#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 2.13 -0.02 1.61 -0.00 -1.26 -4.66 117.38 115.18 3hm2 n GLN 4 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.10 3hm2 n GLN 4 Cb 0.00 -0.83 0.51 0.00 -0.00 0.00 0.00 30.24 29.92 3hm2 n GLN 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3hm2 n LEU 5 N -1.06 0.45 -0.34 2.61 -0.00 -1.26 -2.77 117.00 114.62 3hm2 n LEU 5 Ca 0.00 -0.19 0.16 0.00 -0.00 0.00 0.00 56.01 55.98 3hm2 n LEU 5 Cb 0.05 -0.03 0.36 0.00 -0.00 0.00 0.00 43.42 43.80 3hm2 n LEU 5 CO 0.00 0.09 1.16 0.74 -0.00 0.00 0.00 177.39 179.38 3hm2 h THR 6 N 0.61 0.57 0.00 1.47 2.02 -2.03 -1.69 112.91 113.86 3hm2 h THR 6 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hm2 h THR 6 Cb 0.13 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3hm2 h THR 6 CO 0.00 0.11 -0.04 0.50 0.37 0.00 0.00 175.52 176.46 3hm2 h LYS 7 N 0.60 0.00 -0.08 6.66 3.64 -1.89 -3.10 116.57 122.40 3hm2 h LYS 7 Ca 0.62 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.87 3hm2 h LYS 7 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3hm2 h LYS 7 CO -0.46 0.00 -0.55 0.37 -2.27 0.00 0.00 179.45 176.54 3hm2 h GLN 8 N 0.00 0.23 -0.27 1.90 4.15 -1.50 -2.87 115.11 116.76 3hm2 h GLN 8 Ca 0.00 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 3hm2 h GLN 8 Cb 0.76 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3hm2 h GLN 8 CO 0.00 0.72 0.01 0.45 -1.93 0.00 0.00 178.83 178.08 3hm2 h HIS 9 N 0.18 0.50 0.61 3.99 3.86 -1.54 -2.41 115.15 120.34 3hm2 h HIS 9 Ca 0.00 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3hm2 h HIS 9 Cb 1.02 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.36 3hm2 h HIS 9 CO 0.02 0.61 -0.29 0.28 0.86 0.00 0.00 177.93 179.40 3hm2 h VAL 10 N 0.25 0.33 0.00 2.45 2.07 -1.67 -1.65 116.25 118.05 3hm2 h VAL 10 Ca 0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hm2 h VAL 10 Cb 0.40 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3hm2 h VAL 10 CO 0.01 0.03 0.27 -0.09 0.02 0.00 0.00 177.57 177.81 3hm2 h ARG 11 N -0.97 0.00 0.14 1.57 2.43 -1.60 0.21 114.38 116.17 3hm2 h ARG 11 Ca -0.08 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.80 3hm2 h ARG 11 Cb 0.67 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3hm2 h ARG 11 CO 0.14 0.00 -1.26 0.00 -1.51 0.00 0.00 179.97 177.34 3hm2 h ALA 12 N 1.38 0.05 0.00 2.80 0.00 -0.82 -3.04 119.26 119.63 3hm2 h ALA 12 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 3hm2 h ALA 12 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hm2 h ALA 12 CO 0.00 0.81 -0.96 -0.07 0.00 0.00 0.00 179.25 179.03 3hm2 h LEU 13 N 0.16 0.00 0.02 0.00 3.38 0.19 -2.46 115.31 116.61 3hm2 h LEU 13 Ca -0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hm2 h LEU 13 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3hm2 h LEU 13 CO 0.22 0.20 -0.01 0.00 0.09 0.00 0.00 178.44 178.95 3hm2 h ALA 14 N 1.80 -0.03 0.00 1.53 0.00 -1.07 -2.03 119.26 119.45 3hm2 h ALA 14 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hm2 h ALA 14 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hm2 h ALA 14 CO 0.02 -0.05 0.00 0.82 0.00 0.00 0.00 179.25 180.04 3hm2 h ILE 15 N -0.97 0.00 0.10 0.00 1.08 -1.64 0.71 117.51 116.79 3hm2 h ILE 15 Ca -0.00 -0.10 -0.27 0.00 -0.39 0.00 0.00 64.86 64.10 3hm2 h ILE 15 Cb 0.61 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3hm2 h ILE 15 CO 0.01 0.00 -1.25 -1.28 -0.69 0.00 0.00 178.15 174.93 3hm2 h SER 16 N 0.00 0.35 0.56 1.72 0.87 -1.51 -2.73 113.55 112.81 3hm2 h SER 16 Ca 0.00 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.11 3hm2 h SER 16 Cb 0.11 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3hm2 h SER 16 CO 0.00 1.31 -0.30 0.00 -0.53 0.00 0.00 176.83 177.30 3hm2 h ALA 17 N 0.64 1.20 0.00 6.23 0.00 0.99 -3.02 119.26 125.30 3hm2 h ALA 17 Ca -0.13 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 3hm2 h ALA 17 Cb 1.95 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3hm2 h ALA 17 CO 0.18 0.38 -1.24 -0.07 0.00 0.00 0.00 179.25 178.50 3hm2 h LEU 18 N 0.00 0.00 -2.65 0.00 3.38 -0.50 -3.48 115.31 112.06 3hm2 h LEU 18 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3hm2 h LEU 18 Cb 0.67 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.56 3hm2 h LEU 18 CO 0.04 0.82 -0.77 0.00 0.09 0.00 0.00 178.44 178.62 3hm2 n ALA 19 N -2.40 -2.51 -1.62 1.53 0.00 -1.03 -4.75 120.51 109.72 3hm2 n ALA 19 Ca -0.07 0.02 -0.49 0.00 0.00 0.00 0.00 53.44 52.90 3hm2 n ALA 19 Cb 0.92 -4.72 -0.05 0.00 0.00 0.00 0.00 19.45 15.60 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 -3.24 1.56 -4.81 0.00 -0.02 -1.26 -4.98 135.00 122.25 3hm2 n PRO 20 Ca -0.07 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.72 3hm2 n PRO 20 Cb 0.60 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.51 1.43 0.30 -0.52 1.02 -1.26 -4.99 119.74 116.23 3hm2 s LYS 21 Ca 0.80 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 3hm2 s LYS 21 Cb -0.83 -1.41 -0.13 0.00 -0.52 0.00 0.00 37.83 34.94 3hm2 s LYS 21 CO 0.44 0.38 1.29 -2.30 -0.92 0.00 0.00 175.35 174.25 3hm2 n PRO 22 N 2.48 1.99 -0.03 -1.68 -0.02 -1.26 -1.74 135.00 134.74 3hm2 n PRO 22 Ca -0.15 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hm2 n PRO 22 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.85 0.00 -2.75 6.00 8.25 0.48 -4.92 115.22 123.12 3hm2 n HIS 23 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 3hm2 n HIS 23 Cb 0.34 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.19 4.30 -0.19 -0.41 2.02 -0.71 -4.81 118.70 118.71 3hm2 s GLU 24 Ca 0.00 1.25 -0.01 0.00 0.02 0.00 0.00 54.97 56.23 3hm2 s GLU 24 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.83 3hm2 s GLU 24 CO 0.00 0.02 -0.14 0.99 0.02 0.00 0.00 175.26 176.15 3hm2 s THR 25 N -1.93 2.64 0.14 3.63 2.01 -1.26 -0.35 115.64 120.52 3hm2 s THR 25 Ca 0.58 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 3hm2 s THR 25 Cb -0.14 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 3hm2 s THR 25 CO 0.18 0.50 0.43 -0.22 -0.69 0.00 0.00 174.62 174.82 3hm2 s LEU 26 N 1.22 4.28 -0.21 4.42 2.96 0.13 -1.03 118.68 130.44 3hm2 s LEU 26 Ca 0.02 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 54.66 3hm2 s LEU 26 Cb -0.14 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 3hm2 s LEU 26 CO -0.06 0.08 -0.04 0.26 -1.32 0.00 0.00 176.35 175.26 3hm2 s TRP 27 N -1.58 2.96 -0.50 5.38 0.52 -0.18 -1.10 118.94 124.44 3hm2 s TRP 27 Ca 0.39 -0.83 -0.14 0.00 0.02 0.00 0.00 56.10 55.54 3hm2 s TRP 27 Cb -0.13 -2.09 0.11 0.00 -1.15 0.00 0.00 33.47 30.21 3hm2 s TRP 27 CO 0.21 -0.47 0.43 0.34 0.02 0.00 0.00 176.95 177.48 3hm2 s ASP 28 N 1.32 6.07 -0.28 2.95 2.15 -0.89 0.15 116.67 128.13 3hm2 s ASP 28 Ca 0.04 -1.65 -0.16 0.00 0.43 0.00 0.00 52.55 51.22 3hm2 s ASP 28 Cb -0.14 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 3hm2 s ASP 28 CO -0.02 -0.75 0.41 -0.63 -0.17 0.00 0.00 175.17 174.02 3hm2 s ILE 29 N 1.57 5.14 0.00 4.11 1.01 0.61 -2.07 121.20 131.56 3hm2 s ILE 29 Ca 0.04 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3hm2 s ILE 29 Cb -0.27 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3hm2 s ILE 29 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3hm2 n GLY 30 N 4.67 2.38 0.00 6.18 0.00 -1.01 -1.99 105.19 115.42 3hm2 n GLY 30 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.13 -0.02 0.00 -1.26 -4.84 105.19 99.20 3hm2 n GLY 34 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.44 0.09 1.61 4.64 -1.99 -3.06 113.55 115.27 3hm2 h SER 35 Ca 0.00 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hm2 h SER 35 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3hm2 h SER 35 CO 0.00 1.25 -0.04 0.40 -0.87 0.00 0.00 176.83 177.57 3hm2 h ILE 36 N 0.14 0.95 -0.96 0.95 1.08 -1.96 0.52 117.51 118.23 3hm2 h ILE 36 Ca -0.10 -0.12 0.18 0.00 -0.39 0.00 0.00 64.86 64.43 3hm2 h ILE 36 Cb 1.74 1.03 -0.09 0.00 -3.07 0.00 0.00 36.82 36.43 3hm2 h ILE 36 CO 0.18 0.03 0.61 0.00 -0.69 0.00 0.00 178.15 178.27 3hm2 h ALA 37 N 0.74 1.83 0.11 1.87 0.00 -1.94 1.02 119.26 122.90 3hm2 h ALA 37 Ca -0.01 0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 3hm2 h ALA 37 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hm2 h ALA 37 CO 0.02 -0.14 -1.54 0.82 0.00 0.00 0.00 179.25 178.40 3hm2 h ILE 38 N 0.68 0.93 -0.42 0.00 2.04 -1.51 -2.76 117.51 116.48 3hm2 h ILE 38 Ca 0.52 -2.38 0.12 0.00 1.00 0.00 0.00 64.86 64.12 3hm2 h ILE 38 Cb 0.90 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 3hm2 h ILE 38 CO -0.28 0.72 0.32 -0.08 0.00 0.00 0.00 178.15 178.83 3hm2 h GLU 39 N -0.26 0.00 -0.03 2.37 4.57 0.31 0.17 114.58 121.71 3hm2 h GLU 39 Ca -0.34 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.62 3hm2 h GLU 39 Cb 1.80 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.41 3hm2 h GLU 39 CO 0.05 0.00 -0.85 2.35 -1.18 0.00 0.00 179.01 179.38 3hm2 h TRP 40 N 0.00 0.91 -0.51 0.92 2.91 0.10 -3.11 115.95 117.18 3hm2 h TRP 40 Ca 0.20 -0.47 -0.04 0.00 1.13 0.00 0.00 58.89 59.70 3hm2 h TRP 40 Cb 0.83 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 3hm2 h TRP 40 CO 0.00 1.30 0.16 -0.07 -1.03 0.00 0.00 178.44 178.80 3hm2 h LEU 41 N 0.25 0.73 0.00 0.65 3.38 -1.02 -3.03 115.31 116.28 3hm2 h LEU 41 Ca -0.10 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hm2 h LEU 41 Cb 1.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hm2 h LEU 41 CO 0.17 0.74 0.00 0.54 0.09 0.00 0.00 178.44 179.98 3hm2 n ARG 42 N -4.50 0.03 0.04 1.13 1.74 0.50 -2.58 116.66 113.02 3hm2 n ARG 42 Ca 0.02 0.20 -0.05 0.00 -0.77 0.00 0.00 57.85 57.25 3hm2 n ARG 42 Cb 0.19 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3hm2 n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hm2 h SER 43 N 0.00 0.00 -2.93 0.55 4.64 -1.45 -3.46 113.55 110.89 3hm2 h SER 43 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3hm2 h SER 43 Cb 0.27 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.02 3hm2 h SER 43 CO 0.00 0.85 -0.58 -0.89 -0.87 0.00 0.00 176.83 175.34 3hm2 s THR 44 N -2.75 -0.34 0.94 2.95 2.01 -1.07 -5.10 115.64 112.28 3hm2 s THR 44 Ca -0.01 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 3hm2 s THR 44 Cb 0.09 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.30 3hm2 s THR 44 CO 0.81 0.11 0.80 -2.65 -0.69 0.00 0.00 174.62 173.00 3hm2 n PRO 45 N 5.34 -0.41 -0.94 4.92 -0.02 -1.26 -3.41 135.00 139.22 3hm2 n PRO 45 Ca -0.05 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3hm2 n PRO 45 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 -3.08 -0.22 -4.04 -0.52 6.02 -1.26 -4.57 117.38 109.71 3hm2 n GLN 46 Ca 0.09 0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.90 3hm2 n GLN 46 Cb 0.53 -3.20 -0.04 0.00 1.02 0.00 0.00 30.24 28.55 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 -2.57 4.79 0.31 5.09 -4.23 -1.22 0.18 115.64 117.98 3hm2 s THR 47 Ca 0.00 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 3hm2 s THR 47 Cb 0.00 -3.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 3hm2 s THR 47 CO 0.00 -0.19 0.05 0.42 -0.54 0.00 0.00 174.62 174.35 3hm2 s THR 48 N -1.87 1.14 -0.06 3.99 -4.23 0.53 -4.91 115.64 110.23 3hm2 s THR 48 Ca 0.33 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 3hm2 s THR 48 Cb -0.10 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.07 3hm2 s THR 48 CO 0.26 -0.06 0.36 0.00 -0.54 0.00 0.00 174.62 174.64 3hm2 s ALA 49 N -3.34 -0.90 -0.16 3.99 0.00 -0.91 0.18 121.76 120.62 3hm2 s ALA 49 Ca 0.35 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3hm2 s ALA 49 Cb 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3hm2 s ALA 49 CO 0.14 -0.24 -0.16 0.08 0.00 0.00 0.00 175.76 175.59 3hm2 s VAL 50 N -0.75 1.74 -0.14 0.00 1.01 -0.26 -1.25 120.40 120.75 3hm2 s VAL 50 Ca -0.08 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 3hm2 s VAL 50 Cb -0.04 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3hm2 s VAL 50 CO 0.03 0.48 0.11 0.00 0.00 0.00 0.00 175.10 175.72 3hm2 s PHE 52 N -0.53 3.48 -0.09 0.00 0.40 -0.88 0.30 117.98 120.66 3hm2 s PHE 52 Ca 0.12 -2.25 -0.00 0.00 -0.60 0.00 0.00 56.93 54.20 3hm2 s PHE 52 Cb -0.12 -2.78 0.02 0.00 0.51 0.00 0.00 43.02 40.66 3hm2 s PHE 52 CO 0.02 -0.90 -0.06 -2.00 0.70 0.00 0.00 175.22 172.98 3hm2 s GLU 53 N 1.17 1.22 0.43 0.44 2.56 -1.17 -2.42 118.70 120.93 3hm2 s GLU 53 Ca 0.03 -0.16 0.24 0.00 0.00 0.00 0.00 54.97 55.08 3hm2 s GLU 53 Cb -0.21 -1.30 1.25 0.00 2.00 0.00 0.00 34.13 35.86 3hm2 s GLU 53 CO -0.03 -0.21 1.75 0.97 -0.56 0.00 0.00 175.26 177.17 3hm2 h ILE 54 N 6.18 0.42 -3.48 -3.70 2.10 -1.86 -3.35 117.51 113.83 3hm2 h ILE 54 Ca -0.28 -0.09 -0.60 0.00 1.08 0.00 0.00 64.86 64.97 3hm2 h ILE 54 Cb 1.14 0.14 -0.11 0.00 -1.09 0.00 0.00 36.82 36.90 3hm2 h ILE 54 CO 0.39 0.05 -0.05 -0.55 -1.08 0.00 0.00 178.15 176.90 3hm2 s SER 55 N -5.08 6.54 0.53 2.19 0.15 -1.26 -4.46 113.70 112.30 3hm2 s SER 55 Ca -0.08 0.65 0.31 0.00 0.70 0.00 0.00 55.95 57.52 3hm2 s SER 55 Cb 0.26 -2.29 1.40 0.00 -1.71 0.00 0.00 66.02 63.68 3hm2 s SER 55 CO 0.80 -0.18 2.01 -0.08 1.20 0.00 0.00 173.24 177.00 3hm2 h GLU 56 N 7.51 0.00 -0.17 5.44 4.81 -1.98 0.32 114.58 130.52 3hm2 h GLU 56 Ca -0.33 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3hm2 h GLU 56 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3hm2 h GLU 56 CO 0.74 0.09 -0.03 0.93 -0.73 0.00 0.00 179.01 180.01 3hm2 h GLU 57 N 0.00 0.31 -0.38 1.92 4.39 -1.95 -1.98 114.58 116.90 3hm2 h GLU 57 Ca -0.00 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 3hm2 h GLU 57 Cb 0.46 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3hm2 h GLU 57 CO 0.01 0.57 -0.33 0.00 -1.16 0.00 0.00 179.01 178.10 3hm2 h ARG 58 N 0.03 0.86 -0.79 2.33 2.47 -1.62 -3.28 114.38 114.38 3hm2 h ARG 58 Ca 0.04 -0.42 0.07 0.00 -1.26 0.00 0.00 59.98 58.42 3hm2 h ARG 58 Cb 0.45 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 3hm2 h ARG 58 CO 0.01 1.06 0.46 0.00 0.56 0.00 0.00 179.97 182.07 3hm2 h ARG 59 N 0.72 0.79 -0.42 0.04 3.08 -0.17 -2.32 114.38 116.11 3hm2 h ARG 59 Ca 0.07 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3hm2 h ARG 59 Cb 0.90 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3hm2 h ARG 59 CO 0.08 0.53 0.06 0.93 -1.07 0.00 0.00 179.97 180.50 3hm2 h GLU 60 N 0.82 0.69 0.15 0.04 5.08 -1.42 -2.87 114.58 117.07 3hm2 h GLU 60 Ca 0.36 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hm2 h GLU 60 Cb 0.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hm2 h GLU 60 CO -0.21 0.74 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.22 3hm2 h ARG 61 N 0.54 -0.39 -0.97 2.33 9.65 -1.50 -0.29 114.38 123.76 3hm2 h ARG 61 Ca 0.13 0.03 0.29 0.00 -1.10 0.00 0.00 59.98 59.32 3hm2 h ARG 61 Cb 0.39 0.09 -0.18 0.00 -1.39 0.00 0.00 29.97 28.87 3hm2 h ARG 61 CO 0.01 -0.26 0.11 -0.89 2.80 0.00 0.00 179.97 181.74 3hm2 n ILE 62 N -3.75 -0.41 0.64 1.20 5.41 -0.92 0.50 119.36 122.04 3hm2 n ILE 62 Ca -0.05 2.10 0.10 0.00 1.00 0.00 0.00 62.75 65.90 3hm2 n ILE 62 Cb 0.20 -3.13 0.43 0.00 -0.71 0.00 0.00 39.64 36.43 3hm2 n ILE 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hm2 n LEU 63 N -5.40 0.16 0.02 1.39 7.94 -0.75 0.92 117.00 121.28 3hm2 n LEU 63 Ca 0.25 0.53 -0.22 0.00 -1.11 0.00 0.00 56.01 55.46 3hm2 n LEU 63 Cb 0.84 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 44.15 3hm2 n LEU 63 CO -0.06 -0.21 -0.62 -1.28 -1.11 0.00 0.00 177.39 174.11 3hm2 h SER 64 N 0.00 0.43 -0.62 1.96 0.87 1.34 -1.76 113.55 115.77 3hm2 h SER 64 Ca 0.00 -0.89 -0.07 0.00 -1.23 0.00 0.00 61.79 59.60 3hm2 h SER 64 Cb 0.38 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3hm2 h SER 64 CO 0.00 1.76 0.11 0.78 -0.53 0.00 0.00 176.83 178.95 3hm2 h ASN 65 N -0.09 0.97 0.47 6.23 -0.26 0.67 0.35 115.58 123.92 3hm2 h ASN 65 Ca -0.37 -0.25 -0.02 0.00 -0.56 0.00 0.00 56.30 55.10 3hm2 h ASN 65 Cb 1.93 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.94 3hm2 h ASN 65 CO 0.08 0.98 -0.24 0.00 -1.06 0.00 0.00 177.43 177.19 3hm2 h ALA 66 N 1.03 -0.65 0.00 -0.83 0.00 0.42 -1.87 119.26 117.36 3hm2 h ALA 66 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hm2 h ALA 66 Cb 0.41 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hm2 h ALA 66 CO 0.01 -0.87 -0.01 0.82 0.00 0.00 0.00 179.25 179.20 3hm2 h ILE 67 N -0.65 0.58 0.00 0.00 2.04 -1.08 -2.77 117.51 115.63 3hm2 h ILE 67 Ca -0.06 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3hm2 h ILE 67 Cb 0.50 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3hm2 h ILE 67 CO 0.10 0.01 -0.69 0.78 0.00 0.00 0.00 178.15 178.35 3hm2 h ASN 68 N 0.00 0.00 -0.01 1.72 4.21 0.47 -3.35 115.58 118.62 3hm2 h ASN 68 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hm2 h ASN 68 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3hm2 h ASN 68 CO 0.00 0.69 -0.11 0.18 -1.29 0.00 0.00 177.43 176.90 3hm2 n LEU 69 N -3.34 1.14 0.00 1.61 4.77 -0.85 -5.02 117.00 115.30 3hm2 n LEU 69 Ca 0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3hm2 n LEU 69 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3hm2 n LEU 69 CO 0.43 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3hm2 n GLY 70 N 0.68 1.10 1.89 -0.72 0.00 -1.06 -5.02 105.19 102.06 3hm2 n GLY 70 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.53 2.74 0.22 1.61 0.24 -1.15 -4.61 118.33 116.84 3hm2 n VAL 71 Ca 0.00 -1.41 0.10 0.00 -2.04 0.00 0.00 64.34 60.99 3hm2 n VAL 71 Cb 0.00 -0.30 0.40 0.00 -1.47 0.00 0.00 33.84 32.46 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 3.64 0.00 0.00 -1.34 4.64 -1.91 -2.17 113.55 116.41 3hm2 h SER 72 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hm2 h SER 72 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3hm2 h SER 72 CO 0.54 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 3hm2 n ASP 73 N -3.33 0.00 0.00 4.97 3.85 -1.26 -3.32 116.55 117.46 3hm2 n ASP 73 Ca 0.01 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 3hm2 n ASP 73 Cb 0.47 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 3hm2 n ASP 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3hm2 n ARG 74 N -0.82 0.53 -4.05 0.11 1.74 -0.83 -5.08 116.66 108.26 3hm2 n ARG 74 Ca 0.11 -0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3hm2 n ARG 74 Cb 0.05 -0.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.11 4.56 -0.29 0.55 2.07 -1.11 -2.13 121.20 124.74 3hm2 s ILE 75 Ca 0.00 -1.30 0.02 0.00 -1.41 0.00 0.00 60.65 57.95 3hm2 s ILE 75 Cb 0.00 -3.49 0.16 0.00 0.13 0.00 0.00 42.46 39.26 3hm2 s ILE 75 CO 0.00 -0.33 0.41 0.00 -1.91 0.00 0.00 174.94 173.11 3hm2 s ALA 76 N -2.11 -1.21 -0.26 1.50 0.00 -0.38 -4.95 121.76 114.35 3hm2 s ALA 76 Ca 0.34 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.35 3hm2 s ALA 76 Cb -0.08 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 3hm2 s ALA 76 CO 0.26 -1.70 0.86 0.08 0.00 0.00 0.00 175.76 175.26 3hm2 s VAL 77 N 2.55 4.79 0.54 0.00 1.01 -1.26 -0.79 120.40 127.23 3hm2 s VAL 77 Ca 0.10 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.70 3hm2 s VAL 77 Cb -0.13 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3hm2 s VAL 77 CO -0.29 -0.14 0.74 -1.10 0.00 0.00 0.00 175.10 174.31 3hm2 s GLN 78 N 2.94 2.44 0.00 2.72 -1.52 0.88 -4.90 119.66 122.22 3hm2 s GLN 78 Ca 0.36 -1.30 0.00 0.00 -1.95 0.00 0.00 55.36 52.47 3hm2 s GLN 78 Cb -0.15 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.02 3hm2 s GLN 78 CO 0.08 -0.71 0.00 1.04 -0.25 0.00 0.00 175.29 175.46 3hm2 n GLN 79 N -2.20 -0.39 -1.69 2.91 1.13 -1.26 -3.04 117.38 112.84 3hm2 n GLN 79 Ca 0.12 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.79 3hm2 n GLN 79 Cb 0.60 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.99 3hm2 n GLN 79 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hm2 n GLY 80 N 3.78 0.33 3.88 1.08 0.00 -1.26 -3.73 105.19 109.27 3hm2 n GLY 80 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3hm2 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hm2 s ALA 81 N -1.32 3.06 -2.08 4.61 0.00 -1.26 -1.27 121.76 123.49 3hm2 s ALA 81 Ca 0.69 -0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.72 3hm2 s ALA 81 Cb -0.45 -3.02 1.17 0.00 0.00 0.00 0.00 23.12 20.82 3hm2 s ALA 81 CO 0.51 -0.82 1.81 -0.35 0.00 0.00 0.00 175.76 176.92 3hm2 n PRO 82 N -2.80 1.18 0.11 0.00 -0.05 -1.26 -4.88 135.00 127.30 3hm2 n PRO 82 Ca 0.06 -0.55 -0.13 0.00 -0.05 0.00 0.00 63.50 62.82 3hm2 n PRO 82 Cb 0.55 -1.49 -0.08 0.00 -0.05 0.00 0.00 33.50 32.44 3hm2 n PRO 82 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3hm2 h ARG 83 N 1.35 -0.21 0.00 0.54 9.65 -1.94 -2.99 114.38 120.78 3hm2 h ARG 83 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3hm2 h ARG 83 Cb 0.39 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3hm2 h ARG 83 CO 0.00 -0.06 0.15 0.00 2.80 0.00 0.00 179.97 182.86 3hm2 h ALA 84 N 0.52 1.12 -0.63 2.80 0.00 -1.45 -2.01 119.26 119.61 3hm2 h ALA 84 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3hm2 h ALA 84 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hm2 h ALA 84 CO 0.04 -0.12 0.44 0.74 0.00 0.00 0.00 179.25 180.34 3hm2 h PHE 85 N 0.00 0.19 0.00 0.00 0.04 -1.77 0.34 116.94 115.74 3hm2 h PHE 85 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3hm2 h PHE 85 Cb 0.31 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 3hm2 h PHE 85 CO 0.00 0.07 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.21 3hm2 h ASP 86 N 0.16 0.00 0.51 2.17 3.32 -1.58 -2.80 116.42 118.20 3hm2 h ASP 86 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hm2 h ASP 86 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3hm2 h ASP 86 CO -0.05 0.13 -0.03 0.47 -1.72 0.00 0.00 179.24 178.05 3hm2 n ASP 87 N -3.60 0.11 -3.98 6.45 8.00 0.12 -4.46 116.55 119.19 3hm2 n ASP 87 Ca -0.02 -0.27 -0.31 0.00 0.71 0.00 0.00 54.79 54.91 3hm2 n ASP 87 Cb 0.26 -0.22 -0.15 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.54 2.25 0.50 2.53 1.01 -1.06 -4.98 120.40 118.11 3hm2 s VAL 88 Ca 0.29 -2.54 0.18 0.00 0.00 0.00 0.00 61.98 59.91 3hm2 s VAL 88 Cb 0.20 -2.64 0.33 0.00 0.00 0.00 0.00 36.38 34.27 3hm2 s VAL 88 CO 0.47 -0.66 2.06 1.55 0.00 0.00 0.00 175.10 178.51 3hm2 h PRO 89 N 7.34 0.12 -5.76 2.72 0.13 -1.83 -3.43 132.00 131.29 3hm2 h PRO 89 Ca -0.05 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.48 3hm2 h PRO 89 Cb 0.98 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 3hm2 h PRO 89 CO 0.56 0.08 -0.19 -0.51 -0.23 0.00 0.00 178.00 177.71 3hm2 s ASP 90 N -6.58 6.67 0.56 1.44 -0.00 -1.26 -5.07 116.67 112.43 3hm2 s ASP 90 Ca -0.06 0.79 -0.17 0.00 -0.00 0.00 0.00 52.55 53.12 3hm2 s ASP 90 Cb 0.18 -2.26 -0.05 0.00 -0.00 0.00 0.00 42.92 40.80 3hm2 s ASP 90 CO 0.71 0.11 1.04 0.20 -0.00 0.00 0.00 175.17 177.23 3hm2 s ASN 91 N 0.15 6.05 0.64 0.27 0.02 -1.26 -5.05 114.94 115.76 3hm2 s ASN 91 Ca 0.23 1.78 -0.08 0.00 -1.02 0.00 0.00 52.86 53.78 3hm2 s ASN 91 Cb -0.15 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.61 3hm2 s ASN 91 CO 0.10 -0.98 0.98 -2.16 0.02 0.00 0.00 177.10 175.05 3hm2 s PRO 92 N -3.94 2.78 -0.04 -0.60 0.04 -1.26 -4.99 135.00 126.99 3hm2 s PRO 92 Ca 0.63 0.09 0.20 0.00 0.04 0.00 0.00 61.00 61.96 3hm2 s PRO 92 Cb -0.15 -2.18 -0.30 0.00 0.04 0.00 0.00 34.50 31.91 3hm2 s PRO 92 CO 0.33 -0.89 0.41 -0.25 0.04 0.00 0.00 177.00 176.64 3hm2 n ASP 93 N -2.76 0.49 -3.74 6.66 8.00 -0.20 -4.28 116.55 120.71 3hm2 n ASP 93 Ca 0.06 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 3hm2 n ASP 93 Cb 0.58 1.84 -0.14 0.00 -0.02 0.00 0.00 41.12 43.37 3hm2 n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hm2 s VAL 94 N -3.31 -0.05 -0.14 2.53 1.01 -1.06 -1.84 120.40 117.55 3hm2 s VAL 94 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3hm2 s VAL 94 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3hm2 s VAL 94 CO 0.82 0.07 -0.11 -0.63 0.00 0.00 0.00 175.10 175.25 3hm2 s ILE 95 N 1.20 3.19 -0.21 2.22 1.01 0.14 -1.01 121.20 127.74 3hm2 s ILE 95 Ca -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3hm2 s ILE 95 Cb -0.11 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3hm2 s ILE 95 CO -0.06 0.52 -0.11 0.12 0.00 0.00 0.00 174.94 175.41 3hm2 s PHE 96 N 0.40 2.93 -0.34 3.97 5.36 0.12 -0.30 117.98 130.12 3hm2 s PHE 96 Ca -0.09 -1.37 -0.09 0.00 -0.96 0.00 0.00 56.93 54.42 3hm2 s PHE 96 Cb -0.16 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.52 3hm2 s PHE 96 CO 0.05 -0.69 0.16 0.42 -1.46 0.00 0.00 175.22 173.69 3hm2 s ILE 97 N 1.37 4.34 -0.13 3.12 1.01 -0.34 -0.29 121.20 130.27 3hm2 s ILE 97 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 3hm2 s ILE 97 Cb -0.14 -3.36 -0.21 0.00 0.01 0.00 0.00 42.46 38.76 3hm2 s ILE 97 CO -0.07 -0.11 0.61 1.23 0.00 0.00 0.00 174.94 176.60 3hm2 h GLY 98 N 8.35 0.00 0.00 6.18 0.00 -1.70 -2.76 103.07 113.14 3hm2 h GLY 98 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hm2 h GLY 98 CO 0.63 0.00 -0.40 0.61 0.00 0.00 0.00 176.54 177.39 3hm2 n GLY 99 N 1.64 -0.24 0.49 4.60 0.00 -1.22 -4.64 105.19 105.81 3hm2 n GLY 99 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 2.67 1.45 0.48 -0.02 0.00 -1.26 -4.41 105.19 104.10 3hm2 n GLY 100 Ca -0.06 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.35 3hm2 n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hm2 n LEU 101 N -0.01 0.11 -0.02 0.99 7.94 -1.26 0.21 117.00 124.96 3hm2 n LEU 101 Ca 0.00 1.04 0.01 0.00 -1.11 0.00 0.00 56.01 55.96 3hm2 n LEU 101 Cb 0.24 -0.52 -0.01 0.00 0.53 0.00 0.00 43.42 43.67 3hm2 n LEU 101 CO 0.00 -1.11 0.05 0.35 -1.11 0.00 0.00 177.39 175.57 3hm2 n THR 102 N -4.09 0.00 -1.37 1.96 -2.24 -1.26 -4.57 114.28 102.70 3hm2 n THR 102 Ca 0.36 -0.46 -0.61 0.00 -2.27 0.00 0.00 64.05 61.06 3hm2 n THR 102 Cb 1.48 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 70.61 3hm2 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hm2 n ALA 103 N -0.84 -0.23 -1.52 6.98 0.00 0.13 -4.76 120.51 120.26 3hm2 n ALA 103 Ca 0.01 0.28 -0.54 0.00 0.00 0.00 0.00 53.44 53.18 3hm2 n ALA 103 Cb 0.04 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 3hm2 n ALA 103 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hm2 n PRO 104 N 6.39 1.02 0.00 0.00 -0.02 -1.26 -0.21 135.00 140.91 3hm2 n PRO 104 Ca 0.47 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hm2 n PRO 104 Cb -0.05 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 5.77 2.53 0.10 -1.23 0.00 -1.26 -4.96 105.19 106.13 3hm2 n GLY 105 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.41 1.61 2.07 -0.90 -2.98 116.25 115.63 3hm2 h VAL 106 Ca 0.00 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3hm2 h VAL 106 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 3hm2 h VAL 106 CO 0.00 0.00 0.02 0.15 0.02 0.00 0.00 177.57 177.76 3hm2 h PHE 107 N -0.91 0.02 -0.76 1.57 3.57 -1.80 -2.90 116.94 115.73 3hm2 h PHE 107 Ca -0.02 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.67 3hm2 h PHE 107 Cb 0.12 0.05 -0.14 0.00 2.79 0.00 0.00 35.95 38.77 3hm2 h PHE 107 CO 0.00 -0.06 -0.12 0.00 -2.23 0.00 0.00 178.31 175.91 3hm2 h ALA 108 N 1.35 0.61 0.00 2.41 0.00 -1.91 -2.17 119.26 119.55 3hm2 h ALA 108 Ca 0.20 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hm2 h ALA 108 Cb 0.28 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hm2 h ALA 108 CO -0.32 -0.42 -0.12 0.00 0.00 0.00 0.00 179.25 178.39 3hm2 h ALA 109 N 1.74 0.93 0.04 0.00 0.00 -1.35 -2.90 119.26 117.72 3hm2 h ALA 109 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.95 3hm2 h ALA 109 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3hm2 h ALA 109 CO -0.74 0.00 -2.04 0.00 0.00 0.00 0.00 179.25 176.47 3hm2 n ALA 110 N -1.86 1.29 -0.19 0.00 0.00 -0.85 -3.51 120.51 115.39 3hm2 n ALA 110 Ca 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.60 3hm2 n ALA 110 Cb 0.45 -0.56 0.08 0.00 0.00 0.00 0.00 19.45 19.42 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 0.02 0.49 0.00 0.00 2.91 -1.54 0.15 115.95 117.98 3hm2 h TRP 111 Ca -0.42 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.62 3hm2 h TRP 111 Cb 2.05 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 30.56 3hm2 h TRP 111 CO 0.03 0.21 -0.00 0.87 -1.03 0.00 0.00 178.44 178.51 3hm2 h LYS 112 N 0.50 0.00 0.00 2.65 1.57 -1.64 0.22 116.57 119.87 3hm2 h LYS 112 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3hm2 h LYS 112 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hm2 h LYS 112 CO -0.21 0.00 -0.96 0.54 -0.57 0.00 0.00 179.45 178.26 3hm2 n ARG 113 N -3.30 0.34 -2.19 3.15 5.12 -0.35 -4.87 116.66 114.56 3hm2 n ARG 113 Ca -0.03 0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3hm2 n ARG 113 Cb 0.09 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 29.71 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 -4.19 4.38 0.67 0.55 2.96 0.77 -4.15 118.68 119.66 3hm2 s LEU 114 Ca 0.03 2.33 -0.13 0.00 -0.22 0.00 0.00 54.13 56.13 3hm2 s LEU 114 Cb 0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3hm2 s LEU 114 CO 0.78 -0.63 1.08 -2.84 -1.32 0.00 0.00 176.35 173.43 3hm2 s PRO 115 N 0.90 2.87 0.05 0.98 0.02 -1.26 -4.94 135.00 133.62 3hm2 s PRO 115 Ca 0.63 1.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 3hm2 s PRO 115 Cb -0.36 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 3hm2 s PRO 115 CO 0.31 -1.17 1.30 0.08 -0.33 0.00 0.00 177.00 177.20 3hm2 s VAL 116 N -2.63 3.75 0.00 3.83 1.01 -1.26 -0.66 120.40 124.44 3hm2 s VAL 116 Ca 0.63 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3hm2 s VAL 116 Cb -0.17 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3hm2 s VAL 116 CO 0.46 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3hm2 n GLY 117 N 3.41 2.43 3.41 4.51 0.00 -1.14 -5.01 105.19 112.80 3hm2 n GLY 117 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.19 -1.95 3.49 -0.02 0.00 0.17 -4.62 105.19 102.07 3hm2 n GLY 118 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.90 1.74 -0.07 1.61 0.52 -0.77 0.57 118.95 119.66 3hm2 s ARG 119 Ca 0.61 -1.77 -0.08 0.00 -0.52 0.00 0.00 55.73 53.97 3hm2 s ARG 119 Cb -0.30 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.40 3hm2 s ARG 119 CO 0.63 0.31 0.22 -1.17 0.02 0.00 0.00 175.30 175.30 3hm2 s LEU 120 N -3.54 1.16 -0.04 2.53 0.20 -0.73 0.27 118.68 118.53 3hm2 s LEU 120 Ca 0.30 0.38 0.05 0.00 0.69 0.00 0.00 54.13 55.56 3hm2 s LEU 120 Cb -0.04 0.78 -0.01 0.00 -0.43 0.00 0.00 46.19 46.49 3hm2 s LEU 120 CO 0.16 -0.12 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.21 3hm2 s VAL 121 N -0.06 1.64 -0.17 1.68 1.01 0.59 -2.39 120.40 122.70 3hm2 s VAL 121 Ca -0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3hm2 s VAL 121 Cb -0.02 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.02 3hm2 s VAL 121 CO 0.01 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.62 3hm2 s ALA 122 N -0.15 0.79 0.53 5.51 0.00 -0.82 -1.20 121.76 126.42 3hm2 s ALA 122 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3hm2 s ALA 122 Cb -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 3hm2 s ALA 122 CO 0.02 -1.07 0.82 -0.80 0.00 0.00 0.00 175.76 174.73 3hm2 s ASN 123 N 1.96 5.85 -0.24 0.00 0.01 -1.04 -1.69 114.94 119.78 3hm2 s ASN 123 Ca 0.01 0.71 -0.11 0.00 -0.71 0.00 0.00 52.86 52.75 3hm2 s ASN 123 Cb -0.16 -1.85 0.09 0.00 0.41 0.00 0.00 41.25 39.74 3hm2 s ASN 123 CO -0.08 -0.85 0.56 0.00 -1.51 0.00 0.00 177.10 175.23 3hm2 s ALA 124 N -2.84 -1.59 -0.02 0.60 0.00 -1.20 -4.86 121.76 111.86 3hm2 s ALA 124 Ca 0.51 2.02 0.03 0.00 0.00 0.00 0.00 51.96 54.52 3hm2 s ALA 124 Cb -0.10 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.69 3hm2 s ALA 124 CO 0.44 -0.55 1.00 1.55 0.00 0.00 0.00 175.76 178.20 3hm2 n VAL 125 N 4.77 0.33 -4.24 0.00 3.14 -1.26 -0.93 118.33 120.14 3hm2 n VAL 125 Ca -0.17 -0.39 -0.13 0.00 -2.96 0.00 0.00 64.34 60.69 3hm2 n VAL 125 Cb 0.54 0.40 -0.10 0.00 -1.06 0.00 0.00 33.84 33.62 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 -0.49 0.61 0.21 1.55 -4.23 -1.26 -4.94 115.64 107.09 3hm2 s THR 126 Ca 0.05 -1.97 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 3hm2 s THR 126 Cb 0.05 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.87 3hm2 s THR 126 CO 0.01 -0.45 1.76 0.58 -0.54 0.00 0.00 174.62 175.97 3hm2 h VAL 127 N 2.69 0.94 0.91 2.29 2.07 -1.96 1.54 116.25 124.73 3hm2 h VAL 127 Ca -0.37 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 3hm2 h VAL 127 Cb 1.21 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3hm2 h VAL 127 CO 0.62 0.37 -0.44 -0.08 0.02 0.00 0.00 177.57 178.07 3hm2 h GLU 128 N 0.00 -1.17 -0.57 1.57 4.57 -1.97 0.25 114.58 117.26 3hm2 h GLU 128 Ca -0.00 0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3hm2 h GLU 128 Cb 0.85 0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 3hm2 h GLU 128 CO 0.05 -0.78 0.33 0.77 -1.18 0.00 0.00 179.01 178.20 3hm2 h SER 129 N -1.29 0.52 -0.51 1.04 0.02 -1.87 -2.43 113.55 109.04 3hm2 h SER 129 Ca -0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3hm2 h SER 129 Cb 0.94 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3hm2 h SER 129 CO 0.20 0.36 0.23 -0.08 -1.14 0.00 0.00 176.83 176.41 3hm2 h GLU 130 N 0.65 0.74 -1.22 3.45 4.81 0.21 0.34 114.58 123.57 3hm2 h GLU 130 Ca 0.24 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hm2 h GLU 130 Cb 0.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hm2 h GLU 130 CO -0.12 0.64 0.00 1.04 -0.73 0.00 0.00 179.01 179.84 3hm2 n GLN 131 N -4.58 0.00 0.00 1.92 6.02 0.88 -2.13 117.38 119.49 3hm2 n GLN 131 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3hm2 n GLN 131 Cb 0.13 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 0.77 0.00 -0.16 1.08 4.77 0.12 -2.81 117.00 120.76 3hm2 n LEU 133 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3hm2 n LEU 133 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3hm2 n LEU 133 CO 0.00 0.00 0.95 -0.50 -1.33 0.00 0.00 177.39 176.51 3hm2 h TRP 134 N 0.00 0.27 -0.10 -1.77 4.06 -1.68 -2.58 115.95 114.15 3hm2 h TRP 134 Ca 0.00 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 3hm2 h TRP 134 Cb 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 3hm2 h TRP 134 CO 0.00 0.08 -0.32 0.00 -3.56 0.00 0.00 178.44 174.64 3hm2 h ALA 135 N 1.34 1.28 -0.31 1.49 0.00 -1.82 -2.88 119.26 118.36 3hm2 h ALA 135 Ca 0.24 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hm2 h ALA 135 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hm2 h ALA 135 CO -0.25 0.49 -0.00 -0.07 0.00 0.00 0.00 179.25 179.42 3hm2 h LEU 136 N 0.17 0.54 -0.60 0.00 3.38 -1.77 -3.06 115.31 113.97 3hm2 h LEU 136 Ca 0.02 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.79 3hm2 h LEU 136 Cb 0.65 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 3hm2 h LEU 136 CO 0.05 0.72 -0.27 -0.09 0.09 0.00 0.00 178.44 178.94 3hm2 h ARG 137 N 0.34 -0.11 -0.80 1.13 2.43 -1.26 0.76 114.38 116.87 3hm2 h ARG 137 Ca 0.09 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3hm2 h ARG 137 Cb 0.44 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.92 3hm2 h ARG 137 CO 0.02 -0.07 -0.47 1.17 -1.51 0.00 0.00 179.97 179.10 3hm2 n LYS 138 N -5.44 -0.35 0.05 0.20 4.81 -1.15 0.15 118.16 116.43 3hm2 n LYS 138 Ca 0.05 1.38 -0.12 0.00 -0.87 0.00 0.00 58.31 58.75 3hm2 n LYS 138 Cb 0.35 -2.03 -0.02 0.00 0.02 0.00 0.00 35.03 33.35 3hm2 n LYS 138 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3hm2 h GLN 139 N 0.00 0.44 -0.00 1.64 4.20 -1.23 -3.35 115.11 116.81 3hm2 h GLN 139 Ca 0.13 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3hm2 h GLN 139 Cb 0.33 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hm2 h GLN 139 CO -0.75 1.06 -0.04 1.19 -0.67 0.00 0.00 178.83 179.62 3hm2 n PHE 140 N -3.80 0.00 -4.26 2.96 3.72 0.12 -5.08 117.46 111.12 3hm2 n PHE 140 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3hm2 n PHE 140 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.72 0.79 7.00 1.37 0.00 0.39 -4.63 105.19 110.83 3hm2 n GLY 141 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.98 2.88 -0.02 0.00 -1.26 -4.24 105.19 100.57 3hm2 n GLY 142 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 0.08 -0.13 2.61 2.01 0.27 -4.93 115.64 115.55 3hm2 s THR 143 Ca 0.00 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 3hm2 s THR 143 Cb 0.00 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 3hm2 s THR 143 CO 0.00 0.03 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.30 3hm2 s ILE 144 N 0.10 3.93 0.43 1.82 -1.09 -1.26 0.14 121.20 125.27 3hm2 s ILE 144 Ca -0.01 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 3hm2 s ILE 144 Cb -0.02 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.12 3hm2 s ILE 144 CO -0.00 0.53 0.03 -0.44 -1.23 0.00 0.00 174.94 173.82 3hm2 s SER 145 N 0.01 3.61 -0.11 3.58 0.01 0.17 -4.95 113.70 116.01 3hm2 s SER 145 Ca 0.01 -1.51 -0.07 0.00 1.31 0.00 0.00 55.95 55.69 3hm2 s SER 145 Cb -0.13 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.22 3hm2 s SER 145 CO 0.03 -0.67 0.27 -0.94 0.41 0.00 0.00 173.24 172.33 3hm2 s SER 146 N -3.72 -0.29 -0.17 2.44 1.04 -1.26 -0.37 113.70 111.36 3hm2 s SER 146 Ca 0.24 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 3hm2 s SER 146 Cb 0.06 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3hm2 s SER 146 CO 0.12 -0.14 -0.13 -0.36 0.98 0.00 0.00 173.24 173.71 3hm2 s PHE 147 N 0.84 2.83 -0.33 5.02 0.08 0.09 -4.97 117.98 121.55 3hm2 s PHE 147 Ca -0.06 -1.06 -0.10 0.00 0.12 0.00 0.00 56.93 55.84 3hm2 s PHE 147 Cb -0.07 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3hm2 s PHE 147 CO -0.06 -0.51 0.16 0.00 -0.10 0.00 0.00 175.22 174.71 3hm2 s ALA 148 N 1.01 3.26 -0.04 5.36 0.00 -1.26 -2.74 121.76 127.34 3hm2 s ALA 148 Ca -0.01 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.53 3hm2 s ALA 148 Cb -0.15 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 3hm2 s ALA 148 CO -0.02 -1.03 -0.23 0.42 0.00 0.00 0.00 175.76 174.89 3hm2 s ILE 149 N 1.59 1.85 0.10 0.00 1.01 -1.26 -5.05 121.20 119.43 3hm2 s ILE 149 Ca 0.04 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.81 3hm2 s ILE 149 Cb -0.18 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3hm2 s ILE 149 CO 0.06 0.52 -0.20 -0.44 0.00 0.00 0.00 174.94 174.88 3hm2 s SER 150 N -0.27 3.74 -0.09 3.58 0.01 -1.26 -1.22 113.70 118.19 3hm2 s SER 150 Ca 0.01 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 3hm2 s SER 150 Cb -0.11 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.66 3hm2 s SER 150 CO 0.02 0.20 0.03 -1.00 0.41 0.00 0.00 173.24 172.90 3hm2 s HIS 151 N -1.06 0.53 0.25 2.43 3.76 0.78 -4.86 115.29 117.11 3hm2 s HIS 151 Ca 0.16 -0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.63 3hm2 s HIS 151 Cb -0.10 -0.75 -0.16 0.00 1.11 0.00 0.00 32.58 32.68 3hm2 s HIS 151 CO 0.08 -0.35 0.51 -0.85 -0.85 0.00 0.00 174.74 173.27 3hm2 n GLU 152 N 5.18 0.16 -3.52 1.40 0.28 -1.26 -3.22 120.64 119.67 3hm2 n GLU 152 Ca -0.06 0.06 -0.05 0.00 -0.16 0.00 0.00 57.16 56.94 3hm2 n GLU 152 Cb 0.49 -1.11 -0.07 0.00 1.43 0.00 0.00 31.44 32.19 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 -1.13 -1.05 0.28 -1.84 2.46 -0.15 -4.84 115.29 109.02 3hm2 s HIS 153 Ca 0.63 1.60 -0.18 0.00 0.47 0.00 0.00 55.06 57.58 3hm2 s HIS 153 Cb -0.85 0.40 -0.09 0.00 -0.13 0.00 0.00 32.58 31.92 3hm2 s HIS 153 CO 0.57 -0.63 0.76 0.99 -2.47 0.00 0.00 174.74 173.96 3hm2 s THR 154 N 2.70 4.58 -0.20 0.89 2.01 -1.26 -1.58 115.64 122.79 3hm2 s THR 154 Ca 0.04 1.19 0.13 0.00 0.31 0.00 0.00 61.69 63.36 3hm2 s THR 154 Cb -0.13 -3.75 0.41 0.00 0.01 0.00 0.00 72.50 69.03 3hm2 s THR 154 CO -0.16 0.01 1.25 0.52 -0.69 0.00 0.00 174.62 175.55 3hm2 n VAL 155 N 0.18 2.18 0.00 3.82 0.31 -0.07 -4.96 118.33 119.80 3hm2 n VAL 155 Ca 0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 64.34 61.50 3hm2 n VAL 155 Cb 0.52 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 3hm2 n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hm2 n GLY 156 N -1.17 1.45 0.08 2.92 0.00 -1.26 -4.30 105.19 102.90 3hm2 n GLY 156 Ca 0.21 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.34 0.32 -4.60 1.61 3.41 -1.26 -4.93 113.62 108.51 3hm2 n SER 157 Ca 0.00 -0.45 -0.32 0.00 -0.26 0.00 0.00 58.87 57.84 3hm2 n SER 157 Cb 0.00 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.50 2.88 -0.13 7.33 0.40 -1.26 -5.12 117.98 119.59 3hm2 s PHE 158 Ca 0.29 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 3hm2 s PHE 158 Cb 0.20 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 42.16 3hm2 s PHE 158 CO 0.47 0.39 -0.18 0.42 0.70 0.00 0.00 175.22 177.02 3hm2 s ILE 159 N -1.05 1.78 0.00 0.64 1.01 -1.26 -0.89 121.20 121.43 3hm2 s ILE 159 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3hm2 s ILE 159 Cb -0.11 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3hm2 s ILE 159 CO 0.09 0.50 0.00 0.35 0.00 0.00 0.00 174.94 175.88 3hm2 n THR 160 N 4.21 0.00 -3.15 2.92 -2.24 -0.61 -4.94 114.28 110.47 3hm2 n THR 160 Ca -0.19 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 3hm2 n THR 160 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 3.38 0.26 0.18 -0.78 2.20 -1.20 -0.98 119.74 122.80 3hm2 s LYS 162 Ca 0.00 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 3hm2 s LYS 162 Cb 0.00 0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.49 3hm2 s LYS 162 CO 0.00 -0.29 1.19 -2.14 -0.36 0.00 0.00 175.35 173.75 3hm2 s PRO 163 N 2.94 4.50 0.00 4.03 0.02 -1.26 -0.16 135.00 145.06 3hm2 s PRO 163 Ca 0.04 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3hm2 s PRO 163 Cb -0.11 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3hm2 s PRO 163 CO -0.13 -0.08 0.00 0.00 -0.33 0.00 0.00 177.00 176.46 3hm2 n ALA 164 N 2.55 0.00 -1.77 -1.55 0.00 -0.36 -4.95 120.51 114.43 3hm2 n ALA 164 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 3hm2 n ALA 164 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 4.21 0.67 0.00 1.43 -1.26 -4.78 118.68 118.95 3hm2 s LEU 165 Ca 0.00 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.19 3hm2 s LEU 165 Cb 0.00 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 42.19 3hm2 s LEU 165 CO 0.00 -0.58 1.17 -2.84 0.23 0.00 0.00 176.35 174.33 3hm2 s PRO 166 N -2.28 2.58 -0.14 1.29 0.02 -1.26 -4.78 135.00 130.42 3hm2 s PRO 166 Ca 0.56 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 63.17 3hm2 s PRO 166 Cb -0.28 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.39 3hm2 s PRO 166 CO 0.35 -1.47 0.07 0.08 -0.33 0.00 0.00 177.00 175.71 3hm2 s VAL 167 N -2.04 0.02 0.90 3.83 1.01 -1.11 -4.59 120.40 118.42 3hm2 s VAL 167 Ca 0.72 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 3hm2 s VAL 167 Cb -0.26 -0.54 0.15 0.00 0.00 0.00 0.00 36.38 35.73 3hm2 s VAL 167 CO 0.41 -0.14 1.24 -1.00 0.00 0.00 0.00 175.10 175.61 3hm2 s HIS 168 N 2.10 2.19 -0.30 5.22 3.76 -0.11 -0.73 115.29 127.42 3hm2 s HIS 168 Ca 0.02 0.54 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 3hm2 s HIS 168 Cb -0.15 -3.79 0.14 0.00 1.11 0.00 0.00 32.58 29.89 3hm2 s HIS 168 CO -0.07 -2.31 0.69 -1.14 -0.85 0.00 0.00 174.74 171.06 3hm2 s GLN 169 N -5.70 0.54 -0.16 1.40 0.74 0.50 -3.22 119.66 113.76 3hm2 s GLN 169 Ca 0.68 1.32 -0.13 0.00 0.05 0.00 0.00 55.36 57.28 3hm2 s GLN 169 Cb -0.08 0.79 -0.05 0.00 1.10 0.00 0.00 33.01 34.77 3hm2 s GLN 169 CO 0.51 -0.23 0.27 -0.46 -0.55 0.00 0.00 175.29 174.83 3hm2 s TRP 170 N 2.85 3.46 -0.18 1.67 -0.00 -0.68 0.42 118.94 126.48 3hm2 s TRP 170 Ca -0.03 0.57 0.01 0.00 -0.00 0.00 0.00 56.10 56.65 3hm2 s TRP 170 Cb -0.12 -2.30 0.03 0.00 -0.00 0.00 0.00 33.47 31.08 3hm2 s TRP 170 CO -0.19 0.27 -0.14 -0.08 -0.00 0.00 0.00 176.95 176.81 3hm2 s THR 171 N 0.37 1.77 0.14 5.86 -1.32 0.36 -1.94 115.64 120.88 3hm2 s THR 171 Ca 0.15 -0.91 0.08 0.00 -1.21 0.00 0.00 61.69 59.81 3hm2 s THR 171 Cb -0.13 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 3hm2 s THR 171 CO 0.03 0.35 -0.20 0.54 -2.21 0.00 0.00 174.62 173.14 3hm2 s VAL 172 N 1.38 1.79 -0.11 5.08 0.11 -1.01 0.96 120.40 128.61 3hm2 s VAL 172 Ca 0.02 -1.76 0.01 0.00 -2.93 0.00 0.00 61.98 57.32 3hm2 s VAL 172 Cb -0.14 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 3hm2 s VAL 172 CO -0.10 -0.20 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.65 3hm2 s VAL 173 N -1.65 3.08 0.05 2.04 1.01 -1.26 -1.78 120.40 121.89 3hm2 s VAL 173 Ca 0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3hm2 s VAL 173 Cb -0.08 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 3hm2 s VAL 173 CO 0.06 0.54 1.63 -0.75 0.00 0.00 0.00 175.10 176.58 3hm2 s LYS 174 N 0.10 4.20 0.00 2.72 2.20 0.19 -4.91 119.74 124.24 3hm2 s LYS 174 Ca -0.06 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 3hm2 s LYS 174 Cb -0.15 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3hm2 s LYS 174 CO 0.04 -0.74 0.00 0.00 -0.36 0.00 0.00 175.35 174.30