 h ALA 66 Cb 0.16 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hm2 h ALA 66 CO -0.17 -0.52 -0.08 0.82 0.00 0.00 0.00 179.25 179.29 3hm2 h ILE 67 N -0.08 1.12 0.87 0.00 2.04 0.20 -2.00 117.51 119.66 3hm2 h ILE 67 Ca 0.19 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3hm2 h ILE 67 Cb 0.37 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3hm2 h ILE 67 CO -0.44 0.16 -0.44 0.78 0.00 0.00 0.00 178.15 178.22 3hm2 h ASN 68 N 0.13 -1.05 -0.40 1.72 2.35 0.37 -3.30 115.58 115.41 3hm2 h ASN 68 Ca 0.03 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hm2 h ASN 68 Cb 0.24 0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hm2 h ASN 68 CO 0.01 -0.72 0.00 0.18 -1.65 0.00 0.00 177.43 175.25 3hm2 n LEU 69 N -5.26 3.22 0.00 1.61 4.32 -0.03 -4.94 117.00 115.93 3hm2 n LEU 69 Ca -0.15 -1.63 0.00 0.00 -0.02 0.00 0.00 56.01 54.22 3hm2 n LEU 69 Cb 0.47 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3hm2 n LEU 69 CO 0.35 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 3hm2 n GLY 70 N 0.76 3.12 0.33 -0.72 0.00 -0.77 -4.97 105.19 102.94 3hm2 n GLY 70 Ca 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3hm2 n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hm2 n VAL 71 N 0.00 0.00 -0.15 1.61 0.24 -1.10 -4.23 118.33 114.70 3hm2 n VAL 71 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.49 3hm2 n VAL 71 Cb 0.00 -0.28 0.57 0.00 -1.47 0.00 0.00 33.84 32.66 3hm2 n VAL 71 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3hm2 h SER 72 N 0.19 0.26 0.45 -1.34 4.64 -1.89 0.76 113.55 116.62 3hm2 h SER 72 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3hm2 h SER 72 Cb 0.24 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hm2 h SER 72 CO 0.00 0.13 -0.04 -2.24 -0.87 0.00 0.00 176.83 173.81 3hm2 h ASP 73 N 0.28 0.00 -0.00 4.97 2.03 -1.92 -3.07 116.42 118.70 3hm2 h ASP 73 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 3hm2 h ASP 73 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 3hm2 h ASP 73 CO -0.09 0.04 -0.13 0.54 -1.03 0.00 0.00 179.24 178.57 3hm2 n ARG 74 N -3.27 2.57 -3.70 4.15 1.74 0.26 -4.99 116.66 113.41 3hm2 n ARG 74 Ca -0.01 -0.43 -0.21 0.00 -0.77 0.00 0.00 57.85 56.43 3hm2 n ARG 74 Cb 0.20 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.02 3.25 -0.21 0.55 2.07 -0.62 -2.26 121.20 122.95 3hm2 s ILE 75 Ca 0.05 -1.34 -0.07 0.00 -1.41 0.00 0.00 60.65 57.87 3hm2 s ILE 75 Cb 0.05 -3.12 0.10 0.00 0.13 0.00 0.00 42.46 39.61 3hm2 s ILE 75 CO 0.15 -0.11 0.45 0.00 -1.91 0.00 0.00 174.94 173.52 3hm2 s ALA 76 N -2.36 -1.28 -0.31 1.50 0.00 0.09 -4.93 121.76 114.47 3hm2 s ALA 76 Ca 0.44 1.60 -0.13 0.00 0.00 0.00 0.00 51.96 53.87 3hm2 s ALA 76 Cb -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3hm2 s ALA 76 CO 0.27 -0.80 0.26 0.08 0.00 0.00 0.00 175.76 175.57 3hm2 s VAL 77 N 2.65 5.26 0.52 0.00 1.01 -1.26 -0.68 120.40 127.90 3hm2 s VAL 77 Ca -0.02 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3hm2 s VAL 77 Cb -0.12 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3hm2 s VAL 77 CO -0.14 0.09 0.31 -1.10 0.00 0.00 0.00 175.10 174.26 3hm2 s GLN 78 N 1.82 2.26 0.00 2.72 -1.52 0.31 -4.94 119.66 120.31 3hm2 s GLN 78 Ca 0.08 -2.03 0.00 0.00 -1.95 0.00 0.00 55.36 51.46 3hm2 s GLN 78 Cb -0.17 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 3hm2 s GLN 78 CO 0.11 -0.49 0.00 1.04 -0.25 0.00 0.00 175.29 175.70 3hm2 n GLN 79 N -1.61 0.58 -2.02 2.91 1.13 -1.26 -2.89 117.38 114.23 3hm2 n GLN 79 Ca -0.04 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.70 3hm2 n GLN 79 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.00 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 -1.79 1.91 0.76 1.08 0.00 -1.23 -3.47 107.32 104.58 3hm2 s GLY 80 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 3hm2 s GLY 80 CO 0.00 0.45 1.14 0.00 0.00 0.00 0.00 173.10 174.68 3hm2 s ALA 81 N -2.79 2.78 -1.92 3.20 0.00 -1.26 -1.05 121.76 120.71 3hm2 s ALA 81 Ca 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3hm2 s ALA 81 Cb -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3hm2 s ALA 81 CO 0.43 -1.46 0.96 -2.30 0.00 0.00 0.00 175.76 173.39 3hm2 n PRO 82 N -3.17 1.00 0.08 0.00 -0.02 -1.26 -4.84 135.00 126.79 3hm2 n PRO 82 Ca 0.08 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 3hm2 n PRO 82 Cb 0.60 -1.04 -0.09 0.00 -0.02 0.00 0.00 33.50 32.94 3hm2 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hm2 h ARG 83 N 0.00 0.48 0.00 -0.52 3.08 -1.89 -3.19 114.38 112.33 3hm2 h ARG 83 Ca 0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3hm2 h ARG 83 Cb 0.04 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3hm2 h ARG 83 CO 0.00 1.23 0.00 0.00 -1.07 0.00 0.00 179.97 180.13 3hm2 n ALA 84 N -2.59 1.29 -0.33 0.04 0.00 -0.22 -3.15 120.51 115.55 3hm2 n ALA 84 Ca -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 3hm2 n ALA 84 Cb 0.92 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 19.14 3hm2 n ALA 84 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3hm2 h PHE 85 N 0.00 1.22 0.00 0.00 0.04 -1.82 -0.86 116.94 115.52 3hm2 h PHE 85 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3hm2 h PHE 85 Cb 0.14 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 37.90 3hm2 h PHE 85 CO 0.00 0.84 0.00 -0.40 -0.60 0.00 0.00 178.31 178.15 3hm2 n ASP 86 N -4.35 0.00 -0.16 2.17 5.75 -1.19 -1.17 116.55 117.60 3hm2 n ASP 86 Ca 0.09 -0.17 0.11 0.00 -0.01 0.00 0.00 54.79 54.82 3hm2 n ASP 86 Cb 0.09 -0.16 0.09 0.00 -1.03 0.00 0.00 41.12 40.11 3hm2 n ASP 86 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hm2 n ASP 87 N -1.16 1.13 -4.09 -1.12 8.00 -0.33 -4.60 116.55 114.38 3hm2 n ASP 87 Ca 0.09 -0.92 -0.36 0.00 0.71 0.00 0.00 54.79 54.31 3hm2 n ASP 87 Cb 0.09 0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.79 4.15 0.45 2.53 1.01 -0.32 -4.90 120.40 120.54 3hm2 s VAL 88 Ca 0.14 -3.71 0.40 0.00 0.00 0.00 0.00 61.98 58.81 3hm2 s VAL 88 Cb 0.17 -3.61 0.42 0.00 0.00 0.00 0.00 36.38 33.37 3hm2 s VAL 88 CO 0.69 -1.04 2.22 1.55 0.00 0.00 0.00 175.10 178.53 3hm2 h PRO 89 N 6.18 0.00 -6.18 2.72 0.13 -1.81 -3.40 132.00 129.63 3hm2 h PRO 89 Ca 0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.67 3hm2 h PRO 89 Cb 0.84 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.88 3hm2 h PRO 89 CO 0.82 0.00 0.65 -0.51 -0.23 0.00 0.00 178.00 178.73 3hm2 s ASP 90 N -5.26 6.66 0.41 1.44 1.01 -1.26 -5.01 116.67 114.66 3hm2 s ASP 90 Ca -0.03 0.53 -0.26 0.00 0.71 0.00 0.00 52.55 53.50 3hm2 s ASP 90 Cb 0.11 -2.48 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 3hm2 s ASP 90 CO 0.44 -0.93 1.22 0.59 0.21 0.00 0.00 175.17 176.70 3hm2 n ASN 91 N 6.96 2.34 -4.82 0.27 5.03 -1.26 -5.01 115.26 118.77 3hm2 n ASN 91 Ca 0.08 1.11 -0.36 0.00 0.87 0.00 0.00 54.58 56.28 3hm2 n ASN 91 Cb 0.48 -1.47 -0.06 0.00 -1.02 0.00 0.00 39.78 37.71 3hm2 n ASN 91 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3hm2 s PRO 92 N -2.12 4.20 0.16 3.52 0.05 -1.26 -4.97 135.00 134.57 3hm2 s PRO 92 Ca 0.61 0.80 0.14 0.00 0.05 0.00 0.00 61.00 62.60 3hm2 s PRO 92 Cb -0.53 -2.87 -0.07 0.00 0.05 0.00 0.00 34.50 31.09 3hm2 s PRO 92 CO 0.58 0.40 1.14 -0.44 0.05 0.00 0.00 177.00 178.74 3hm2 h ASP 93 N 3.39 0.00 -4.86 6.66 3.32 -1.74 -3.38 116.42 119.81 3hm2 h ASP 93 Ca -0.48 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.42 3hm2 h ASP 93 Cb 1.19 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 3hm2 h ASP 93 CO 0.65 0.63 -0.50 -0.69 -1.72 0.00 0.00 179.24 177.61 3hm2 s VAL 94 N -2.89 0.08 -0.14 -1.35 1.01 -1.08 -1.94 120.40 114.09 3hm2 s VAL 94 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3hm2 s VAL 94 Cb 0.08 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3hm2 s VAL 94 CO 0.79 -0.35 -0.08 -0.63 0.00 0.00 0.00 175.10 174.83 3hm2 s ILE 95 N -1.25 1.17 -0.14 2.22 1.01 0.39 -2.51 121.20 122.09 3hm2 s ILE 95 Ca -0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 3hm2 s ILE 95 Cb -0.07 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3hm2 s ILE 95 CO 0.01 0.31 0.14 0.12 0.00 0.00 0.00 174.94 175.52 3hm2 s PHE 96 N 1.64 3.56 0.00 3.97 5.36 0.12 -0.94 117.98 131.69 3hm2 s PHE 96 Ca 0.04 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 3hm2 s PHE 96 Cb -0.13 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 3hm2 s PHE 96 CO -0.08 0.65 0.00 -0.89 -1.46 0.00 0.00 175.22 173.43 3hm2 n ILE 97 N 2.29 0.00 -0.26 3.12 5.41 -0.74 0.05 119.36 129.23 3hm2 n ILE 97 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3hm2 n ILE 97 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 3hm2 n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hm2 n LEU 101 N 0.00 0.00 0.01 1.39 -0.00 -1.26 -3.42 117.00 113.72 3hm2 n LEU 101 Ca 0.00 -0.06 0.13 0.00 -0.00 0.00 0.00 56.01 56.08 3hm2 n LEU 101 Cb 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 43.89 3hm2 n LEU 101 CO 0.00 0.29 0.77 0.35 -0.00 0.00 0.00 177.39 178.80 3hm2 n THR 102 N 0.00 0.04 -1.73 1.47 -2.24 -1.26 -4.07 114.28 106.49 3hm2 n THR 102 Ca 0.00 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 3hm2 n THR 102 Cb 0.06 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.01 2.37 -0.08 6.98 0.00 -1.26 -4.87 121.76 121.89 3hm2 s ALA 103 Ca 0.13 1.21 -0.39 0.00 0.00 0.00 0.00 51.96 52.90 3hm2 s ALA 103 Cb 0.18 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 3hm2 s ALA 103 CO 0.60 -1.61 1.39 -2.30 0.00 0.00 0.00 175.76 173.83 3hm2 n PRO 104 N -1.93 0.74 -0.23 0.00 -0.02 -1.26 -1.11 135.00 131.18 3hm2 n PRO 104 Ca 0.16 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3hm2 n PRO 104 Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.78 0.00 0.28 -1.23 0.00 -1.26 -4.75 105.19 101.01 3hm2 n GLY 105 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 0.51 -0.07 1.61 2.07 -1.44 -2.42 116.25 116.52 3hm2 h VAL 106 Ca 0.00 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.07 3hm2 h VAL 106 Cb 0.00 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hm2 h VAL 106 CO 0.00 0.04 -0.89 0.15 0.02 0.00 0.00 177.57 176.89 3hm2 h PHE 107 N -0.77 0.93 0.00 1.57 3.57 -1.72 -3.27 116.94 117.25 3hm2 h PHE 107 Ca -0.07 -0.46 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 3hm2 h PHE 107 Cb 0.55 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3hm2 h PHE 107 CO -0.01 1.28 -0.10 0.00 -2.23 0.00 0.00 178.31 177.25 3hm2 h ALA 108 N 0.58 1.44 0.00 2.41 0.00 -1.92 -2.88 119.26 118.89 3hm2 h ALA 108 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hm2 h ALA 108 Cb 1.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3hm2 h ALA 108 CO 0.17 0.12 -0.60 0.00 0.00 0.00 0.00 179.25 178.95 3hm2 h ALA 109 N 1.90 0.73 0.05 0.00 0.00 -1.48 -2.73 119.26 117.73 3hm2 h ALA 109 Ca -0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 3hm2 h ALA 109 Cb 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hm2 h ALA 109 CO 0.01 0.19 -2.17 0.00 0.00 0.00 0.00 179.25 177.28 3hm2 n ALA 110 N -2.18 1.12 -0.32 0.00 0.00 -1.18 -3.78 120.51 114.16 3hm2 n ALA 110 Ca 0.01 -0.83 0.23 0.00 0.00 0.00 0.00 53.44 52.84 3hm2 n ALA 110 Cb 0.60 -0.37 0.50 0.00 0.00 0.00 0.00 19.45 20.18 3hm2 n ALA 110 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hm2 h TRP 111 N -0.15 0.67 0.00 0.00 2.91 -1.63 2.85 115.95 120.59 3hm2 h TRP 111 Ca -0.50 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.53 3hm2 h TRP 111 Cb 1.88 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 30.33 3hm2 h TRP 111 CO 0.05 0.06 -0.04 -0.22 -1.03 0.00 0.00 178.44 177.25 3hm2 h LYS 112 N 0.40 0.00 -0.02 2.65 3.64 -1.58 -0.54 116.57 121.12 3hm2 h LYS 112 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3hm2 h LYS 112 Cb 1.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3hm2 h LYS 112 CO -0.31 0.04 -0.17 0.54 -2.27 0.00 0.00 179.45 177.29 3hm2 n ARG 113 N -3.84 1.90 -2.71 1.90 5.12 0.92 -4.84 116.66 115.11 3hm2 n ARG 113 Ca -0.03 -1.57 -0.43 0.00 -1.93 0.00 0.00 57.85 53.89 3hm2 n ARG 113 Cb 0.13 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 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 -2.14 3.82 0.56 0.55 2.96 0.58 -4.13 118.68 120.89 3hm2 s LEU 114 Ca 0.24 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 3hm2 s LEU 114 Cb 0.19 -3.37 -0.08 0.00 0.50 0.00 0.00 46.19 43.43 3hm2 s LEU 114 CO 0.39 -1.15 0.73 -2.65 -1.32 0.00 0.00 176.35 172.35 3hm2 n PRO 115 N 7.49 0.73 -1.78 0.98 -0.02 -1.26 -4.88 135.00 136.26 3hm2 n PRO 115 Ca 0.09 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 3hm2 n PRO 115 Cb 0.49 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 3hm2 n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hm2 s VAL 116 N -1.59 2.02 0.00 -1.45 1.01 -1.26 -1.28 120.40 117.85 3hm2 s VAL 116 Ca 0.71 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3hm2 s VAL 116 Cb -0.45 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3hm2 s VAL 116 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3hm2 n GLY 117 N 0.57 2.95 3.64 4.51 0.00 -0.39 -4.99 105.19 111.47 3hm2 n GLY 117 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.59 1.56 0.08 -0.02 0.00 -0.41 -4.53 107.32 102.41 3hm2 s GLY 118 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.43 3hm2 s GLY 118 CO 0.00 0.30 -0.16 0.50 0.00 0.00 0.00 173.10 173.74 3hm2 s ARG 119 N -4.87 0.91 0.03 2.90 0.52 -0.82 0.71 118.95 118.33 3hm2 s ARG 119 Ca 0.66 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 3hm2 s ARG 119 Cb -0.20 -0.99 -0.02 0.00 0.52 0.00 0.00 34.95 34.26 3hm2 s ARG 119 CO 0.59 0.22 -0.07 -1.17 0.02 0.00 0.00 175.30 174.89 3hm2 s LEU 120 N -1.78 2.20 0.00 2.53 0.20 0.20 -0.46 118.68 121.56 3hm2 s LEU 120 Ca 0.00 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.38 3hm2 s LEU 120 Cb -0.10 -0.17 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 3hm2 s LEU 120 CO 0.03 -0.15 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.23 3hm2 s VAL 121 N -1.10 0.15 -0.23 1.68 1.01 -0.11 -2.21 120.40 119.59 3hm2 s VAL 121 Ca -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3hm2 s VAL 121 Cb -0.08 -0.15 0.12 0.00 0.00 0.00 0.00 36.38 36.27 3hm2 s VAL 121 CO 0.00 -0.01 0.37 0.00 0.00 0.00 0.00 175.10 175.46 3hm2 s ALA 122 N -0.17 -1.02 0.84 5.51 0.00 -0.97 -1.79 121.76 124.16 3hm2 s ALA 122 Ca -0.01 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3hm2 s ALA 122 Cb -0.02 -1.55 0.10 0.00 0.00 0.00 0.00 23.12 21.65 3hm2 s ALA 122 CO -0.00 -1.13 1.15 -0.80 0.00 0.00 0.00 175.76 174.99 3hm2 s ASN 123 N 2.54 4.19 -0.27 0.00 -0.87 -1.22 -1.81 114.94 117.49 3hm2 s ASN 123 Ca 0.09 0.90 -0.07 0.00 -1.57 0.00 0.00 52.86 52.21 3hm2 s ASN 123 Cb -0.15 -1.46 0.13 0.00 -0.02 0.00 0.00 41.25 39.75 3hm2 s ASN 123 CO -0.15 -2.12 0.57 0.00 -2.57 0.00 0.00 177.10 172.84 3hm2 s ALA 124 N -3.43 -1.82 -0.12 0.60 0.00 0.05 -4.70 121.76 112.34 3hm2 s ALA 124 Ca 0.62 1.99 0.15 0.00 0.00 0.00 0.00 51.96 54.72 3hm2 s ALA 124 Cb -0.13 -1.73 0.34 0.00 0.00 0.00 0.00 23.12 21.61 3hm2 s ALA 124 CO 0.51 -0.97 1.17 1.55 0.00 0.00 0.00 175.76 178.02 3hm2 n VAL 125 N 5.43 1.43 -4.12 0.00 3.14 -1.26 -1.08 118.33 121.87 3hm2 n VAL 125 Ca -0.09 -2.19 -0.09 0.00 -2.96 0.00 0.00 64.34 59.01 3hm2 n VAL 125 Cb 0.49 0.09 -0.10 0.00 -1.06 0.00 0.00 33.84 33.27 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 -2.13 0.13 0.36 1.55 -4.23 -1.26 -4.93 115.64 105.13 3hm2 s THR 126 Ca 0.31 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.06 3hm2 s THR 126 Cb 0.31 -1.90 0.14 0.00 1.34 0.00 0.00 72.50 72.39 3hm2 s THR 126 CO -0.06 -0.59 1.87 0.58 -0.54 0.00 0.00 174.62 175.88 3hm2 h VAL 127 N 2.92 1.21 0.43 2.29 2.07 -1.97 0.89 116.25 124.08 3hm2 h VAL 127 Ca -0.35 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3hm2 h VAL 127 Cb 1.19 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3hm2 h VAL 127 CO 0.60 0.29 -0.21 -0.33 0.02 0.00 0.00 177.57 177.94 3hm2 h GLU 128 N 0.27 -0.56 -0.08 1.57 3.07 -1.97 0.42 114.58 117.30 3hm2 h GLU 128 Ca 0.05 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 3hm2 h GLU 128 Cb 0.45 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 3hm2 h GLU 128 CO 0.03 -0.30 -0.15 0.77 -1.40 0.00 0.00 179.01 177.96 3hm2 h SER 129 N -0.72 -0.44 0.19 1.42 0.02 -1.87 -3.10 113.55 109.06 3hm2 h SER 129 Ca -0.06 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3hm2 h SER 129 Cb 0.51 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3hm2 h SER 129 CO 0.10 -0.19 -0.09 -0.08 -1.14 0.00 0.00 176.83 175.42 3hm2 h GLU 130 N -0.20 -0.25 -0.15 3.45 4.81 0.75 0.72 114.58 123.71 3hm2 h GLU 130 Ca 0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hm2 h GLU 130 Cb 0.31 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3hm2 h GLU 130 CO -0.20 -0.11 0.00 1.04 -0.73 0.00 0.00 179.01 179.01 3hm2 n GLN 131 N -5.17 0.00 0.00 1.92 6.02 0.15 -0.94 117.38 119.36 3hm2 n GLN 131 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3hm2 n GLN 131 Cb 0.15 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.71 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 0.23 0.00 0.07 1.08 4.77 0.25 -2.23 117.00 121.17 3hm2 n LEU 133 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3hm2 n LEU 133 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 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 -0.11 -0.09 -1.77 -0.00 -1.28 -3.01 115.95 109.68 3hm2 h TRP 134 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 3hm2 h TRP 134 Cb 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.19 3hm2 h TRP 134 CO 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 178.44 178.56 3hm2 h ALA 135 N 0.66 2.01 0.00 1.49 0.00 -1.73 -2.29 119.26 119.40 3hm2 h ALA 135 Ca -0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3hm2 h ALA 135 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hm2 h ALA 135 CO 0.02 -0.03 -0.84 -0.07 0.00 0.00 0.00 179.25 178.33 3hm2 h LEU 136 N 0.06 0.07 -0.50 0.00 3.38 -1.84 -3.18 115.31 113.31 3hm2 h LEU 136 Ca 0.04 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3hm2 h LEU 136 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hm2 h LEU 136 CO -0.00 0.88 -0.18 -0.09 0.09 0.00 0.00 178.44 179.14 3hm2 h ARG 137 N 0.03 1.00 -0.31 1.13 2.43 -1.28 0.85 114.38 118.23 3hm2 h ARG 137 Ca -0.02 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.68 3hm2 h ARG 137 Cb 1.48 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 3hm2 h ARG 137 CO 0.12 1.09 -0.03 -0.22 -1.51 0.00 0.00 179.97 179.41 3hm2 h LYS 138 N 0.86 0.56 -0.53 0.20 3.64 -1.65 0.72 116.57 120.37 3hm2 h LYS 138 Ca 0.12 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3hm2 h LYS 138 Cb 0.76 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 3hm2 h LYS 138 CO 0.06 0.73 0.20 0.37 -2.27 0.00 0.00 179.45 178.54 3hm2 h GLN 139 N 0.35 0.80 0.00 1.90 4.15 -1.49 -3.38 115.11 117.44 3hm2 h GLN 139 Ca 0.08 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3hm2 h GLN 139 Cb 0.50 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3hm2 h GLN 139 CO 0.02 0.71 -0.81 1.19 -1.93 0.00 0.00 178.83 178.01 3hm2 n PHE 140 N -4.51 0.00 -1.38 3.99 3.72 0.29 -5.10 117.46 114.47 3hm2 n PHE 140 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3hm2 n PHE 140 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 2.09 -1.15 1.83 1.37 0.00 0.25 -4.84 105.19 104.74 3hm2 n GLY 141 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.48 3.56 -0.02 0.00 -1.26 -4.49 105.19 100.50 3hm2 n GLY 142 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.67 3.37 0.09 2.61 2.01 1.61 -4.86 115.64 119.80 3hm2 s THR 143 Ca 0.00 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.05 3hm2 s THR 143 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 3hm2 s THR 143 CO 0.00 0.29 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.45 3hm2 s ILE 144 N -1.05 3.12 0.19 1.82 -1.09 -1.26 0.32 121.20 123.24 3hm2 s ILE 144 Ca 0.18 -1.29 -0.06 0.00 -2.23 0.00 0.00 60.65 57.25 3hm2 s ILE 144 Cb -0.11 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 3hm2 s ILE 144 CO 0.09 0.17 0.25 -0.44 -1.23 0.00 0.00 174.94 173.78 3hm2 s SER 145 N -1.98 0.08 0.03 3.58 0.01 0.06 -4.96 113.70 110.53 3hm2 s SER 145 Ca 0.19 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.38 3hm2 s SER 145 Cb -0.11 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 3hm2 s SER 145 CO 0.10 -0.91 -0.06 -0.94 0.41 0.00 0.00 173.24 171.85 3hm2 s SER 146 N -3.05 0.62 -0.12 2.44 1.04 -1.26 -0.85 113.70 112.51 3hm2 s SER 146 Ca 0.26 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3hm2 s SER 146 Cb 0.04 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3hm2 s SER 146 CO 0.06 -0.20 -0.11 -0.36 0.98 0.00 0.00 173.24 173.61 3hm2 s PHE 147 N -1.26 1.75 -0.24 5.02 0.08 -0.09 -4.98 117.98 118.27 3hm2 s PHE 147 Ca -0.11 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.02 3hm2 s PHE 147 Cb -0.09 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3hm2 s PHE 147 CO -0.00 -0.56 -0.08 0.00 -0.10 0.00 0.00 175.22 174.48 3hm2 s ALA 148 N 1.55 2.65 0.01 5.36 0.00 -1.26 -2.95 121.76 127.11 3hm2 s ALA 148 Ca 0.04 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.67 3hm2 s ALA 148 Cb -0.13 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 3hm2 s ALA 148 CO -0.08 -0.72 -0.24 0.42 0.00 0.00 0.00 175.76 175.14 3hm2 s ILE 149 N 1.33 2.28 0.07 0.00 1.01 -1.26 -5.04 121.20 119.58 3hm2 s ILE 149 Ca 0.01 -1.17 0.09 0.00 0.00 0.00 0.00 60.65 59.58 3hm2 s ILE 149 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3hm2 s ILE 149 CO -0.06 0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.69 3hm2 s SER 150 N -0.92 2.84 0.24 3.58 0.01 -1.26 -0.91 113.70 117.27 3hm2 s SER 150 Ca 0.11 -0.61 0.09 0.00 1.31 0.00 0.00 55.95 56.85 3hm2 s SER 150 Cb -0.10 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 3hm2 s SER 150 CO 0.01 0.17 -0.14 -1.00 0.41 0.00 0.00 173.24 172.69 3hm2 s HIS 151 N -0.91 1.90 0.33 2.43 0.09 0.11 -4.82 115.29 114.41 3hm2 s HIS 151 Ca 0.10 -0.54 -0.29 0.00 -0.00 0.00 0.00 55.06 54.33 3hm2 s HIS 151 Cb -0.10 -0.91 -0.11 0.00 -0.00 0.00 0.00 32.58 31.46 3hm2 s HIS 151 CO 0.03 0.43 1.52 -1.21 -0.00 0.00 0.00 174.74 175.51 3hm2 s GLU 152 N -3.63 4.14 -0.29 1.40 2.02 -1.26 -0.76 118.70 120.32 3hm2 s GLU 152 Ca 0.26 2.53 -0.03 0.00 0.02 0.00 0.00 54.97 57.75 3hm2 s GLU 152 Cb -0.01 -3.01 0.11 0.00 0.10 0.00 0.00 34.13 31.32 3hm2 s GLU 152 CO 0.10 -0.55 0.18 -1.58 0.02 0.00 0.00 175.26 173.43 3hm2 s HIS 153 N -0.54 0.10 -0.72 1.61 2.46 -0.45 -4.82 115.29 112.93 3hm2 s HIS 153 Ca 0.58 -0.68 -0.26 0.00 0.47 0.00 0.00 55.06 55.16 3hm2 s HIS 153 Cb -0.46 -0.78 0.04 0.00 -0.13 0.00 0.00 32.58 31.25 3hm2 s HIS 153 CO 0.54 -0.85 1.20 0.99 -2.47 0.00 0.00 174.74 174.15 3hm2 s THR 154 N 2.17 3.88 -1.07 0.89 2.01 -1.26 -2.41 115.64 119.85 3hm2 s THR 154 Ca 0.09 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 3hm2 s THR 154 Cb -0.15 -4.86 0.13 0.00 0.01 0.00 0.00 72.50 67.62 3hm2 s THR 154 CO -0.36 -1.76 1.33 -0.69 -0.69 0.00 0.00 174.62 172.45 3hm2 s VAL 155 N 5.31 4.66 0.00 3.82 1.01 -0.21 -4.91 120.40 130.07 3hm2 s VAL 155 Ca 0.32 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.45 3hm2 s VAL 155 Cb -0.10 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.38 3hm2 s VAL 155 CO 0.14 -1.66 0.00 0.61 0.00 0.00 0.00 175.10 174.19 3hm2 n GLY 156 N 5.23 1.86 0.47 4.51 0.00 -1.26 -2.48 105.19 113.52 3hm2 n GLY 156 Ca 0.32 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 8.52 1.63 -4.76 1.61 3.41 -1.26 -4.96 113.62 117.81 3hm2 n SER 157 Ca 0.00 -1.35 -0.31 0.00 -0.26 0.00 0.00 58.87 56.95 3hm2 n SER 157 Cb 0.00 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.26 3.17 -0.06 7.33 0.08 -1.03 -5.12 117.98 120.08 3hm2 s PHE 158 Ca 0.28 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.44 3hm2 s PHE 158 Cb 0.20 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3hm2 s PHE 158 CO 0.44 0.52 -0.10 0.42 -0.10 0.00 0.00 175.22 176.39 3hm2 s ILE 159 N -1.31 3.44 0.00 0.64 -1.09 -1.26 -1.04 121.20 120.58 3hm2 s ILE 159 Ca 0.27 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 3hm2 s ILE 159 Cb -0.12 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 3hm2 s ILE 159 CO 0.19 0.59 0.00 0.35 -1.23 0.00 0.00 174.94 174.84 3hm2 n THR 160 N 2.29 0.00 -3.24 2.92 -2.24 -1.01 -4.96 114.28 108.04 3hm2 n THR 160 Ca -0.18 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 3hm2 n THR 160 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 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 3.61 0.41 0.13 -0.78 2.20 0.06 -1.34 119.74 124.03 3hm2 s LYS 162 Ca 0.00 0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 56.13 3hm2 s LYS 162 Cb 0.00 0.46 -0.07 0.00 -1.51 0.00 0.00 37.83 36.71 3hm2 s LYS 162 CO 0.00 -0.36 0.90 -2.14 -0.36 0.00 0.00 175.35 173.38 3hm2 s PRO 163 N 2.83 4.68 0.26 4.03 0.02 -1.26 0.08 135.00 145.65 3hm2 s PRO 163 Ca 0.08 1.35 -0.04 0.00 0.02 0.00 0.00 61.00 62.40 3hm2 s PRO 163 Cb -0.12 -3.34 0.06 0.00 0.02 0.00 0.00 34.50 31.13 3hm2 s PRO 163 CO -0.17 0.34 0.31 0.00 -0.33 0.00 0.00 177.00 177.15 3hm2 n ALA 164 N 2.35 -0.53 -1.77 -1.55 0.00 -0.09 -4.96 120.51 113.96 3hm2 n ALA 164 Ca -0.01 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3hm2 n ALA 164 Cb 0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 3hm2 n ALA 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hm2 s LEU 165 N 0.00 4.61 -0.10 0.00 1.43 -1.26 -4.83 118.68 118.53 3hm2 s LEU 165 Ca 0.18 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 3hm2 s LEU 165 Cb -0.01 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3hm2 s LEU 165 CO 0.13 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 175.76 3hm2 s PRO 166 N -1.25 4.34 -0.35 1.29 0.04 -1.26 -4.87 135.00 132.94 3hm2 s PRO 166 Ca 0.42 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 3hm2 s PRO 166 Cb -0.28 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 3hm2 s PRO 166 CO 0.35 -0.48 0.27 0.08 0.04 0.00 0.00 177.00 177.26 3hm2 s VAL 167 N 2.48 5.26 0.49 -0.36 1.01 -1.15 -4.50 120.40 123.63 3hm2 s VAL 167 Ca 0.53 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 3hm2 s VAL 167 Cb -0.22 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3hm2 s VAL 167 CO 0.19 -0.07 0.89 -1.00 0.00 0.00 0.00 175.10 175.11 3hm2 s HIS 168 N 1.76 3.50 -0.12 5.22 3.76 -0.24 -0.91 115.29 128.25 3hm2 s HIS 168 Ca 0.07 1.21 -0.06 0.00 -0.15 0.00 0.00 55.06 56.13 3hm2 s HIS 168 Cb -0.17 -2.60 0.05 0.00 1.11 0.00 0.00 32.58 30.97 3hm2 s HIS 168 CO 0.11 -0.31 0.29 -1.14 -0.85 0.00 0.00 174.74 172.84 3hm2 s GLN 169 N -4.23 0.25 -0.17 1.40 0.74 -0.03 -0.77 119.66 116.85 3hm2 s GLN 169 Ca 0.54 0.61 -0.07 0.00 0.05 0.00 0.00 55.36 56.49 3hm2 s GLN 169 Cb -0.10 -0.09 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 3hm2 s GLN 169 CO 0.36 -0.17 0.05 -0.46 -0.55 0.00 0.00 175.29 174.53 3hm2 s TRP 170 N 1.34 3.24 -0.19 1.67 -0.00 -0.75 -0.76 118.94 123.49 3hm2 s TRP 170 Ca -0.09 0.06 0.01 0.00 -0.00 0.00 0.00 56.10 56.08 3hm2 s TRP 170 Cb -0.10 -2.05 0.03 0.00 -0.00 0.00 0.00 33.47 31.35 3hm2 s TRP 170 CO -0.10 0.17 -0.16 0.99 -0.00 0.00 0.00 176.95 177.85 3hm2 s THR 171 N 0.27 1.96 -0.08 5.86 2.01 0.95 -2.30 115.64 124.31 3hm2 s THR 171 Ca 0.03 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.98 3hm2 s THR 171 Cb -0.12 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.53 3hm2 s THR 171 CO 0.00 0.36 -0.08 0.54 -0.69 0.00 0.00 174.62 174.76 3hm2 s VAL 172 N 1.29 0.94 -0.14 3.82 0.11 -0.94 0.46 120.40 125.94 3hm2 s VAL 172 Ca 0.01 -0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.50 3hm2 s VAL 172 Cb -0.15 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 3hm2 s VAL 172 CO -0.10 0.33 0.91 -0.69 -3.33 0.00 0.00 175.10 172.22 3hm2 s VAL 173 N 1.27 4.84 0.47 2.04 1.01 -1.26 -0.63 120.40 128.15 3hm2 s VAL 173 Ca -0.04 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 63.56 3hm2 s VAL 173 Cb -0.14 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 3hm2 s VAL 173 CO -0.03 0.03 0.99 -0.75 0.00 0.00 0.00 175.10 175.34 3hm2 s LYS 174 N 2.03 3.99 0.00 2.72 2.20 0.22 -4.84 119.74 126.06 3hm2 s LYS 174 Ca 0.43 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 3hm2 s LYS 174 Cb -0.17 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 3hm2 s LYS 174 CO 0.15 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 174.89