#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha2 s THR 3 N 0.00 2.20 -0.19 5.09 2.01 -0.23 -0.23 115.64 124.29 3ha2 s THR 3 Ca 0.00 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 3ha2 s THR 3 Cb 0.00 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3ha2 s THR 3 CO 0.00 0.57 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.21 3ha2 s LEU 4 N -0.08 2.85 -0.35 4.42 2.96 0.11 -0.51 118.68 128.08 3ha2 s LEU 4 Ca -0.06 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.40 3ha2 s LEU 4 Cb -0.14 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.87 3ha2 s LEU 4 CO 0.04 0.04 0.16 -0.63 -1.32 0.00 0.00 176.35 174.65 3ha2 s ILE 5 N 1.10 4.25 -0.51 6.68 1.01 0.25 -0.69 121.20 133.30 3ha2 s ILE 5 Ca 0.01 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.49 3ha2 s ILE 5 Cb -0.15 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.99 3ha2 s ILE 5 CO -0.01 -0.18 0.90 -0.63 0.00 0.00 0.00 174.94 175.02 3ha2 s ILE 6 N 1.50 4.47 -0.53 2.92 -1.09 0.29 -0.69 121.20 128.07 3ha2 s ILE 6 Ca 0.01 0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 58.67 3ha2 s ILE 6 Cb -0.19 -4.46 0.09 0.00 -1.58 0.00 0.00 42.46 36.32 3ha2 s ILE 6 CO 0.05 -0.96 0.56 -0.69 -1.23 0.00 0.00 174.94 172.67 3ha2 s VAL 7 N 3.74 5.04 -0.61 2.92 1.01 -0.43 -0.66 120.40 131.40 3ha2 s VAL 7 Ca 0.32 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3ha2 s VAL 7 Cb -0.12 -4.32 0.40 0.00 0.00 0.00 0.00 36.38 32.34 3ha2 s VAL 7 CO 0.22 -0.85 1.59 0.00 0.00 0.00 0.00 175.10 176.05 3ha2 n ALA 8 N 5.74 5.79 -2.69 5.51 0.00 0.46 -0.92 120.51 134.39 3ha2 n ALA 8 Ca -0.11 -4.10 -0.41 0.00 0.00 0.00 0.00 53.44 48.82 3ha2 n ALA 8 Cb 0.43 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3ha2 n ALA 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ha2 s HIS 9 N -3.79 3.50 -0.12 0.00 2.46 -1.26 -4.52 115.29 111.55 3ha2 s HIS 9 Ca 0.52 1.32 0.30 0.00 0.47 0.00 0.00 55.06 57.67 3ha2 s HIS 9 Cb 0.43 -2.97 1.12 0.00 -0.13 0.00 0.00 32.58 31.02 3ha2 s HIS 9 CO -0.24 -0.11 1.87 -1.35 -2.47 0.00 0.00 174.74 172.44 3ha2 h PRO 10 N 7.09 0.00 -1.55 2.88 0.11 -1.94 -3.10 132.00 135.49 3ha2 h PRO 10 Ca -0.34 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.26 3ha2 h PRO 10 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.86 3ha2 h PRO 10 CO 0.80 0.00 -0.91 0.39 -0.21 0.00 0.00 178.00 178.07 3ha2 n GLU 11 N -2.91 2.44 -0.27 1.05 -0.58 -1.26 -4.97 120.64 114.13 3ha2 n GLU 11 Ca 0.02 -4.07 0.09 0.00 -0.42 0.00 0.00 57.16 52.78 3ha2 n GLU 11 Cb 0.33 -1.89 0.23 0.00 -0.57 0.00 0.00 31.44 29.55 3ha2 n GLU 11 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3ha2 h LEU 12 N 2.82 -0.03 -2.40 -4.62 5.85 -1.95 -0.17 115.31 114.80 3ha2 h LEU 12 Ca 0.13 0.18 0.01 0.00 0.84 0.00 0.00 57.88 59.04 3ha2 h LEU 12 Cb 0.93 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3ha2 h LEU 12 CO 0.70 -0.11 0.06 0.00 -0.34 0.00 0.00 178.44 178.75 3ha2 h ALA 13 N 1.70 1.60 0.00 1.25 0.00 -1.93 -2.37 119.26 119.52 3ha2 h ALA 13 Ca 0.48 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.14 3ha2 h ALA 13 Cb 0.90 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3ha2 h ALA 13 CO -0.60 -0.08 -1.96 0.54 0.00 0.00 0.00 179.25 177.15 3ha2 n ARG 14 N -3.83 0.66 -1.54 0.00 1.74 -0.12 -5.00 116.66 108.56 3ha2 n ARG 14 Ca -0.02 0.07 -0.53 0.00 -0.77 0.00 0.00 57.85 56.61 3ha2 n ARG 14 Cb 0.15 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3ha2 n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ha2 n SER 15 N -2.76 0.82 0.05 0.55 2.88 -0.89 -4.90 113.62 109.37 3ha2 n SER 15 Ca -0.20 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.60 3ha2 n SER 15 Cb 0.97 -1.09 0.02 0.00 -0.75 0.00 0.00 64.21 63.35 3ha2 n SER 15 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ha2 n ASN 16 N 2.03 0.63 -0.01 -3.46 5.03 -1.26 -4.47 115.26 113.75 3ha2 n ASN 16 Ca 0.18 0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.43 3ha2 n ASN 16 Cb 0.18 0.72 -0.14 0.00 -1.02 0.00 0.00 39.78 39.52 3ha2 n ASN 16 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 3ha2 h THR 17 N 0.00 0.74 -0.59 3.41 1.35 -1.97 -3.41 112.91 112.44 3ha2 h THR 17 Ca 0.00 -2.33 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 3ha2 h THR 17 Cb 0.84 2.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.73 3ha2 h THR 17 CO 0.00 0.78 0.29 1.56 -0.25 0.00 0.00 175.52 177.90 3ha2 h GLN 18 N -0.14 0.83 -0.38 4.72 1.08 -1.94 -1.76 115.11 117.52 3ha2 h GLN 18 Ca -0.39 -0.10 0.10 0.00 -1.45 0.00 0.00 58.65 56.80 3ha2 h GLN 18 Cb 1.89 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 29.15 3ha2 h GLN 18 CO 0.04 0.64 0.27 -1.35 -0.95 0.00 0.00 178.83 177.48 3ha2 h PRO 19 N 0.83 0.06 -0.55 1.46 0.11 -1.80 -0.37 132.00 131.74 3ha2 h PRO 19 Ca 0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 3ha2 h PRO 19 Cb 0.08 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3ha2 h PRO 19 CO -0.03 0.04 0.24 0.74 -0.21 0.00 0.00 178.00 178.78 3ha2 h PHE 20 N 0.06 0.83 -0.19 0.65 0.04 -1.57 -0.55 116.94 116.22 3ha2 h PHE 20 Ca 0.18 -0.06 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 3ha2 h PHE 20 Cb 0.63 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3ha2 h PHE 20 CO -0.00 0.66 -0.62 0.74 -0.60 0.00 0.00 178.31 178.50 3ha2 h PHE 21 N 0.75 0.98 -0.17 -0.55 0.04 -1.33 -2.24 116.94 114.42 3ha2 h PHE 21 Ca 0.19 -0.40 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 3ha2 h PHE 21 Cb 0.17 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3ha2 h PHE 21 CO 0.00 1.21 0.10 -0.22 -0.60 0.00 0.00 178.31 178.81 3ha2 h LYS 22 N 0.47 0.23 -0.16 1.51 3.64 -1.05 -2.23 116.57 118.99 3ha2 h LYS 22 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ha2 h LYS 22 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3ha2 h LYS 22 CO 0.13 0.22 0.10 0.00 -2.27 0.00 0.00 179.45 177.64 3ha2 h ALA 23 N 1.00 1.89 0.00 5.00 0.00 -1.06 -2.15 119.26 123.94 3ha2 h ALA 23 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ha2 h ALA 23 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ha2 h ALA 23 CO -0.01 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 179.03 3ha2 h ALA 24 N 1.90 1.11 -0.20 0.00 0.00 -0.77 -3.03 119.26 118.27 3ha2 h ALA 24 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ha2 h ALA 24 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ha2 h ALA 24 CO -0.01 0.40 0.00 0.44 0.00 0.00 0.00 179.25 180.08 3ha2 n ILE 25 N -3.64 0.75 0.25 0.00 -6.64 -0.95 -4.69 119.36 104.43 3ha2 n ILE 25 Ca -0.01 -0.88 0.16 0.00 -1.77 0.00 0.00 62.75 60.26 3ha2 n ILE 25 Cb 0.44 0.67 0.87 0.00 -1.44 0.00 0.00 39.64 40.17 3ha2 n ILE 25 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3ha2 h GLU 26 N 1.60 0.00 -0.01 6.28 5.08 -1.27 -2.28 114.58 123.98 3ha2 h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ha2 h GLU 26 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ha2 h GLU 26 CO 0.00 0.00 -0.43 0.09 -1.00 0.00 0.00 179.01 177.67 3ha2 n ASN 27 N -3.82 1.37 -4.46 1.42 5.03 -1.26 -4.78 115.26 108.75 3ha2 n ASN 27 Ca -0.00 -1.09 -0.43 0.00 0.87 0.00 0.00 54.58 53.92 3ha2 n ASN 27 Cb 0.22 0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 39.27 3ha2 n ASN 27 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3ha2 s PHE 28 N -2.58 3.05 -0.16 3.10 0.08 -0.86 -4.93 117.98 115.68 3ha2 s PHE 28 Ca 0.19 -0.43 0.29 0.00 0.12 0.00 0.00 56.93 57.11 3ha2 s PHE 28 Cb 0.18 -3.47 1.19 0.00 -0.57 0.00 0.00 43.02 40.36 3ha2 s PHE 28 CO 0.59 -0.99 1.87 0.66 -0.10 0.00 0.00 175.22 177.24 3ha2 h SER 29 N 8.96 0.00 0.31 1.36 4.64 -1.86 -2.22 113.55 124.74 3ha2 h SER 29 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ha2 h SER 29 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ha2 h SER 29 CO 0.94 0.00 -0.14 -0.46 -0.87 0.00 0.00 176.83 176.31 3ha2 n ASN 30 N -2.72 0.63 -4.66 4.97 6.94 -1.26 -4.79 115.26 114.38 3ha2 n ASN 30 Ca 0.01 -0.69 -0.36 0.00 -0.02 0.00 0.00 54.58 53.52 3ha2 n ASN 30 Cb 0.28 -0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 3ha2 n ASN 30 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ha2 s VAL 31 N -2.45 5.25 -0.30 3.53 1.01 -0.84 -1.06 120.40 125.54 3ha2 s VAL 31 Ca 0.28 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 3ha2 s VAL 31 Cb 0.20 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3ha2 s VAL 31 CO 0.48 0.37 0.10 -0.89 0.00 0.00 0.00 175.10 175.16 3ha2 s THR 32 N 0.90 4.17 -0.45 3.92 2.01 0.33 -4.92 115.64 121.60 3ha2 s THR 32 Ca 0.07 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 3ha2 s THR 32 Cb -0.13 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.26 3ha2 s THR 32 CO 0.03 0.07 0.87 0.86 -0.69 0.00 0.00 174.62 175.76 3ha2 s TRP 33 N 1.53 2.96 -0.48 4.92 -0.11 -1.26 -0.58 118.94 125.93 3ha2 s TRP 33 Ca 0.03 0.35 0.03 0.00 1.22 0.00 0.00 56.10 57.73 3ha2 s TRP 33 Cb -0.17 -3.83 0.13 0.00 -1.50 0.00 0.00 33.47 28.10 3ha2 s TRP 33 CO 0.04 -1.03 0.23 -1.58 -4.62 0.00 0.00 176.95 169.99 3ha2 s HIS 34 N 3.56 2.93 0.28 5.86 2.46 0.13 -4.99 115.29 125.53 3ha2 s HIS 34 Ca 0.35 -2.96 -0.30 0.00 0.47 0.00 0.00 55.06 52.61 3ha2 s HIS 34 Cb -0.11 -2.60 -0.11 0.00 -0.13 0.00 0.00 32.58 29.63 3ha2 s HIS 34 CO 0.24 -0.77 1.62 -2.14 -2.47 0.00 0.00 174.74 171.22 3ha2 s PRO 35 N 0.00 4.12 -0.28 2.88 0.02 -1.26 -1.32 135.00 139.16 3ha2 s PRO 35 Ca 0.16 2.59 -0.27 0.00 0.02 0.00 0.00 61.00 63.51 3ha2 s PRO 35 Cb -0.25 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3ha2 s PRO 35 CO -0.01 -0.65 0.95 -1.17 -0.33 0.00 0.00 177.00 175.78 3ha2 s LEU 36 N -0.28 4.04 0.15 -5.54 2.96 -0.10 -4.85 118.68 115.06 3ha2 s LEU 36 Ca 0.65 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.62 3ha2 s LEU 36 Cb -0.48 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 3ha2 s LEU 36 CO 0.46 -0.69 0.20 0.68 -1.32 0.00 0.00 176.35 175.68 3ha2 s VAL 37 N 3.21 4.90 0.53 1.68 -7.23 -1.26 -4.89 120.40 117.34 3ha2 s VAL 37 Ca 0.40 -0.86 0.18 0.00 -1.81 0.00 0.00 61.98 59.89 3ha2 s VAL 37 Cb -0.14 -3.50 0.29 0.00 0.56 0.00 0.00 36.38 33.59 3ha2 s VAL 37 CO 0.11 -0.08 2.15 0.00 -0.31 0.00 0.00 175.10 176.97 3ha2 h ALA 38 N 2.37 1.99 -0.96 1.32 0.00 -1.99 -2.19 119.26 119.80 3ha2 h ALA 38 Ca -0.48 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 3ha2 h ALA 38 Cb 1.19 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.65 3ha2 h ALA 38 CO 0.66 -0.06 0.26 -0.40 0.00 0.00 0.00 179.25 179.72 3ha2 n ASP 39 N -4.44 6.62 -4.64 0.00 5.75 -1.26 -5.04 116.55 113.54 3ha2 n ASP 39 Ca -0.02 -3.78 -0.35 0.00 -0.01 0.00 0.00 54.79 50.64 3ha2 n ASP 39 Cb 0.13 -0.75 0.10 0.00 -1.03 0.00 0.00 41.12 39.57 3ha2 n ASP 39 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 3ha2 n PHE 40 N -0.78 0.83 -4.27 2.11 1.16 -0.83 -5.00 117.46 110.68 3ha2 n PHE 40 Ca 0.54 0.39 -0.34 0.00 -1.87 0.00 0.00 57.45 56.17 3ha2 n PHE 40 Cb 0.71 -2.08 -0.13 0.00 -1.61 0.00 0.00 39.48 36.37 3ha2 n PHE 40 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3ha2 s ASN 41 N -1.84 4.51 0.12 5.98 2.47 -1.26 -5.03 114.94 119.90 3ha2 s ASN 41 Ca 0.73 -0.26 -0.20 0.00 0.42 0.00 0.00 52.86 53.55 3ha2 s ASN 41 Cb -0.32 -1.75 -0.06 0.00 -1.45 0.00 0.00 41.25 37.68 3ha2 s ASN 41 CO 0.51 0.09 1.76 0.58 -3.72 0.00 0.00 177.10 176.32 3ha2 h VAL 42 N 5.40 0.99 -0.53 -5.21 2.07 -1.94 -1.33 116.25 115.71 3ha2 h VAL 42 Ca -0.34 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.16 3ha2 h VAL 42 Cb 1.18 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3ha2 h VAL 42 CO 0.60 0.04 0.28 -0.08 0.02 0.00 0.00 177.57 178.43 3ha2 h GLU 43 N 0.20 0.52 -0.57 1.57 4.81 -1.98 0.24 114.58 119.37 3ha2 h GLU 43 Ca 0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3ha2 h GLU 43 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3ha2 h GLU 43 CO -0.06 0.34 0.19 0.37 -0.73 0.00 0.00 179.01 179.13 3ha2 h GLN 44 N 0.53 0.89 -0.49 1.92 5.75 -1.93 0.12 115.11 121.91 3ha2 h GLN 44 Ca 0.23 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3ha2 h GLN 44 Cb 0.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3ha2 h GLN 44 CO -0.16 0.79 0.19 0.93 -2.65 0.00 0.00 178.83 177.94 3ha2 h GLU 45 N 0.80 0.73 -0.85 1.69 4.39 -0.80 -1.47 114.58 119.07 3ha2 h GLU 45 Ca 0.19 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3ha2 h GLU 45 Cb 0.27 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3ha2 h GLU 45 CO -0.01 0.66 0.40 1.96 -1.16 0.00 0.00 179.01 180.86 3ha2 h GLN 46 N 0.65 1.23 -0.47 2.33 4.20 -0.39 -1.63 115.11 121.03 3ha2 h GLN 46 Ca 0.16 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3ha2 h GLN 46 Cb 0.20 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3ha2 h GLN 46 CO -0.01 0.95 0.26 1.03 -0.67 0.00 0.00 178.83 180.38 3ha2 h SER 47 N 1.21 0.40 -0.64 1.46 0.87 -0.68 -1.34 113.55 114.84 3ha2 h SER 47 Ca 0.29 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3ha2 h SER 47 Cb 0.13 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3ha2 h SER 47 CO -0.04 0.28 0.26 -0.07 -0.53 0.00 0.00 176.83 176.74 3ha2 h LEU 48 N 0.52 0.88 -0.49 2.23 3.38 -0.90 -2.52 115.31 118.40 3ha2 h LEU 48 Ca 0.20 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3ha2 h LEU 48 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3ha2 h LEU 48 CO -0.11 0.81 0.27 -0.07 0.09 0.00 0.00 178.44 179.42 3ha2 h LEU 49 N 0.90 0.40 -1.86 1.67 3.38 -0.97 -2.48 115.31 116.34 3ha2 h LEU 49 Ca 0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3ha2 h LEU 49 Cb 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ha2 h LEU 49 CO -0.02 0.28 -0.11 -0.07 0.09 0.00 0.00 178.44 178.61 3ha2 h LEU 50 N 0.52 0.00 -0.46 1.67 3.38 -0.97 -2.37 115.31 117.09 3ha2 h LEU 50 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ha2 h LEU 50 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ha2 h LEU 50 CO -0.13 0.11 -0.16 0.00 0.09 0.00 0.00 178.44 178.35 3ha2 n GLN 51 N -4.20 0.91 -4.35 1.13 6.02 -0.95 -4.91 117.38 111.03 3ha2 n GLN 51 Ca -0.03 -0.46 -0.24 0.00 -0.01 0.00 0.00 57.00 56.27 3ha2 n GLN 51 Cb 0.19 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.84 3ha2 n GLN 51 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3ha2 s ASN 52 N -2.40 2.89 -0.22 1.08 0.01 -0.89 -4.86 114.94 110.55 3ha2 s ASN 52 Ca 0.29 -0.82 0.11 0.00 -0.71 0.00 0.00 52.86 51.72 3ha2 s ASN 52 Cb 0.20 -0.18 -0.21 0.00 0.41 0.00 0.00 41.25 41.47 3ha2 s ASN 52 CO 0.47 0.03 -0.06 0.47 -1.51 0.00 0.00 177.10 176.51 3ha2 n ASP 53 N 0.46 0.95 -4.14 -1.22 8.00 0.68 -4.90 116.55 116.38 3ha2 n ASP 53 Ca -0.14 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 54.99 3ha2 n ASP 53 Cb 0.56 0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 41.89 3ha2 n ASP 53 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3ha2 s ARG 54 N -2.49 2.78 -0.21 -1.24 3.52 -0.80 -1.24 118.95 119.28 3ha2 s ARG 54 Ca -0.20 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.61 3ha2 s ARG 54 Cb 0.07 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 3ha2 s ARG 54 CO 0.71 0.00 -0.10 0.42 -0.81 0.00 0.00 175.30 175.52 3ha2 s ILE 55 N 0.78 2.85 -0.15 4.11 -1.09 0.13 -0.71 121.20 127.12 3ha2 s ILE 55 Ca -0.09 -0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 57.64 3ha2 s ILE 55 Cb -0.16 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 3ha2 s ILE 55 CO -0.00 0.47 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.45 3ha2 s ILE 56 N 1.40 3.25 -0.25 2.92 1.01 0.14 -0.30 121.20 129.37 3ha2 s ILE 56 Ca 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 3ha2 s ILE 56 Cb -0.14 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3ha2 s ILE 56 CO -0.07 0.50 0.15 -0.76 0.00 0.00 0.00 174.94 174.76 3ha2 s LEU 57 N 0.59 3.98 -0.24 2.97 1.43 0.24 -0.55 118.68 127.10 3ha2 s LEU 57 Ca -0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3ha2 s LEU 57 Cb -0.15 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.03 3ha2 s LEU 57 CO 0.03 0.02 -0.12 -0.70 0.23 0.00 0.00 176.35 175.80 3ha2 s GLU 58 N 1.34 2.52 0.11 1.70 2.12 0.16 -0.69 118.70 125.96 3ha2 s GLU 58 Ca 0.07 -1.16 -0.20 0.00 0.36 0.00 0.00 54.97 54.04 3ha2 s GLU 58 Cb -0.15 -2.83 0.05 0.00 0.26 0.00 0.00 34.13 31.47 3ha2 s GLU 58 CO 0.07 -0.45 0.50 -0.59 -0.54 0.00 0.00 175.26 174.24 3ha2 s PHE 59 N 1.18 -0.38 0.34 5.30 -0.71 -0.54 -0.41 117.98 122.77 3ha2 s PHE 59 Ca -0.04 0.20 -0.21 0.00 -1.04 0.00 0.00 56.93 55.84 3ha2 s PHE 59 Cb -0.18 0.38 -0.10 0.00 -1.21 0.00 0.00 43.02 41.92 3ha2 s PHE 59 CO -0.07 -0.73 0.86 -1.25 -1.34 0.00 0.00 175.22 172.69 3ha2 s PRO 60 N -3.40 4.28 -0.26 1.99 0.04 -1.26 -1.30 135.00 135.09 3ha2 s PRO 60 Ca -0.00 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 3ha2 s PRO 60 Cb 0.00 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 32.01 3ha2 s PRO 60 CO -0.09 0.18 1.04 -1.17 0.04 0.00 0.00 177.00 176.99 3ha2 s LEU 61 N -2.59 4.04 -0.21 -3.56 2.96 0.76 -4.20 118.68 115.88 3ha2 s LEU 61 Ca 0.53 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.68 3ha2 s LEU 61 Cb -0.13 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3ha2 s LEU 61 CO 0.18 -0.73 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.04 3ha2 s TYR 62 N 3.33 2.93 -1.38 5.38 1.51 0.01 -4.70 117.35 124.43 3ha2 s TYR 62 Ca 0.44 -1.59 -0.15 0.00 -1.01 0.00 0.00 57.07 54.77 3ha2 s TYR 62 Cb -0.14 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3ha2 s TYR 62 CO 0.09 -0.76 0.35 0.91 -1.11 0.00 0.00 175.55 175.04 3ha2 n TRP 63 N 4.64 -1.39 -1.35 2.71 7.02 -1.26 -1.75 117.44 126.06 3ha2 n TRP 63 Ca -0.19 0.41 -0.12 0.00 -1.02 0.00 0.00 57.50 56.58 3ha2 n TRP 63 Cb 0.49 -2.94 -0.05 0.00 -2.42 0.00 0.00 31.31 26.38 3ha2 n TRP 63 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3ha2 n TYR 64 N -4.73 0.00 -3.98 -5.99 4.01 -1.26 -4.95 117.16 100.26 3ha2 n TYR 64 Ca -0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.39 3ha2 n TYR 64 Cb 0.64 -2.40 -0.03 0.00 -0.31 0.00 0.00 39.34 37.25 3ha2 n TYR 64 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ha2 s SER 65 N -2.66 0.39 0.62 7.72 1.04 -0.72 -4.94 113.70 115.15 3ha2 s SER 65 Ca 0.00 -1.23 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 3ha2 s SER 65 Cb 0.00 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 3ha2 s SER 65 CO 0.00 -1.37 1.20 0.00 0.98 0.00 0.00 173.24 174.05 3ha2 s ALA 66 N -3.11 2.46 0.81 5.32 0.00 -1.26 -0.81 121.76 125.17 3ha2 s ALA 66 Ca 0.24 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3ha2 s ALA 66 Cb -0.02 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.73 3ha2 s ALA 66 CO 0.15 -1.30 1.12 -2.30 0.00 0.00 0.00 175.76 173.44 3ha2 n PRO 67 N -1.88 0.18 -0.18 0.00 -0.02 -1.26 -4.77 135.00 127.07 3ha2 n PRO 67 Ca 0.13 0.13 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3ha2 n PRO 67 Cb 0.50 -2.37 0.32 0.00 -0.02 0.00 0.00 33.50 31.92 3ha2 n PRO 67 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ha2 h ALA 68 N -0.88 1.61 -0.61 3.55 0.00 -1.96 -2.12 119.26 118.85 3ha2 h ALA 68 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3ha2 h ALA 68 Cb 1.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3ha2 h ALA 68 CO 0.45 0.31 0.20 1.25 0.00 0.00 0.00 179.25 181.46 3ha2 h LEU 69 N 0.84 0.84 -0.64 0.00 5.85 -1.94 0.16 115.31 120.42 3ha2 h LEU 69 Ca 0.29 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3ha2 h LEU 69 Cb 0.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ha2 h LEU 69 CO -0.08 0.78 -0.12 0.25 -0.34 0.00 0.00 178.44 178.92 3ha2 h LEU 70 N 0.88 0.94 -0.79 2.25 5.85 -1.71 -1.77 115.31 120.96 3ha2 h LEU 70 Ca 0.20 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3ha2 h LEU 70 Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3ha2 h LEU 70 CO -0.01 1.07 0.08 0.50 -0.34 0.00 0.00 178.44 179.74 3ha2 h LYS 71 N 0.84 1.00 -0.84 1.25 1.63 -1.00 -2.35 116.57 117.09 3ha2 h LYS 71 Ca 0.13 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3ha2 h LYS 71 Cb 0.66 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 3ha2 h LYS 71 CO 0.05 0.93 0.52 0.37 -3.45 0.00 0.00 179.45 177.87 3ha2 h GLN 72 N 0.94 1.14 -1.13 1.90 5.75 -0.50 -0.02 115.11 123.19 3ha2 h GLN 72 Ca 0.19 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3ha2 h GLN 72 Cb 0.43 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3ha2 h GLN 72 CO 0.01 0.79 0.00 1.87 -2.65 0.00 0.00 178.83 178.85 3ha2 n TRP 73 N -4.45 0.00 0.00 3.99 -0.00 -0.69 -1.57 117.44 114.72 3ha2 n TRP 73 Ca 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 3ha2 n TRP 73 Cb 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.27 3ha2 n TRP 73 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3ha2 n ASP 75 N 0.70 0.00 -0.08 5.87 8.00 -0.02 -0.45 116.55 130.56 3ha2 n ASP 75 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3ha2 n ASP 75 Cb 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 3ha2 n ASP 75 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ha2 n THR 76 N 0.00 0.98 -0.82 -3.53 -1.04 -0.61 -4.72 114.28 104.54 3ha2 n THR 76 Ca 0.00 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.05 61.54 3ha2 n THR 76 Cb 0.00 -1.07 -0.11 0.00 -1.82 0.00 0.00 70.33 67.34 3ha2 n THR 76 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3ha2 n VAL 77 N -2.96 2.63 0.00 12.58 0.31 0.40 -5.00 118.33 126.30 3ha2 n VAL 77 Ca -0.30 -1.13 0.00 0.00 -0.01 0.00 0.00 64.34 62.90 3ha2 n VAL 77 Cb 0.83 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3ha2 n VAL 77 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ha2 n THR 79 N 2.13 0.00 -0.16 2.52 -2.24 -1.26 -4.85 114.28 110.41 3ha2 n THR 79 Ca 0.27 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.03 3ha2 n THR 79 Cb 0.76 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.06 3ha2 n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ha2 h THR 80 N 0.58 0.75 -0.87 4.28 2.02 -1.95 0.14 112.91 117.86 3ha2 h THR 80 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3ha2 h THR 80 Cb 0.00 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 3ha2 h THR 80 CO 0.00 0.05 0.57 0.50 0.37 0.00 0.00 175.52 177.02 3ha2 h LYS 81 N 0.28 1.11 0.00 6.66 3.64 -1.98 -0.79 116.57 125.49 3ha2 h LYS 81 Ca 0.25 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3ha2 h LYS 81 Cb 0.32 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3ha2 h LYS 81 CO -0.30 0.74 -0.71 0.35 -2.27 0.00 0.00 179.45 177.25 3ha2 h PHE 82 N 1.15 0.00 0.00 1.91 3.57 -1.86 -3.37 116.94 118.34 3ha2 h PHE 82 Ca 0.33 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.70 3ha2 h PHE 82 Cb -0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3ha2 h PHE 82 CO -0.00 0.75 -0.79 0.00 -2.23 0.00 0.00 178.31 176.03 3ha2 h ALA 83 N -0.67 0.65 -3.00 2.41 0.00 -1.05 -0.78 119.26 116.82 3ha2 h ALA 83 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3ha2 h ALA 83 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ha2 h ALA 83 CO -0.09 0.73 0.00 0.25 0.00 0.00 0.00 179.25 180.14 3ha2 n THR 84 N -3.13 0.00 0.00 0.00 -2.24 -0.43 -4.20 114.28 104.29 3ha2 n THR 84 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ha2 n THR 84 Cb 0.77 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3ha2 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ha2 n GLY 85 N 2.21 3.50 0.99 3.38 0.00 -0.46 -0.87 105.19 113.93 3ha2 n GLY 85 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3ha2 n GLY 85 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ha2 n HIS 86 N 14.00 0.79 -0.06 1.61 8.25 -1.26 -4.66 115.22 133.89 3ha2 n HIS 86 Ca 0.00 -0.55 -0.12 0.00 -0.26 0.00 0.00 57.72 56.79 3ha2 n HIS 86 Cb 0.00 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 3ha2 n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3ha2 n GLN 87 N 0.80 0.29 -4.03 -0.41 7.27 -0.68 -5.04 117.38 115.58 3ha2 n GLN 87 Ca 0.18 0.10 -0.44 0.00 0.07 0.00 0.00 57.00 56.91 3ha2 n GLN 87 Cb 0.59 -1.09 0.02 0.00 2.41 0.00 0.00 30.24 32.17 3ha2 n GLN 87 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3ha2 n TYR 88 N -3.29 -1.47 0.26 3.69 4.01 -0.05 -4.79 117.16 115.52 3ha2 n TYR 88 Ca -0.24 0.15 0.12 0.00 -0.16 0.00 0.00 57.90 57.76 3ha2 n TYR 88 Cb 0.71 -2.81 0.76 0.00 -0.31 0.00 0.00 39.34 37.68 3ha2 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ha2 h ALA 89 N 1.58 1.83 -0.02 -0.72 0.00 -1.30 -2.08 119.26 118.54 3ha2 h ALA 89 Ca -0.71 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3ha2 h ALA 89 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ha2 h ALA 89 CO 0.50 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.98 3ha2 n LEU 90 N -4.22 1.84 -4.68 0.00 4.77 -1.26 -4.94 117.00 108.51 3ha2 n LEU 90 Ca -0.02 -0.62 -0.45 0.00 -0.03 0.00 0.00 56.01 54.89 3ha2 n LEU 90 Cb 0.13 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3ha2 n LEU 90 CO 0.31 0.31 1.34 1.21 -1.33 0.00 0.00 177.39 179.23 3ha2 n GLU 91 N 0.44 2.37 0.00 3.23 2.13 -0.79 -1.39 120.64 126.64 3ha2 n GLU 91 Ca 0.18 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.86 3ha2 n GLU 91 Cb 0.41 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.44 3ha2 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ha2 n GLY 92 N 3.85 2.04 3.83 8.31 0.00 -0.28 -5.04 105.19 117.90 3ha2 n GLY 92 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3ha2 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha2 s LYS 93 N -0.40 3.35 -0.10 1.61 1.02 -0.48 -5.05 119.74 119.70 3ha2 s LYS 93 Ca 0.00 0.95 -0.08 0.00 0.02 0.00 0.00 55.97 56.86 3ha2 s LYS 93 Cb 0.00 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 3ha2 s LYS 93 CO 0.00 -0.77 0.18 -1.21 -0.92 0.00 0.00 175.35 172.64 3ha2 s GLU 94 N -4.72 3.51 -0.18 1.68 2.02 -0.37 -4.82 118.70 115.82 3ha2 s GLU 94 Ca 0.58 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.50 3ha2 s GLU 94 Cb -0.13 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 3ha2 s GLU 94 CO 0.47 0.76 -0.08 -1.17 0.02 0.00 0.00 175.26 175.26 3ha2 s LEU 95 N -1.08 2.82 0.27 1.80 2.96 -1.26 -0.69 118.68 123.49 3ha2 s LEU 95 Ca 0.17 -0.35 0.12 0.00 -0.22 0.00 0.00 54.13 53.84 3ha2 s LEU 95 Cb -0.13 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3ha2 s LEU 95 CO 0.06 0.07 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.13 3ha2 s GLY 96 N 0.93 1.83 -0.08 7.98 0.00 0.59 -1.23 107.32 117.35 3ha2 s GLY 96 Ca -0.01 -1.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.86 3ha2 s GLY 96 CO 0.00 -1.93 -0.03 -0.42 0.00 0.00 0.00 173.10 170.72 3ha2 s ILE 97 N -2.50 0.62 -0.43 0.90 -1.09 -1.26 -0.60 121.20 116.84 3ha2 s ILE 97 Ca 0.29 -0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 3ha2 s ILE 97 Cb -0.05 -0.71 0.11 0.00 -1.58 0.00 0.00 42.46 40.24 3ha2 s ILE 97 CO 0.14 0.29 0.26 -0.69 -1.23 0.00 0.00 174.94 173.71 3ha2 s VAL 98 N 1.66 3.63 -0.19 2.92 1.01 0.13 -0.44 120.40 129.13 3ha2 s VAL 98 Ca 0.01 -1.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.00 3ha2 s VAL 98 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3ha2 s VAL 98 CO -0.05 -0.73 -0.06 0.54 0.00 0.00 0.00 175.10 174.80 3ha2 s VAL 99 N 1.21 3.40 -0.00 2.92 0.11 -0.67 -1.46 120.40 125.90 3ha2 s VAL 99 Ca 0.07 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 3ha2 s VAL 99 Cb -0.24 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 3ha2 s VAL 99 CO -0.03 0.46 0.03 -0.94 -3.33 0.00 0.00 175.10 171.29 3ha2 s SER 100 N 0.98 5.34 0.06 3.54 1.04 -0.42 -0.43 113.70 123.81 3ha2 s SER 100 Ca -0.00 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.51 3ha2 s SER 100 Cb -0.15 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 3ha2 s SER 100 CO 0.00 0.28 -0.09 0.42 0.98 0.00 0.00 173.24 174.83 3ha2 s THR 101 N -1.13 0.74 -2.39 2.02 -4.23 0.15 -0.17 115.64 110.64 3ha2 s THR 101 Ca 0.21 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.65 3ha2 s THR 101 Cb -0.12 -0.95 0.52 0.00 1.34 0.00 0.00 72.50 73.29 3ha2 s THR 101 CO 0.12 -0.44 1.68 0.61 -0.54 0.00 0.00 174.62 176.05 3ha2 n GLY 102 N 1.09 0.07 3.92 3.99 0.00 -1.26 -0.54 105.19 112.46 3ha2 n GLY 102 Ca -0.20 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3ha2 n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ha2 s ASP 103 N -1.83 6.37 0.38 1.61 1.01 -1.26 -4.72 116.67 118.24 3ha2 s ASP 103 Ca 0.36 0.30 -0.28 0.00 0.71 0.00 0.00 52.55 53.64 3ha2 s ASP 103 Cb 0.20 -1.97 -0.11 0.00 1.01 0.00 0.00 42.92 42.04 3ha2 s ASP 103 CO 0.31 0.15 1.43 -3.20 0.21 0.00 0.00 175.17 174.06 3ha2 n ASN 104 N 0.21 3.44 0.21 0.27 2.85 -1.26 -4.25 115.26 116.74 3ha2 n ASN 104 Ca -0.05 1.20 0.10 0.00 -0.11 0.00 0.00 54.58 55.73 3ha2 n ASN 104 Cb 0.51 -1.58 0.65 0.00 1.24 0.00 0.00 39.78 40.60 3ha2 n ASN 104 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3ha2 h GLY 105 N 2.73 0.00 2.00 8.20 0.00 -1.97 -2.30 103.07 111.72 3ha2 h GLY 105 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3ha2 h GLY 105 CO 0.63 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.87 3ha2 n ASN 106 N -4.50 0.00 0.23 0.19 3.02 -1.26 -2.29 115.26 110.65 3ha2 n ASN 106 Ca -0.00 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 3ha2 n ASN 106 Cb 0.19 -0.50 0.39 0.00 -0.61 0.00 0.00 39.78 39.25 3ha2 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ha2 h ALA 107 N 2.54 0.97 -1.78 5.41 0.00 -1.79 -3.40 119.26 121.22 3ha2 h ALA 107 Ca 0.00 -0.09 -0.78 0.00 0.00 0.00 0.00 54.91 54.04 3ha2 h ALA 107 Cb 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.82 3ha2 h ALA 107 CO 0.00 0.13 1.12 1.19 0.00 0.00 0.00 179.25 181.69 3ha2 n PHE 108 N -3.17 3.67 -3.56 0.00 3.72 -0.97 -1.19 117.46 115.96 3ha2 n PHE 108 Ca 0.02 -3.10 -0.07 0.00 -0.05 0.00 0.00 57.45 54.25 3ha2 n PHE 108 Cb 0.45 -1.71 -0.02 0.00 -0.94 0.00 0.00 39.48 37.26 3ha2 n PHE 108 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3ha2 s GLN 109 N -0.83 0.89 0.28 -1.08 -2.07 -1.22 -3.88 119.66 111.74 3ha2 s GLN 109 Ca 0.35 -0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 53.22 3ha2 s GLN 109 Cb 0.01 0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 32.18 3ha2 s GLN 109 CO 0.02 -0.39 1.42 0.00 -1.32 0.00 0.00 175.29 175.02 3ha2 n ALA 110 N -0.29 1.54 0.00 2.60 0.00 -1.13 -2.04 120.51 121.18 3ha2 n ALA 110 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3ha2 n ALA 110 Cb 0.62 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3ha2 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ha2 n GLY 111 N 1.74 2.40 3.22 0.00 0.00 -1.26 -4.96 105.19 106.33 3ha2 n GLY 111 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3ha2 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha2 n ALA 112 N -0.58 0.92 -0.30 4.61 0.00 -0.87 -4.99 120.51 119.31 3ha2 n ALA 112 Ca 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 53.44 51.79 3ha2 n ALA 112 Cb 0.00 0.45 0.22 0.00 0.00 0.00 0.00 19.45 20.12 3ha2 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ha2 h ALA 113 N 0.09 1.29 -0.00 0.00 0.00 -1.83 -2.56 119.26 116.24 3ha2 h ALA 113 Ca -0.23 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ha2 h ALA 113 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3ha2 h ALA 113 CO 0.32 -0.06 -0.66 0.39 0.00 0.00 0.00 179.25 179.24 3ha2 n GLU 114 N -4.85 0.23 0.00 0.00 -0.58 -0.33 -4.97 120.64 110.15 3ha2 n GLU 114 Ca 0.17 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ha2 n GLU 114 Cb 0.42 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3ha2 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ha2 n LYS 115 N -1.24 0.00 -5.00 3.49 5.02 -0.97 -4.85 118.16 114.62 3ha2 n LYS 115 Ca 0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 3ha2 n LYS 115 Cb 0.35 -1.91 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 3ha2 n LYS 115 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3ha2 s PHE 116 N -0.11 2.04 0.73 2.13 0.08 -1.26 -2.83 117.98 118.76 3ha2 s PHE 116 Ca 0.00 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 3ha2 s PHE 116 Cb 0.00 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 3ha2 s PHE 116 CO 0.00 0.02 1.07 0.95 -0.10 0.00 0.00 175.22 177.16 3ha2 s THR 117 N -0.63 3.69 0.29 0.64 -4.23 -1.25 -3.46 115.64 110.69 3ha2 s THR 117 Ca 0.09 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 3ha2 s THR 117 Cb -0.09 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.73 3ha2 s THR 117 CO 0.00 -0.72 1.91 0.40 -0.54 0.00 0.00 174.62 175.67 3ha2 h ILE 118 N -0.85 1.10 -0.44 2.99 1.08 -1.96 -1.72 117.51 117.70 3ha2 h ILE 118 Ca -0.45 -0.38 0.08 0.00 -0.39 0.00 0.00 64.86 63.72 3ha2 h ILE 118 Cb 1.23 -0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.81 3ha2 h ILE 118 CO 0.58 0.20 0.04 0.28 -0.69 0.00 0.00 178.15 178.55 3ha2 h SER 119 N 1.10 -0.11 -0.65 1.72 0.02 -1.95 -2.26 113.55 111.42 3ha2 h SER 119 Ca 0.39 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.36 3ha2 h SER 119 Cb 0.14 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3ha2 h SER 119 CO -0.14 -0.02 0.13 -0.33 -1.14 0.00 0.00 176.83 175.32 3ha2 h GLU 120 N 0.15 1.08 -1.96 3.45 5.08 -1.75 -3.15 114.58 117.48 3ha2 h GLU 120 Ca 0.22 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ha2 h GLU 120 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ha2 h GLU 120 CO -0.33 0.98 0.00 1.28 -1.00 0.00 0.00 179.01 179.93 3ha2 n LEU 121 N -4.22 2.67 0.00 1.33 4.77 -0.72 -4.77 117.00 116.06 3ha2 n LEU 121 Ca 0.05 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3ha2 n LEU 121 Cb 0.28 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3ha2 n LEU 121 CO 0.43 0.50 0.00 -1.14 -1.33 0.00 0.00 177.39 175.85 3ha2 n ARG 123 N 1.67 0.00 0.05 3.23 3.00 -1.19 -4.91 116.66 118.50 3ha2 n ARG 123 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3ha2 n ARG 123 Cb 0.26 0.00 0.59 0.00 0.00 0.00 0.00 32.46 33.30 3ha2 n ARG 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3ha2 h PRO 124 N 0.00 0.19 -0.07 -0.14 0.11 -1.93 0.13 132.00 130.29 3ha2 h PRO 124 Ca 0.00 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.89 3ha2 h PRO 124 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3ha2 h PRO 124 CO 0.00 0.12 -0.81 0.74 -0.21 0.00 0.00 178.00 177.85 3ha2 h PHE 125 N 0.19 0.69 -0.46 0.65 0.04 -1.99 -1.58 116.94 114.50 3ha2 h PHE 125 Ca 0.18 -0.33 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 3ha2 h PHE 125 Cb 0.46 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3ha2 h PHE 125 CO -0.00 1.12 0.22 1.49 -0.60 0.00 0.00 178.31 180.53 3ha2 h GLU 126 N 0.32 0.66 -0.65 1.51 4.81 -1.77 -0.72 114.58 118.74 3ha2 h GLU 126 Ca -0.05 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 3ha2 h GLU 126 Cb 1.41 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 3ha2 h GLU 126 CO 0.15 0.57 0.21 0.00 -0.73 0.00 0.00 179.01 179.20 3ha2 h ALA 127 N 1.06 1.14 -0.06 2.92 0.00 -0.94 -0.33 119.26 123.04 3ha2 h ALA 127 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ha2 h ALA 127 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ha2 h ALA 127 CO -0.02 0.60 -0.04 0.35 0.00 0.00 0.00 179.25 180.14 3ha2 h PHE 128 N 0.96 -0.09 -0.62 0.00 3.57 -1.05 -0.37 116.94 119.33 3ha2 h PHE 128 Ca 0.21 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3ha2 h PHE 128 Cb 0.27 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3ha2 h PHE 128 CO 0.02 -0.06 0.36 0.00 -2.23 0.00 0.00 178.31 176.40 3ha2 h ALA 129 N 1.01 0.82 -0.47 2.41 0.00 -0.80 -0.74 119.26 121.49 3ha2 h ALA 129 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ha2 h ALA 129 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ha2 h ALA 129 CO -0.08 0.06 0.28 -0.91 0.00 0.00 0.00 179.25 178.60 3ha2 h ASN 130 N 0.69 0.56 -0.55 0.00 -0.26 -0.85 -1.92 115.58 113.25 3ha2 h ASN 130 Ca 0.26 -0.05 -0.07 0.00 -0.56 0.00 0.00 56.30 55.88 3ha2 h ASN 130 Cb 0.10 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3ha2 h ASN 130 CO -0.14 0.45 0.09 0.50 -1.06 0.00 0.00 177.43 177.26 3ha2 h LYS 131 N 0.62 0.96 -0.31 0.81 1.63 -0.59 -2.80 116.57 116.89 3ha2 h LYS 131 Ca 0.17 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 3ha2 h LYS 131 Cb -0.01 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3ha2 h LYS 131 CO -0.03 0.90 0.00 0.25 -3.45 0.00 0.00 179.45 177.11 3ha2 n THR 132 N -4.22 0.40 -2.53 1.00 -2.24 -0.33 -4.96 114.28 101.40 3ha2 n THR 132 Ca 0.04 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.22 3ha2 n THR 132 Cb 0.28 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3ha2 n THR 132 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ha2 n LYS 133 N 0.82 -1.75 -3.49 -0.78 5.02 -0.73 -3.49 118.16 113.75 3ha2 n LYS 133 Ca 0.17 1.70 0.01 0.00 -2.02 0.00 0.00 58.31 58.17 3ha2 n LYS 133 Cb 0.43 -4.68 -0.04 0.00 -0.02 0.00 0.00 35.03 30.72 3ha2 n LYS 133 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3ha2 s TYR 136 N -2.27 -0.87 0.55 2.13 5.04 -1.26 -1.13 117.35 119.53 3ha2 s TYR 136 Ca 0.18 1.52 -0.11 0.00 -2.44 0.00 0.00 57.07 56.21 3ha2 s TYR 136 Cb -0.05 0.52 -0.05 0.00 0.35 0.00 0.00 41.96 42.73 3ha2 s TYR 136 CO 0.58 -0.43 0.95 -0.51 -1.34 0.00 0.00 175.55 174.80 3ha2 s LEU 137 N 2.53 3.46 0.52 6.97 1.43 -0.37 -4.95 118.68 128.27 3ha2 s LEU 137 Ca -0.04 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.19 3ha2 s LEU 137 Cb -0.08 -4.34 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3ha2 s LEU 137 CO -0.18 -0.70 1.28 -2.65 0.23 0.00 0.00 176.35 174.33 3ha2 n PRO 138 N -2.21 1.64 -2.45 1.29 -0.02 -1.26 -4.82 135.00 127.17 3ha2 n PRO 138 Ca 0.05 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3ha2 n PRO 138 Cb 0.54 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3ha2 n PRO 138 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ha2 s ILE 139 N -1.30 3.55 -0.57 4.25 1.01 -1.26 -4.68 121.20 122.20 3ha2 s ILE 139 Ca 0.69 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 62.63 3ha2 s ILE 139 Cb -0.44 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.21 3ha2 s ILE 139 CO 0.51 0.31 0.61 -0.22 0.00 0.00 0.00 174.94 176.16 3ha2 s LEU 140 N -1.04 5.77 -0.06 2.97 2.96 0.42 -5.01 118.68 124.69 3ha2 s LEU 140 Ca 0.47 -1.61 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 3ha2 s LEU 140 Cb -0.32 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 3ha2 s LEU 140 CO 0.39 -0.99 0.53 0.00 -1.32 0.00 0.00 176.35 174.96 3ha2 s ALA 141 N 2.16 3.49 -0.30 5.97 0.00 -1.26 -1.67 121.76 130.15 3ha2 s ALA 141 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3ha2 s ALA 141 Cb -0.27 -2.68 0.08 0.00 0.00 0.00 0.00 23.12 20.25 3ha2 s ALA 141 CO 0.05 0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.97 3ha2 s VAL 142 N 0.17 2.12 -0.29 0.00 1.01 0.43 -4.95 120.40 118.87 3ha2 s VAL 142 Ca 0.29 -1.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 3ha2 s VAL 142 Cb -0.17 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 3ha2 s VAL 142 CO 0.14 -0.34 0.11 -1.00 0.00 0.00 0.00 175.10 174.00 3ha2 s HIS 143 N 1.05 3.15 -1.27 5.22 3.76 -1.26 -0.67 115.29 125.26 3ha2 s HIS 143 Ca 0.02 -0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 54.17 3ha2 s HIS 143 Cb -0.19 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.21 3ha2 s HIS 143 CO -0.07 -0.49 1.09 1.04 -0.85 0.00 0.00 174.74 175.45 3ha2 n GLN 144 N 4.92 -7.25 -0.24 1.40 6.02 0.30 -4.88 117.38 117.65 3ha2 n GLN 144 Ca -0.15 0.84 0.05 0.00 -0.01 0.00 0.00 57.00 57.73 3ha2 n GLN 144 Cb 0.49 -5.88 0.17 0.00 1.02 0.00 0.00 30.24 26.04 3ha2 n GLN 144 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3ha2 h PHE 145 N -2.27 0.40 0.00 1.08 3.57 -1.81 -0.17 116.94 117.74 3ha2 h PHE 145 Ca -0.58 0.04 0.00 0.00 3.53 0.00 0.00 57.97 60.96 3ha2 h PHE 145 Cb 1.35 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3ha2 h PHE 145 CO 0.47 0.01 0.00 -0.07 -2.23 0.00 0.00 178.31 176.48 3ha2 h LEU 146 N 0.37 0.00 0.00 0.59 3.38 -1.96 -2.71 115.31 114.98 3ha2 h LEU 146 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3ha2 h LEU 146 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3ha2 h LEU 146 CO -0.43 0.00 -0.73 0.22 0.09 0.00 0.00 178.44 177.59 3ha2 h TYR 147 N 0.00 0.00 -4.04 1.13 3.20 -1.40 -3.48 116.97 112.38 3ha2 h TYR 147 Ca 0.00 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.35 3ha2 h TYR 147 Cb 0.46 0.00 0.10 0.00 1.54 0.00 0.00 36.73 38.82 3ha2 h TYR 147 CO 0.00 0.00 0.52 -0.51 -1.64 0.00 0.00 178.16 176.53 3ha2 s LEU 148 N -4.98 3.86 0.57 2.82 1.43 -1.02 -4.97 118.68 116.38 3ha2 s LEU 148 Ca 0.03 2.46 -0.21 0.00 -1.03 0.00 0.00 54.13 55.38 3ha2 s LEU 148 Cb 0.11 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 3ha2 s LEU 148 CO 0.75 -1.30 1.23 -0.62 0.23 0.00 0.00 176.35 176.63 3ha2 n GLU 149 N -0.97 1.38 -0.32 1.70 1.02 -1.26 -4.66 120.64 117.53 3ha2 n GLU 149 Ca 0.10 0.52 0.20 0.00 -0.02 0.00 0.00 57.16 57.96 3ha2 n GLU 149 Cb 0.48 -2.43 0.41 0.00 -0.02 0.00 0.00 31.44 29.87 3ha2 n GLU 149 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ha2 h PRO 150 N 1.07 0.15 -0.55 3.49 0.11 -1.98 0.63 132.00 134.92 3ha2 h PRO 150 Ca -0.50 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 3ha2 h PRO 150 Cb 1.33 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3ha2 h PRO 150 CO 0.55 0.10 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.90 3ha2 h ASP 151 N 0.15 1.04 -0.09 -2.05 3.32 -1.99 -0.70 116.42 116.10 3ha2 h ASP 151 Ca 0.68 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 57.25 3ha2 h ASP 151 Cb 1.54 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3ha2 h ASP 151 CO -0.72 1.14 -0.42 0.00 -1.72 0.00 0.00 179.24 177.52 3ha2 h ALA 152 N 0.95 0.78 0.04 3.45 0.00 -1.53 -1.95 119.26 121.00 3ha2 h ALA 152 Ca 0.14 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3ha2 h ALA 152 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ha2 h ALA 152 CO 0.05 0.66 -0.09 1.96 0.00 0.00 0.00 179.25 181.82 3ha2 h GLN 153 N 0.51 -0.17 -0.91 0.00 4.20 -0.62 -1.90 115.11 116.22 3ha2 h GLN 153 Ca 0.04 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.82 3ha2 h GLN 153 Cb 0.94 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 3ha2 h GLN 153 CO 0.09 -0.11 0.58 1.96 -0.67 0.00 0.00 178.83 180.67 3ha2 h GLN 154 N -0.18 1.03 -0.70 1.46 1.08 -1.06 -1.33 115.11 115.42 3ha2 h GLN 154 Ca 0.02 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3ha2 h GLN 154 Cb 0.20 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3ha2 h GLN 154 CO -0.06 0.68 0.24 0.00 -0.95 0.00 0.00 178.83 178.74 3ha2 h ARG 155 N 1.06 1.06 -0.47 1.46 3.08 -1.15 -2.08 114.38 117.34 3ha2 h ARG 155 Ca 0.39 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3ha2 h ARG 155 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3ha2 h ARG 155 CO -0.17 0.91 -0.09 1.25 -1.07 0.00 0.00 179.97 180.80 3ha2 h LEU 156 N 1.01 0.83 -1.00 3.04 6.46 -0.88 -2.08 115.31 122.67 3ha2 h LEU 156 Ca 0.23 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 3ha2 h LEU 156 Cb 0.27 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3ha2 h LEU 156 CO -0.01 0.94 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.61 3ha2 h LEU 157 N 0.76 0.61 -0.62 2.25 3.38 -0.89 0.07 115.31 120.87 3ha2 h LEU 157 Ca 0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ha2 h LEU 157 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3ha2 h LEU 157 CO 0.04 0.73 0.24 0.58 0.09 0.00 0.00 178.44 180.13 3ha2 h VAL 158 N 0.59 1.23 -0.93 1.22 2.07 -1.17 -0.92 116.25 118.35 3ha2 h VAL 158 Ca 0.11 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3ha2 h VAL 158 Cb 0.49 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3ha2 h VAL 158 CO 0.03 0.29 0.55 0.00 0.02 0.00 0.00 177.57 178.45 3ha2 h ALA 159 N 1.09 1.21 -0.46 1.67 0.00 -0.88 -1.58 119.26 120.31 3ha2 h ALA 159 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ha2 h ALA 159 Cb 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ha2 h ALA 159 CO -0.02 0.66 0.21 -0.92 0.00 0.00 0.00 179.25 179.19 3ha2 h TYR 160 N 1.29 0.67 -0.53 0.00 3.20 -0.71 0.83 116.97 121.71 3ha2 h TYR 160 Ca 0.33 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3ha2 h TYR 160 Cb -0.03 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 3ha2 h TYR 160 CO 0.01 0.55 0.30 1.96 -1.64 0.00 0.00 178.16 179.34 3ha2 h GLN 161 N 0.60 0.58 -0.64 1.82 4.20 -0.88 -0.99 115.11 119.80 3ha2 h GLN 161 Ca 0.16 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3ha2 h GLN 161 Cb 0.13 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3ha2 h GLN 161 CO -0.02 0.38 0.28 1.96 -0.67 0.00 0.00 178.83 180.76 3ha2 h GLN 162 N 0.59 0.94 -0.89 1.46 1.08 -1.06 -1.78 115.11 115.45 3ha2 h GLN 162 Ca 0.22 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3ha2 h GLN 162 Cb 0.07 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 3ha2 h GLN 162 CO -0.12 0.77 0.57 -0.92 -0.95 0.00 0.00 178.83 178.18 3ha2 h TYR 163 N 0.89 1.05 0.00 2.96 3.20 -0.31 0.49 116.97 125.25 3ha2 h TYR 163 Ca 0.22 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3ha2 h TYR 163 Cb 0.17 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3ha2 h TYR 163 CO 0.01 0.57 -0.34 0.00 -1.64 0.00 0.00 178.16 176.75 3ha2 h ALA 164 N 1.39 0.80 0.00 1.82 0.00 -0.99 -3.41 119.26 118.88 3ha2 h ALA 164 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ha2 h ALA 164 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ha2 h ALA 164 CO -0.15 0.43 -0.54 0.25 0.00 0.00 0.00 179.25 179.24 3ha2 n THR 165 N -3.22 0.00 -1.59 0.00 -2.24 -0.69 -4.75 114.28 101.79 3ha2 n THR 165 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 3ha2 n THR 165 Cb 0.64 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 3ha2 n THR 165 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ha2 n ASN 166 N -1.23 3.14 -0.29 3.42 5.15 0.17 -4.82 115.26 120.80 3ha2 n ASN 166 Ca 0.00 0.14 -0.05 0.00 -0.60 0.00 0.00 54.58 54.07 3ha2 n ASN 166 Cb 0.22 -1.55 0.07 0.00 -0.53 0.00 0.00 39.78 37.99 3ha2 n ASN 166 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3ha2 h VAL 167 N 7.21 1.24 0.00 3.44 3.04 -1.95 -3.47 116.25 125.77 3ha2 h VAL 167 Ca -0.39 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 3ha2 h VAL 167 Cb 1.25 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3ha2 h VAL 167 CO 0.98 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 178.43