#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 2.68 -0.22 5.09 2.01 -0.51 -0.35 115.64 124.35 3ha2 s THR 3 Ca 0.00 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 3ha2 s THR 3 Cb 0.00 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 3ha2 s THR 3 CO 0.00 0.54 0.02 -0.22 -0.69 0.00 0.00 174.62 174.27 3ha2 s LEU 4 N 0.38 3.29 -0.32 4.42 2.96 0.21 -0.26 118.68 129.36 3ha2 s LEU 4 Ca -0.13 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 3ha2 s LEU 4 Cb -0.17 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ha2 s LEU 4 CO 0.06 0.03 0.15 -0.63 -1.32 0.00 0.00 176.35 174.64 3ha2 s ILE 5 N 1.23 4.42 -0.47 6.68 1.01 0.28 -0.43 121.20 133.91 3ha2 s ILE 5 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 3ha2 s ILE 5 Cb -0.15 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.03 3ha2 s ILE 5 CO 0.02 -0.02 0.81 -0.63 0.00 0.00 0.00 174.94 175.12 3ha2 s ILE 6 N 1.56 4.61 -0.36 2.92 -1.09 0.71 -0.62 121.20 128.93 3ha2 s ILE 6 Ca 0.03 0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 3ha2 s ILE 6 Cb -0.18 -4.37 -0.00 0.00 -1.58 0.00 0.00 42.46 36.34 3ha2 s ILE 6 CO 0.05 -0.81 0.24 -0.69 -1.23 0.00 0.00 174.94 172.51 3ha2 s VAL 7 N 3.38 5.13 -0.68 2.92 1.01 -0.43 -0.50 120.40 131.23 3ha2 s VAL 7 Ca 0.29 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3ha2 s VAL 7 Cb -0.13 -3.72 0.20 0.00 0.00 0.00 0.00 36.38 32.74 3ha2 s VAL 7 CO 0.21 -0.11 0.60 0.00 0.00 0.00 0.00 175.10 175.80 3ha2 n ALA 8 N 5.10 3.68 -3.92 5.51 0.00 0.05 -1.47 120.51 129.45 3ha2 n ALA 8 Ca -0.12 -4.63 -0.34 0.00 0.00 0.00 0.00 53.44 48.35 3ha2 n ALA 8 Cb 0.48 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.87 2.94 -1.39 0.00 2.46 -1.26 -4.40 115.29 111.76 3ha2 s HIS 9 Ca 0.31 -1.60 0.14 0.00 0.47 0.00 0.00 55.06 54.38 3ha2 s HIS 9 Cb 0.03 -1.98 0.70 0.00 -0.13 0.00 0.00 32.58 31.20 3ha2 s HIS 9 CO -0.11 -0.76 1.38 -0.35 -2.47 0.00 0.00 174.74 172.43 3ha2 n PRO 10 N 4.64 0.18 -2.97 2.88 -0.04 -1.26 -2.88 135.00 135.55 3ha2 n PRO 10 Ca -0.19 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 3ha2 n PRO 10 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3ha2 n PRO 10 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ha2 n GLU 11 N -1.30 1.34 -0.35 0.54 0.28 -1.26 -4.99 120.64 114.89 3ha2 n GLU 11 Ca 0.06 -3.52 -0.02 0.00 -0.16 0.00 0.00 57.16 53.52 3ha2 n GLU 11 Cb 0.12 -1.64 0.12 0.00 1.43 0.00 0.00 31.44 31.47 3ha2 n GLU 11 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3ha2 h LEU 12 N 2.98 1.12 -1.86 -1.84 5.85 -1.94 -1.78 115.31 117.85 3ha2 h LEU 12 Ca 0.05 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3ha2 h LEU 12 Cb 0.99 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3ha2 h LEU 12 CO 0.54 0.83 -0.13 0.00 -0.34 0.00 0.00 178.44 179.34 3ha2 h ALA 13 N 1.37 1.37 0.00 1.25 0.00 -1.94 -2.21 119.26 119.10 3ha2 h ALA 13 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ha2 h ALA 13 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ha2 h ALA 13 CO -0.07 0.17 -0.76 0.54 0.00 0.00 0.00 179.25 179.13 3ha2 n ARG 14 N -3.78 0.28 -1.87 0.00 1.74 -0.70 -4.93 116.66 107.40 3ha2 n ARG 14 Ca -0.02 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 3ha2 n ARG 14 Cb 0.24 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 3ha2 n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ha2 s SER 15 N -4.08 6.49 -0.01 0.55 0.15 -0.83 -4.91 113.70 111.05 3ha2 s SER 15 Ca 0.05 2.83 0.19 0.00 0.70 0.00 0.00 55.95 59.72 3ha2 s SER 15 Cb 0.14 -2.63 -0.25 0.00 -1.71 0.00 0.00 66.02 61.57 3ha2 s SER 15 CO 0.75 -0.83 0.64 0.59 1.20 0.00 0.00 173.24 175.59 3ha2 n ASN 16 N 2.37 0.73 -0.08 5.45 4.13 -1.26 -4.45 115.26 122.15 3ha2 n ASN 16 Ca 0.08 -0.54 -0.15 0.00 1.68 0.00 0.00 54.58 55.65 3ha2 n ASN 16 Cb 0.38 1.39 -0.13 0.00 -1.54 0.00 0.00 39.78 39.88 3ha2 n ASN 16 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3ha2 h THR 17 N 0.00 1.64 -0.95 3.41 2.02 -1.97 -3.40 112.91 113.67 3ha2 h THR 17 Ca 0.00 -2.32 0.10 0.00 0.77 0.00 0.00 66.41 64.96 3ha2 h THR 17 Cb 0.64 3.19 -0.07 0.00 -1.74 0.00 0.00 68.15 70.17 3ha2 h THR 17 CO 0.00 0.56 0.61 1.56 0.37 0.00 0.00 175.52 178.61 3ha2 h GLN 18 N -1.00 0.92 -0.89 6.66 1.08 -1.93 -2.72 115.11 117.24 3ha2 h GLN 18 Ca -0.06 -0.06 0.19 0.00 -1.45 0.00 0.00 58.65 57.27 3ha2 h GLN 18 Cb 1.06 -0.21 -0.11 0.00 -0.05 0.00 0.00 27.48 28.17 3ha2 h GLN 18 CO -0.04 0.61 0.43 -1.35 -0.95 0.00 0.00 178.83 177.54 3ha2 h PRO 19 N 0.95 0.50 -0.15 1.46 0.11 -1.79 0.78 132.00 133.87 3ha2 h PRO 19 Ca 0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 3ha2 h PRO 19 Cb 0.42 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3ha2 h PRO 19 CO -0.21 0.33 -0.06 0.74 -0.21 0.00 0.00 178.00 178.60 3ha2 h PHE 20 N 0.52 0.23 0.18 0.65 0.04 -1.73 -2.72 116.94 114.11 3ha2 h PHE 20 Ca 0.52 -0.02 -0.27 0.00 2.80 0.00 0.00 57.97 61.01 3ha2 h PHE 20 Cb 0.89 -0.07 0.02 0.00 2.20 0.00 0.00 35.95 39.00 3ha2 h PHE 20 CO -0.11 0.29 -1.21 0.74 -0.60 0.00 0.00 178.31 177.42 3ha2 h PHE 21 N 0.22 0.70 -0.46 -0.55 0.04 -0.98 -2.94 116.94 112.98 3ha2 h PHE 21 Ca 0.05 -0.51 0.03 0.00 2.80 0.00 0.00 57.97 60.34 3ha2 h PHE 21 Cb 0.25 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 3ha2 h PHE 21 CO 0.00 1.47 0.25 -0.22 -0.60 0.00 0.00 178.31 179.21 3ha2 h LYS 22 N -0.14 0.48 -0.84 1.51 3.64 -1.15 -2.52 116.57 117.55 3ha2 h LYS 22 Ca -0.22 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3ha2 h LYS 22 Cb 1.88 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.53 3ha2 h LYS 22 CO 0.19 0.32 0.55 0.00 -2.27 0.00 0.00 179.45 178.23 3ha2 h ALA 23 N 1.23 1.93 0.00 5.00 0.00 -1.54 -1.57 119.26 124.30 3ha2 h ALA 23 Ca 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ha2 h ALA 23 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ha2 h ALA 23 CO -0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 179.25 178.77 3ha2 h ALA 24 N 1.61 1.18 -0.00 0.00 0.00 -1.26 -3.25 119.26 117.54 3ha2 h ALA 24 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ha2 h ALA 24 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ha2 h ALA 24 CO -0.17 0.26 -0.07 0.44 0.00 0.00 0.00 179.25 179.71 3ha2 n ILE 25 N -3.60 0.00 0.04 0.00 -6.64 -0.76 -4.74 119.36 103.65 3ha2 n ILE 25 Ca -0.01 -0.46 0.22 0.00 -1.77 0.00 0.00 62.75 60.72 3ha2 n ILE 25 Cb 0.34 1.08 0.72 0.00 -1.44 0.00 0.00 39.64 40.35 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 0.75 0.00 -0.30 6.28 5.08 -1.35 -1.41 114.58 123.63 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ha2 h GLU 26 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 3ha2 n ASN 27 N -3.78 3.24 -4.39 1.42 3.02 -1.26 -4.79 115.26 108.71 3ha2 n ASN 27 Ca 0.10 -1.97 -0.45 0.00 -0.03 0.00 0.00 54.58 52.23 3ha2 n ASN 27 Cb 0.71 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 3ha2 n ASN 27 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ha2 s PHE 28 N -1.63 3.14 -0.03 3.10 0.08 -0.53 -4.94 117.98 117.17 3ha2 s PHE 28 Ca 0.36 -0.90 0.31 0.00 0.12 0.00 0.00 56.93 56.82 3ha2 s PHE 28 Cb 0.22 -3.57 1.39 0.00 -0.57 0.00 0.00 43.02 40.49 3ha2 s PHE 28 CO 0.31 -1.01 1.92 0.66 -0.10 0.00 0.00 175.22 177.01 3ha2 h SER 29 N 8.94 0.00 0.40 1.36 4.64 -1.87 -1.25 113.55 125.77 3ha2 h SER 29 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 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 0.98 0.00 -0.14 0.59 -0.87 0.00 0.00 176.83 177.39 3ha2 n ASN 30 N -2.73 0.50 -4.64 4.97 4.13 -1.26 -4.80 115.26 111.44 3ha2 n ASN 30 Ca 0.00 -0.51 -0.37 0.00 1.68 0.00 0.00 54.58 55.38 3ha2 n ASN 30 Cb 0.21 -0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.30 3ha2 n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ha2 s VAL 31 N -2.55 5.34 -0.30 2.41 1.01 -0.47 -1.42 120.40 124.41 3ha2 s VAL 31 Ca 0.26 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 3ha2 s VAL 31 Cb 0.20 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3ha2 s VAL 31 CO 0.50 0.31 0.19 -0.89 0.00 0.00 0.00 175.10 175.21 3ha2 s THR 32 N 1.31 5.13 -0.34 3.92 2.01 0.64 -4.94 115.64 123.37 3ha2 s THR 32 Ca 0.08 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 3ha2 s THR 32 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3ha2 s THR 32 CO 0.07 0.14 0.43 0.86 -0.69 0.00 0.00 174.62 175.43 3ha2 s TRP 33 N 1.72 3.20 -0.43 4.92 -0.00 -1.26 -0.56 118.94 126.52 3ha2 s TRP 33 Ca 0.06 0.10 0.02 0.00 -0.00 0.00 0.00 56.10 56.28 3ha2 s TRP 33 Cb -0.17 -2.78 0.14 0.00 -0.00 0.00 0.00 33.47 30.66 3ha2 s TRP 33 CO 0.10 -0.47 0.24 -1.58 -0.00 0.00 0.00 176.95 175.24 3ha2 s HIS 34 N 2.19 1.87 0.13 5.86 5.65 0.21 -4.99 115.29 126.21 3ha2 s HIS 34 Ca 0.15 -2.36 -0.30 0.00 0.25 0.00 0.00 55.06 52.80 3ha2 s HIS 34 Cb -0.16 -1.79 -0.06 0.00 -1.18 0.00 0.00 32.58 29.38 3ha2 s HIS 34 CO 0.12 -0.78 1.07 -1.25 -0.65 0.00 0.00 174.74 173.25 3ha2 s PRO 35 N 0.39 4.59 0.30 2.88 0.04 -1.26 -1.31 135.00 140.63 3ha2 s PRO 35 Ca 0.18 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 3ha2 s PRO 35 Cb -0.23 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 3ha2 s PRO 35 CO -0.00 0.05 0.99 -0.51 0.04 0.00 0.00 177.00 177.56 3ha2 s LEU 36 N 0.04 4.46 0.18 -3.56 1.43 -0.54 -4.91 118.68 115.77 3ha2 s LEU 36 Ca 0.50 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 3ha2 s LEU 36 Cb -0.27 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 3ha2 s LEU 36 CO 0.32 -0.06 0.29 0.68 0.23 0.00 0.00 176.35 177.81 3ha2 s VAL 37 N -1.39 5.22 0.35 -1.59 -7.23 -1.26 -4.91 120.40 109.60 3ha2 s VAL 37 Ca 0.47 -0.81 0.05 0.00 -1.81 0.00 0.00 61.98 59.88 3ha2 s VAL 37 Cb -0.24 -3.73 0.29 0.00 0.56 0.00 0.00 36.38 33.26 3ha2 s VAL 37 CO 0.30 -0.16 1.96 0.00 -0.31 0.00 0.00 175.10 176.90 3ha2 h ALA 38 N 1.90 1.65 -1.10 1.32 0.00 -1.98 -2.44 119.26 118.62 3ha2 h ALA 38 Ca -0.49 -0.03 -0.75 0.00 0.00 0.00 0.00 54.91 53.64 3ha2 h ALA 38 Cb 1.20 -0.21 -0.29 0.00 0.00 0.00 0.00 17.79 18.49 3ha2 h ALA 38 CO 0.66 0.25 0.87 -0.40 0.00 0.00 0.00 179.25 180.63 3ha2 n ASP 39 N -4.47 7.21 -4.69 0.00 5.75 -1.26 -5.03 116.55 114.06 3ha2 n ASP 39 Ca 0.10 -3.81 -0.33 0.00 -0.01 0.00 0.00 54.79 50.74 3ha2 n ASP 39 Cb 0.19 -1.02 0.13 0.00 -1.03 0.00 0.00 41.12 39.39 3ha2 n ASP 39 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3ha2 s PHE 40 N -4.05 1.76 -0.26 2.11 -0.12 -0.92 -5.00 117.98 111.50 3ha2 s PHE 40 Ca 0.50 1.70 -0.10 0.00 -0.05 0.00 0.00 56.93 58.98 3ha2 s PHE 40 Cb 0.40 -3.46 -0.04 0.00 -0.63 0.00 0.00 43.02 39.29 3ha2 s PHE 40 CO -0.36 -2.85 0.14 1.21 -0.05 0.00 0.00 175.22 173.31 3ha2 s ASN 41 N -2.26 5.73 0.11 1.98 3.84 -1.26 -5.00 114.94 118.09 3ha2 s ASN 41 Ca 0.72 -0.05 -0.21 0.00 0.21 0.00 0.00 52.86 53.53 3ha2 s ASN 41 Cb -0.28 -2.05 -0.09 0.00 -0.55 0.00 0.00 41.25 38.29 3ha2 s ASN 41 CO 0.52 -0.01 1.75 0.58 -2.79 0.00 0.00 177.10 177.15 3ha2 h VAL 42 N 5.34 0.99 -0.82 -5.21 2.07 -1.94 -0.59 116.25 116.09 3ha2 h VAL 42 Ca -0.37 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3ha2 h VAL 42 Cb 1.18 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3ha2 h VAL 42 CO 0.58 0.02 0.53 -0.08 0.02 0.00 0.00 177.57 178.65 3ha2 h GLU 43 N 0.14 1.02 -0.23 1.57 4.81 -1.97 0.12 114.58 120.03 3ha2 h GLU 43 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ha2 h GLU 43 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3ha2 h GLU 43 CO -0.04 0.67 0.12 0.37 -0.73 0.00 0.00 179.01 179.40 3ha2 h GLN 44 N 1.05 0.33 -0.40 1.92 4.15 -1.89 -0.08 115.11 120.18 3ha2 h GLN 44 Ca 0.32 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.73 3ha2 h GLN 44 Cb -0.02 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3ha2 h GLN 44 CO -0.10 0.31 0.20 0.93 -1.93 0.00 0.00 178.83 178.23 3ha2 h GLU 45 N 0.26 0.39 -0.61 1.69 4.39 -0.35 -1.55 114.58 118.80 3ha2 h GLU 45 Ca 0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3ha2 h GLU 45 Cb 0.08 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3ha2 h GLU 45 CO -0.01 0.26 0.30 1.96 -1.16 0.00 0.00 179.01 180.36 3ha2 h GLN 46 N 0.40 0.87 -0.46 2.33 4.20 -0.66 -1.87 115.11 119.92 3ha2 h GLN 46 Ca 0.17 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.82 3ha2 h GLN 46 Cb 0.09 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 3ha2 h GLN 46 CO -0.13 0.69 0.17 1.03 -0.67 0.00 0.00 178.83 179.93 3ha2 h SER 47 N 0.83 0.19 -0.65 1.46 0.87 -0.72 -1.43 113.55 114.11 3ha2 h SER 47 Ca 0.21 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3ha2 h SER 47 Cb 0.10 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3ha2 h SER 47 CO -0.03 0.14 0.22 -0.07 -0.53 0.00 0.00 176.83 176.57 3ha2 h LEU 48 N 0.35 0.95 -0.69 2.23 3.38 -0.99 -2.54 115.31 118.00 3ha2 h LEU 48 Ca 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ha2 h LEU 48 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ha2 h LEU 48 CO -0.21 0.87 0.28 -0.07 0.09 0.00 0.00 178.44 179.40 3ha2 h LEU 49 N 0.99 0.95 -1.71 1.67 3.38 -0.78 -2.50 115.31 117.31 3ha2 h LEU 49 Ca 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ha2 h LEU 49 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ha2 h LEU 49 CO -0.01 0.86 -0.15 -0.07 0.09 0.00 0.00 178.44 179.17 3ha2 h LEU 50 N 0.99 0.00 -0.79 1.67 3.38 -0.94 -2.88 115.31 116.73 3ha2 h LEU 50 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ha2 h LEU 50 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ha2 h LEU 50 CO -0.02 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3ha2 n GLN 51 N -4.36 1.54 -4.23 1.13 6.02 -0.95 -4.91 117.38 111.62 3ha2 n GLN 51 Ca -0.03 -0.79 -0.18 0.00 -0.01 0.00 0.00 57.00 55.99 3ha2 n GLN 51 Cb 0.22 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.91 1.98 -0.21 1.08 0.01 -1.09 -4.86 114.94 109.94 3ha2 s ASN 52 Ca 0.38 -0.77 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 3ha2 s ASN 52 Cb 0.20 -0.07 -0.16 0.00 0.41 0.00 0.00 41.25 41.63 3ha2 s ASN 52 CO 0.32 -0.12 -0.14 0.47 -1.51 0.00 0.00 177.10 176.12 3ha2 n ASP 53 N 0.70 1.98 -4.24 -1.22 8.00 0.52 -4.87 116.55 117.42 3ha2 n ASP 53 Ca -0.17 -0.09 -0.33 0.00 0.71 0.00 0.00 54.79 54.91 3ha2 n ASP 53 Cb 0.56 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.43 3.17 -0.23 -1.24 3.52 -0.66 -1.64 118.95 119.44 3ha2 s ARG 54 Ca -0.25 -0.77 -0.06 0.00 -0.13 0.00 0.00 55.73 54.52 3ha2 s ARG 54 Cb 0.07 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 3ha2 s ARG 54 CO 0.55 -0.02 0.02 0.42 -0.81 0.00 0.00 175.30 175.45 3ha2 s ILE 55 N 0.90 3.92 -0.14 4.11 -1.09 0.34 -0.62 121.20 128.63 3ha2 s ILE 55 Ca -0.04 -0.31 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3ha2 s ILE 55 Cb -0.15 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3ha2 s ILE 55 CO -0.02 0.38 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.32 3ha2 s ILE 56 N 1.48 3.01 -0.32 2.92 1.01 0.43 -0.66 121.20 129.07 3ha2 s ILE 56 Ca 0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3ha2 s ILE 56 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3ha2 s ILE 56 CO 0.01 0.52 0.23 -0.76 0.00 0.00 0.00 174.94 174.93 3ha2 s LEU 57 N 0.51 4.39 -0.21 2.97 1.43 0.00 -0.21 118.68 127.57 3ha2 s LEU 57 Ca -0.09 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3ha2 s LEU 57 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3ha2 s LEU 57 CO 0.04 -0.19 -0.10 -0.70 0.23 0.00 0.00 176.35 175.63 3ha2 s GLU 58 N 1.73 3.17 0.07 1.70 2.12 0.35 -0.98 118.70 126.86 3ha2 s GLU 58 Ca 0.06 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 3ha2 s GLU 58 Cb -0.17 -2.86 0.08 0.00 0.26 0.00 0.00 34.13 31.44 3ha2 s GLU 58 CO 0.11 -0.23 0.68 -0.59 -0.54 0.00 0.00 175.26 174.68 3ha2 s PHE 59 N 1.39 -0.54 0.39 5.30 -0.71 -0.56 -0.77 117.98 122.48 3ha2 s PHE 59 Ca 0.05 0.53 -0.23 0.00 -1.04 0.00 0.00 56.93 56.23 3ha2 s PHE 59 Cb -0.14 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.08 3ha2 s PHE 59 CO -0.07 -0.72 0.96 -1.25 -1.34 0.00 0.00 175.22 172.80 3ha2 s PRO 60 N -2.90 4.35 -0.34 1.99 0.04 -1.26 -1.70 135.00 135.19 3ha2 s PRO 60 Ca -0.02 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 3ha2 s PRO 60 Cb -0.01 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3ha2 s PRO 60 CO -0.06 0.07 1.21 -1.17 0.04 0.00 0.00 177.00 177.09 3ha2 s LEU 61 N -2.68 3.85 -0.28 -3.56 2.96 0.19 -4.17 118.68 114.99 3ha2 s LEU 61 Ca 0.57 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 3ha2 s LEU 61 Cb -0.14 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.04 3ha2 s LEU 61 CO 0.19 -1.05 -0.02 -0.31 -1.32 0.00 0.00 176.35 173.84 3ha2 s TYR 62 N 4.18 3.18 -1.40 5.38 1.51 0.19 -4.64 117.35 125.75 3ha2 s TYR 62 Ca 0.52 -1.71 -0.07 0.00 -1.01 0.00 0.00 57.07 54.79 3ha2 s TYR 62 Cb -0.14 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 3ha2 s TYR 62 CO 0.22 -0.76 0.35 0.91 -1.11 0.00 0.00 175.55 175.16 3ha2 n TRP 63 N 4.65 -1.51 -1.13 2.71 7.02 -1.26 -2.15 117.44 125.78 3ha2 n TRP 63 Ca -0.15 0.57 -0.04 0.00 -1.02 0.00 0.00 57.50 56.86 3ha2 n TRP 63 Cb 0.45 -3.25 -0.02 0.00 -2.42 0.00 0.00 31.31 26.07 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 -4.54 0.00 -4.08 -5.99 4.01 -1.26 -4.95 117.16 100.35 3ha2 n TYR 64 Ca -0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.35 3ha2 n TYR 64 Cb 0.66 -1.38 -0.06 0.00 -0.31 0.00 0.00 39.34 38.26 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 -2.40 0.40 0.63 7.72 1.04 -0.91 -4.94 113.70 115.24 3ha2 s SER 65 Ca 0.00 -1.26 -0.17 0.00 0.48 0.00 0.00 55.95 55.00 3ha2 s SER 65 Cb 0.00 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3ha2 s SER 65 CO 0.00 -1.15 1.16 0.00 0.98 0.00 0.00 173.24 174.23 3ha2 s ALA 66 N -3.63 2.46 0.82 5.32 0.00 -1.26 -0.64 121.76 124.83 3ha2 s ALA 66 Ca 0.29 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 3ha2 s ALA 66 Cb 0.01 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.82 3ha2 s ALA 66 CO 0.15 -1.27 1.16 -2.30 0.00 0.00 0.00 175.76 173.50 3ha2 n PRO 67 N -2.04 0.10 -0.28 0.00 -0.02 -1.26 -4.78 135.00 126.73 3ha2 n PRO 67 Ca 0.12 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 3ha2 n PRO 67 Cb 0.51 -2.40 0.39 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.03 1.88 -0.45 3.55 0.00 -1.96 -1.93 119.26 119.32 3ha2 h ALA 68 Ca -0.46 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.54 3ha2 h ALA 68 Cb 1.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3ha2 h ALA 68 CO 0.45 -0.15 0.13 1.25 0.00 0.00 0.00 179.25 180.93 3ha2 h LEU 69 N 0.65 0.11 -0.63 0.00 5.85 -1.93 0.55 115.31 119.91 3ha2 h LEU 69 Ca 0.47 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 59.14 3ha2 h LEU 69 Cb 0.84 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3ha2 h LEU 69 CO -0.23 0.09 -0.19 0.25 -0.34 0.00 0.00 178.44 178.02 3ha2 h LEU 70 N 0.29 0.88 -0.95 2.25 5.85 -1.67 -2.20 115.31 119.76 3ha2 h LEU 70 Ca 0.21 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3ha2 h LEU 70 Cb 0.23 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3ha2 h LEU 70 CO -0.24 1.05 0.41 0.50 -0.34 0.00 0.00 178.44 179.83 3ha2 h LYS 71 N 0.76 1.16 -0.64 1.25 1.63 -0.96 -2.51 116.57 117.27 3ha2 h LYS 71 Ca 0.11 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.69 3ha2 h LYS 71 Cb 0.73 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 3ha2 h LYS 71 CO 0.06 0.87 0.14 0.37 -3.45 0.00 0.00 179.45 177.44 3ha2 h GLN 72 N 1.15 1.03 -0.53 1.90 5.75 -0.66 -0.82 115.11 122.93 3ha2 h GLN 72 Ca 0.28 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3ha2 h GLN 72 Cb 0.08 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3ha2 h GLN 72 CO -0.04 0.94 0.00 1.87 -2.65 0.00 0.00 178.83 178.95 3ha2 n TRP 73 N -4.29 0.00 0.00 3.99 -0.00 -0.85 -1.57 117.44 114.72 3ha2 n TRP 73 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 3ha2 n TRP 73 Cb 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 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 0.61 0.00 -0.08 5.87 8.00 -0.32 -0.54 116.55 130.11 3ha2 n ASP 75 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3ha2 n ASP 75 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3ha2 n ASP 75 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ha2 n THR 76 N 0.00 1.01 -0.84 -3.53 -2.24 -0.61 -4.74 114.28 103.33 3ha2 n THR 76 Ca 0.00 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 3ha2 n THR 76 Cb 0.00 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.42 3ha2 n THR 76 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ha2 n VAL 77 N -2.66 2.61 0.00 2.28 0.31 0.30 -4.98 118.33 116.19 3ha2 n VAL 77 Ca -0.26 -1.30 0.00 0.00 -0.01 0.00 0.00 64.34 62.77 3ha2 n VAL 77 Cb 0.94 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 1.60 0.00 -0.30 2.52 -2.24 -1.26 -4.85 114.28 109.75 3ha2 n THR 79 Ca 0.25 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.05 3ha2 n THR 79 Cb 0.66 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.14 0.96 -0.89 4.28 2.02 -1.96 -0.54 112.91 117.92 3ha2 h THR 80 Ca 0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3ha2 h THR 80 Cb 0.00 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.40 3ha2 h THR 80 CO 0.00 0.16 0.55 0.50 0.37 0.00 0.00 175.52 177.10 3ha2 h LYS 81 N 0.85 1.20 0.00 6.66 3.64 -1.99 -1.35 116.57 125.58 3ha2 h LYS 81 Ca 0.38 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3ha2 h LYS 81 Cb 0.29 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3ha2 h LYS 81 CO -0.22 0.83 -0.71 0.35 -2.27 0.00 0.00 179.45 177.44 3ha2 h PHE 82 N 1.22 0.00 0.00 1.91 3.57 -1.84 -3.36 116.94 118.44 3ha2 h PHE 82 Ca 0.32 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.63 3ha2 h PHE 82 Cb -0.07 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3ha2 h PHE 82 CO -0.00 1.12 -1.04 0.00 -2.23 0.00 0.00 178.31 176.16 3ha2 h ALA 83 N -0.40 0.55 -3.00 2.41 0.00 -1.18 -1.16 119.26 116.48 3ha2 h ALA 83 Ca -0.18 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3ha2 h ALA 83 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ha2 h ALA 83 CO -0.11 1.10 0.00 0.25 0.00 0.00 0.00 179.25 180.49 3ha2 n THR 84 N -3.20 0.00 0.00 0.00 -2.24 -0.58 -4.21 114.28 104.04 3ha2 n THR 84 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3ha2 n THR 84 Cb 0.89 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.82 3.76 0.74 3.38 0.00 -0.76 -1.39 105.19 112.72 3ha2 n GLY 85 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -0.01 1.61 8.25 -1.26 -4.74 115.22 133.07 3ha2 n HIS 86 Ca 0.00 -1.27 -0.03 0.00 -0.26 0.00 0.00 57.72 56.17 3ha2 n HIS 86 Cb 0.00 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 -0.82 0.06 -4.06 -0.41 7.27 -0.75 -5.04 117.38 113.63 3ha2 n GLN 87 Ca 0.16 0.02 -0.46 0.00 0.07 0.00 0.00 57.00 56.80 3ha2 n GLN 87 Cb 0.77 -0.78 0.02 0.00 2.41 0.00 0.00 30.24 32.66 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 -2.92 -1.43 0.28 3.69 4.01 -0.49 -4.79 117.16 115.52 3ha2 n TYR 88 Ca -0.05 0.11 0.15 0.00 -0.16 0.00 0.00 57.90 57.94 3ha2 n TYR 88 Cb 0.55 -2.80 0.84 0.00 -0.31 0.00 0.00 39.34 37.62 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 1.62 1.31 -0.02 -0.72 0.00 -1.38 -2.25 119.26 117.81 3ha2 h ALA 89 Ca -0.71 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3ha2 h ALA 89 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3ha2 h ALA 89 CO 0.51 0.08 -0.14 1.28 0.00 0.00 0.00 179.25 180.98 3ha2 n LEU 90 N -3.61 2.35 -4.66 0.00 4.77 -1.26 -4.91 117.00 109.67 3ha2 n LEU 90 Ca -0.02 -0.79 -0.48 0.00 -0.03 0.00 0.00 56.01 54.69 3ha2 n LEU 90 Cb 0.17 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3ha2 n LEU 90 CO 0.28 0.40 1.19 1.21 -1.33 0.00 0.00 177.39 179.15 3ha2 n GLU 91 N 0.65 1.95 0.00 3.23 2.13 -0.85 -1.36 120.64 126.39 3ha2 n GLU 91 Ca 0.14 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.66 3ha2 n GLU 91 Cb 0.51 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.75 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 3.45 2.50 3.80 8.31 0.00 -0.15 -5.03 105.19 118.07 3ha2 n GLY 92 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 3.24 -0.02 1.61 1.02 -0.46 -5.05 119.74 119.88 3ha2 s LYS 93 Ca 0.00 1.22 -0.14 0.00 0.02 0.00 0.00 55.97 57.07 3ha2 s LYS 93 Cb 0.00 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 3ha2 s LYS 93 CO 0.00 -0.88 0.38 -1.21 -0.92 0.00 0.00 175.35 172.72 3ha2 s GLU 94 N -4.12 3.90 -0.19 1.68 2.02 -0.65 -4.81 118.70 116.53 3ha2 s GLU 94 Ca 0.64 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.95 3ha2 s GLU 94 Cb -0.16 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3ha2 s GLU 94 CO 0.38 0.67 -0.04 -1.17 0.02 0.00 0.00 175.26 175.12 3ha2 s LEU 95 N -0.98 3.02 0.29 1.80 2.96 -1.26 -0.50 118.68 124.01 3ha2 s LEU 95 Ca 0.23 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 3ha2 s LEU 95 Cb -0.16 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3ha2 s LEU 95 CO 0.12 0.06 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.22 3ha2 s GLY 96 N 1.02 1.90 -0.08 7.98 0.00 0.17 -0.74 107.32 117.57 3ha2 s GLY 96 Ca 0.01 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.85 3ha2 s GLY 96 CO 0.00 -1.95 -0.07 -0.42 0.00 0.00 0.00 173.10 170.67 3ha2 s ILE 97 N -2.50 0.86 -0.39 0.90 -1.09 -1.26 -0.82 121.20 116.90 3ha2 s ILE 97 Ca 0.31 -0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 3ha2 s ILE 97 Cb -0.04 -0.86 0.10 0.00 -1.58 0.00 0.00 42.46 40.09 3ha2 s ILE 97 CO 0.16 0.31 0.16 -0.69 -1.23 0.00 0.00 174.94 173.66 3ha2 s VAL 98 N 1.21 3.09 -0.14 2.92 1.01 -0.15 -0.83 120.40 127.52 3ha2 s VAL 98 Ca -0.05 -2.06 -0.00 0.00 0.00 0.00 0.00 61.98 59.86 3ha2 s VAL 98 Cb -0.14 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3ha2 s VAL 98 CO -0.02 -0.64 -0.12 0.54 0.00 0.00 0.00 175.10 174.86 3ha2 s VAL 99 N 1.11 3.04 -0.06 2.92 0.11 -0.71 -1.50 120.40 125.30 3ha2 s VAL 99 Ca 0.08 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.50 3ha2 s VAL 99 Cb -0.22 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 3ha2 s VAL 99 CO -0.05 0.51 -0.13 -0.94 -3.33 0.00 0.00 175.10 171.17 3ha2 s SER 100 N 0.51 4.16 0.07 3.54 1.04 -0.69 0.04 113.70 122.37 3ha2 s SER 100 Ca -0.09 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.19 3ha2 s SER 100 Cb -0.16 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 3ha2 s SER 100 CO 0.04 0.33 -0.07 0.42 0.98 0.00 0.00 173.24 174.93 3ha2 s THR 101 N -0.61 0.64 -0.21 2.02 -4.23 -0.01 -0.64 115.64 112.61 3ha2 s THR 101 Ca 0.09 -1.51 0.17 0.00 -1.18 0.00 0.00 61.69 59.25 3ha2 s THR 101 Cb -0.11 -1.16 0.09 0.00 1.34 0.00 0.00 72.50 72.66 3ha2 s THR 101 CO 0.01 -0.62 1.41 1.23 -0.54 0.00 0.00 174.62 176.11 3ha2 h GLY 102 N 3.73 0.00 -2.07 3.99 0.00 -1.92 -0.25 103.07 106.56 3ha2 h GLY 102 Ca -0.36 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.46 3ha2 h GLY 102 CO 0.52 0.00 0.44 0.99 0.00 0.00 0.00 176.54 178.49 3ha2 s ASP 103 N -6.32 5.57 0.32 0.19 1.01 -1.26 -3.94 116.67 112.24 3ha2 s ASP 103 Ca 0.04 2.22 -0.29 0.00 0.71 0.00 0.00 52.55 55.23 3ha2 s ASP 103 Cb 0.07 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 3ha2 s ASP 103 CO 0.74 -1.33 1.51 0.21 0.21 0.00 0.00 175.17 176.52 3ha2 s ASN 104 N -1.77 6.43 0.52 0.27 3.84 -1.26 -3.75 114.94 119.22 3ha2 s ASN 104 Ca 0.74 2.93 0.17 0.00 0.21 0.00 0.00 52.86 56.90 3ha2 s ASN 104 Cb -0.25 -2.65 1.28 0.00 -0.55 0.00 0.00 41.25 39.08 3ha2 s ASN 104 CO 0.29 -0.84 2.14 1.23 -2.79 0.00 0.00 177.10 177.13 3ha2 h GLY 105 N 4.10 0.00 2.00 1.21 0.00 -1.95 -1.64 103.07 106.80 3ha2 h GLY 105 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3ha2 h GLY 105 CO 0.73 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.97 3ha2 n ASN 106 N -4.53 0.36 0.22 0.19 3.02 -1.26 -2.04 115.26 111.23 3ha2 n ASN 106 Ca -0.02 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.23 3ha2 n ASN 106 Cb 0.11 -0.68 0.47 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.29 1.03 -1.61 5.41 0.00 -1.67 -3.39 119.26 121.32 3ha2 h ALA 107 Ca 0.00 -0.20 -0.79 0.00 0.00 0.00 0.00 54.91 53.92 3ha2 h ALA 107 Cb 0.25 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 17.77 3ha2 h ALA 107 CO 0.00 0.28 1.23 1.19 0.00 0.00 0.00 179.25 181.95 3ha2 n PHE 108 N -3.41 2.95 -3.59 0.00 3.72 -0.86 -1.28 117.46 114.99 3ha2 n PHE 108 Ca -0.00 -2.82 -0.07 0.00 -0.05 0.00 0.00 57.45 54.51 3ha2 n PHE 108 Cb 0.42 -1.60 -0.02 0.00 -0.94 0.00 0.00 39.48 37.34 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 -1.26 0.97 0.38 -1.08 -2.07 -1.21 -3.79 119.66 111.60 3ha2 s GLN 109 Ca 0.35 -0.43 -0.28 0.00 -1.82 0.00 0.00 55.36 53.18 3ha2 s GLN 109 Cb 0.05 0.40 -0.11 0.00 -1.09 0.00 0.00 33.01 32.26 3ha2 s GLN 109 CO 0.05 -0.43 1.40 0.00 -1.32 0.00 0.00 175.29 174.98 3ha2 n ALA 110 N -0.33 1.91 -0.18 2.60 0.00 -1.17 -1.97 120.51 121.38 3ha2 n ALA 110 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3ha2 n ALA 110 Cb 0.62 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 0.59 2.62 3.97 0.00 0.00 -1.26 -4.97 105.19 106.15 3ha2 n GLY 111 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3ha2 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha2 s ALA 112 N -3.17 4.55 0.29 4.61 0.00 -0.83 -5.00 121.76 122.22 3ha2 s ALA 112 Ca 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.21 3ha2 s ALA 112 Cb 0.00 -1.18 0.66 0.00 0.00 0.00 0.00 23.12 22.60 3ha2 s ALA 112 CO 0.00 -0.62 1.79 0.00 0.00 0.00 0.00 175.76 176.92 3ha2 h ALA 113 N 0.48 1.56 -0.01 0.00 0.00 -1.83 -1.85 119.26 117.61 3ha2 h ALA 113 Ca -0.34 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ha2 h ALA 113 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ha2 h ALA 113 CO 0.48 0.01 -0.33 0.39 0.00 0.00 0.00 179.25 179.80 3ha2 n GLU 114 N -4.75 0.94 0.00 0.00 -0.58 -0.41 -4.96 120.64 110.87 3ha2 n GLU 114 Ca 0.21 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 3ha2 n GLU 114 Cb 0.50 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.48 0.00 -4.80 3.49 5.02 -0.70 -4.84 118.16 115.86 3ha2 n LYS 115 Ca 0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.15 3ha2 n LYS 115 Cb 0.38 -2.19 -0.15 0.00 -0.02 0.00 0.00 35.03 33.05 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 -0.13 1.66 0.66 2.13 0.08 -1.25 -3.02 117.98 118.10 3ha2 s PHE 116 Ca 0.00 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 3ha2 s PHE 116 Cb 0.00 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3ha2 s PHE 116 CO 0.00 0.00 1.04 0.95 -0.10 0.00 0.00 175.22 177.12 3ha2 s THR 117 N -0.54 4.39 0.26 0.64 -4.23 -1.25 -3.30 115.64 111.61 3ha2 s THR 117 Ca 0.07 0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 61.33 3ha2 s THR 117 Cb -0.08 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.36 3ha2 s THR 117 CO -0.00 -1.01 1.84 0.40 -0.54 0.00 0.00 174.62 175.31 3ha2 h ILE 118 N -0.50 0.97 -0.57 2.99 1.08 -1.96 -1.75 117.51 117.77 3ha2 h ILE 118 Ca -0.44 -0.33 0.11 0.00 -0.39 0.00 0.00 64.86 63.81 3ha2 h ILE 118 Cb 1.20 -0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 34.76 3ha2 h ILE 118 CO 0.60 0.18 -0.15 0.28 -0.69 0.00 0.00 178.15 178.37 3ha2 h SER 119 N 0.97 -0.54 -0.66 1.72 0.02 -1.95 -2.15 113.55 110.95 3ha2 h SER 119 Ca 0.43 0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.48 3ha2 h SER 119 Cb 0.33 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3ha2 h SER 119 CO -0.22 -0.19 0.13 -0.33 -1.14 0.00 0.00 176.83 175.07 3ha2 h GLU 120 N -0.00 1.07 -1.94 3.45 5.08 -1.78 -3.04 114.58 117.43 3ha2 h GLU 120 Ca 0.28 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ha2 h GLU 120 Cb 0.42 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ha2 h GLU 120 CO -0.59 0.98 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 3ha2 n LEU 121 N -4.26 2.70 0.00 1.33 4.77 -0.71 -4.78 117.00 116.05 3ha2 n LEU 121 Ca 0.04 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3ha2 n LEU 121 Cb 0.27 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3ha2 n LEU 121 CO 0.42 0.51 0.00 -1.14 -1.33 0.00 0.00 177.39 175.85 3ha2 n ARG 123 N 1.61 0.00 -0.15 3.23 3.00 -1.15 -4.92 116.66 118.29 3ha2 n ARG 123 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3ha2 n ARG 123 Cb 0.27 0.00 0.44 0.00 0.00 0.00 0.00 32.46 33.17 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 0.53 -0.18 -0.14 0.11 -1.92 0.11 132.00 130.51 3ha2 h PRO 124 Ca 0.00 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 3ha2 h PRO 124 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3ha2 h PRO 124 CO 0.00 0.35 -0.63 0.74 -0.21 0.00 0.00 178.00 178.26 3ha2 h PHE 125 N 0.55 0.83 -0.39 0.65 0.04 -1.98 -1.19 116.94 115.45 3ha2 h PHE 125 Ca 0.32 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ha2 h PHE 125 Cb 0.52 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3ha2 h PHE 125 CO -0.00 1.10 0.14 1.49 -0.60 0.00 0.00 178.31 180.44 3ha2 h GLU 126 N 0.48 0.59 -0.84 1.51 4.81 -1.73 -0.66 114.58 118.75 3ha2 h GLU 126 Ca -0.01 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3ha2 h GLU 126 Cb 1.21 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3ha2 h GLU 126 CO 0.12 0.57 0.55 0.00 -0.73 0.00 0.00 179.01 179.52 3ha2 h ALA 127 N 0.99 1.08 -0.05 2.92 0.00 -0.75 -0.89 119.26 122.56 3ha2 h ALA 127 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ha2 h ALA 127 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ha2 h ALA 127 CO -0.01 0.43 0.03 0.35 0.00 0.00 0.00 179.25 180.05 3ha2 h PHE 128 N 1.10 0.05 -0.90 0.00 3.57 -0.91 -1.00 116.94 118.85 3ha2 h PHE 128 Ca 0.32 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.87 3ha2 h PHE 128 Cb -0.08 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3ha2 h PHE 128 CO -0.02 0.03 0.57 0.00 -2.23 0.00 0.00 178.31 176.66 3ha2 h ALA 129 N 1.02 1.22 -0.41 2.41 0.00 -0.76 -0.79 119.26 121.95 3ha2 h ALA 129 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ha2 h ALA 129 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ha2 h ALA 129 CO -0.01 0.36 0.12 -0.91 0.00 0.00 0.00 179.25 178.80 3ha2 h ASN 130 N 1.05 0.61 -0.70 0.00 -0.26 -0.94 -0.99 115.58 114.35 3ha2 h ASN 130 Ca 0.38 -0.21 -0.05 0.00 -0.56 0.00 0.00 56.30 55.86 3ha2 h ASN 130 Cb 0.12 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 3ha2 h ASN 130 CO -0.16 0.66 0.26 0.50 -1.06 0.00 0.00 177.43 177.64 3ha2 h LYS 131 N 0.52 1.08 -0.27 0.81 1.63 -0.68 -2.68 116.57 116.97 3ha2 h LYS 131 Ca 0.13 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3ha2 h LYS 131 Cb 0.28 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3ha2 h LYS 131 CO -0.00 0.89 0.00 0.25 -3.45 0.00 0.00 179.45 177.14 3ha2 n THR 132 N -4.28 0.35 -2.48 1.00 -2.24 -0.35 -4.96 114.28 101.32 3ha2 n THR 132 Ca 0.06 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 3ha2 n THR 132 Cb 0.20 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.03 -2.00 -3.45 -0.78 5.02 -0.39 -3.41 118.16 114.19 3ha2 n LYS 133 Ca 0.18 1.84 0.01 0.00 -2.02 0.00 0.00 58.31 58.32 3ha2 n LYS 133 Cb 0.50 -4.54 -0.04 0.00 -0.02 0.00 0.00 35.03 30.93 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 -1.96 -0.75 0.60 2.13 5.04 -1.26 -0.97 117.35 120.18 3ha2 s TYR 136 Ca 0.14 1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 55.98 3ha2 s TYR 136 Cb -0.04 0.45 -0.04 0.00 0.35 0.00 0.00 41.96 42.68 3ha2 s TYR 136 CO 0.58 -0.37 1.00 -0.51 -1.34 0.00 0.00 175.55 174.91 3ha2 s LEU 137 N 2.42 3.27 0.61 6.97 1.43 0.08 -4.95 118.68 128.51 3ha2 s LEU 137 Ca -0.03 1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 54.22 3ha2 s LEU 137 Cb -0.07 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.75 3ha2 s LEU 137 CO -0.18 -0.84 1.31 -2.65 0.23 0.00 0.00 176.35 174.23 3ha2 n PRO 138 N -2.69 1.34 -2.77 1.29 -0.02 -1.26 -4.83 135.00 126.05 3ha2 n PRO 138 Ca 0.05 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3ha2 n PRO 138 Cb 0.54 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.35 4.53 -0.59 4.25 1.01 -1.26 -4.66 121.20 123.14 3ha2 s ILE 139 Ca 0.78 2.00 -0.20 0.00 0.00 0.00 0.00 60.65 63.23 3ha2 s ILE 139 Cb -0.40 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 37.87 3ha2 s ILE 139 CO 0.44 0.33 0.77 -0.22 0.00 0.00 0.00 174.94 176.26 3ha2 s LEU 140 N -0.03 4.95 -0.17 2.97 2.96 -0.01 -5.01 118.68 124.34 3ha2 s LEU 140 Ca 0.45 -1.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.07 3ha2 s LEU 140 Cb -0.23 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3ha2 s LEU 140 CO 0.29 -1.16 0.41 0.00 -1.32 0.00 0.00 176.35 174.56 3ha2 s ALA 141 N 3.12 3.54 -0.42 5.97 0.00 -1.26 -1.73 121.76 130.98 3ha2 s ALA 141 Ca 0.16 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 3ha2 s ALA 141 Cb -0.20 -2.60 0.09 0.00 0.00 0.00 0.00 23.12 20.41 3ha2 s ALA 141 CO 0.09 -0.14 0.24 0.08 0.00 0.00 0.00 175.76 176.03 3ha2 s VAL 142 N 0.95 3.86 -0.19 0.00 1.01 0.11 -4.96 120.40 121.18 3ha2 s VAL 142 Ca 0.21 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.47 3ha2 s VAL 142 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3ha2 s VAL 142 CO 0.08 -0.57 0.06 -1.00 0.00 0.00 0.00 175.10 173.66 3ha2 s HIS 143 N 1.32 3.20 -1.59 5.22 3.76 -1.26 -0.83 115.29 125.10 3ha2 s HIS 143 Ca 0.04 -0.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.74 3ha2 s HIS 143 Cb -0.23 -2.10 0.12 0.00 1.11 0.00 0.00 32.58 31.47 3ha2 s HIS 143 CO -0.00 0.03 0.88 0.00 -0.85 0.00 0.00 174.74 174.80 3ha2 n GLN 144 N 3.83 -4.45 -0.20 1.40 10.64 -0.10 -4.89 117.38 123.61 3ha2 n GLN 144 Ca -0.16 0.50 -0.00 0.00 -1.83 0.00 0.00 57.00 55.51 3ha2 n GLN 144 Cb 0.52 -5.32 0.08 0.00 -0.86 0.00 0.00 30.24 24.65 3ha2 n GLN 144 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 3ha2 h PHE 145 N -1.78 -0.20 0.00 2.61 3.57 -1.82 -0.68 116.94 118.65 3ha2 h PHE 145 Ca -0.57 0.05 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3ha2 h PHE 145 Cb 1.37 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.30 3ha2 h PHE 145 CO 0.60 -0.22 0.00 -0.07 -2.23 0.00 0.00 178.31 176.39 3ha2 h LEU 146 N 0.05 0.00 0.00 0.59 3.38 -1.95 -2.11 115.31 115.27 3ha2 h LEU 146 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ha2 h LEU 146 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ha2 h LEU 146 CO -0.58 0.00 -0.51 -1.22 0.09 0.00 0.00 178.44 176.22 3ha2 n TYR 147 N -2.70 0.40 -2.05 1.13 4.01 -0.28 -4.96 117.16 112.71 3ha2 n TYR 147 Ca 0.01 0.12 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 3ha2 n TYR 147 Cb 0.26 -0.56 0.01 0.00 -0.31 0.00 0.00 39.34 38.73 3ha2 n TYR 147 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ha2 s LEU 148 N -3.85 3.48 0.70 7.72 1.43 -0.80 -5.04 118.68 122.32 3ha2 s LEU 148 Ca 0.08 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 3ha2 s LEU 148 Cb 0.15 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.86 3ha2 s LEU 148 CO 0.69 -1.11 1.09 -1.61 0.23 0.00 0.00 176.35 175.65 3ha2 s GLU 149 N -4.16 2.67 0.25 1.70 2.02 -1.26 -4.78 118.70 115.14 3ha2 s GLU 149 Ca 0.62 1.24 -0.05 0.00 0.02 0.00 0.00 54.97 56.80 3ha2 s GLU 149 Cb -0.15 -1.94 0.48 0.00 0.10 0.00 0.00 34.13 32.62 3ha2 s GLU 149 CO 0.38 -1.33 1.64 -1.35 0.02 0.00 0.00 175.26 174.62 3ha2 h PRO 150 N -0.44 0.14 -0.17 0.39 0.11 -1.98 -0.57 132.00 129.47 3ha2 h PRO 150 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3ha2 h PRO 150 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3ha2 h PRO 150 CO 0.54 0.09 -0.35 0.38 -0.21 0.00 0.00 178.00 178.44 3ha2 h ASP 151 N 0.14 0.38 -0.32 -2.05 3.04 -1.99 -0.48 116.42 115.15 3ha2 h ASP 151 Ca 0.43 -0.15 -0.11 0.00 -3.24 0.00 0.00 57.03 53.96 3ha2 h ASP 151 Cb 0.78 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.96 3ha2 h ASP 151 CO -0.64 0.71 -0.25 0.00 -2.04 0.00 0.00 179.24 177.02 3ha2 h ALA 152 N 1.31 0.46 -0.58 4.15 0.00 -1.73 -2.61 119.26 120.25 3ha2 h ALA 152 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ha2 h ALA 152 Cb 0.77 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3ha2 h ALA 152 CO 0.06 0.44 0.35 1.96 0.00 0.00 0.00 179.25 182.06 3ha2 h GLN 153 N 0.49 0.66 -0.75 0.00 4.20 -0.84 -2.75 115.11 116.12 3ha2 h GLN 153 Ca 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3ha2 h GLN 153 Cb 0.81 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 3ha2 h GLN 153 CO 0.07 0.44 0.39 1.96 -0.67 0.00 0.00 178.83 181.02 3ha2 h GLN 154 N 0.68 1.04 -0.22 1.46 1.08 -1.05 -1.70 115.11 116.41 3ha2 h GLN 154 Ca 0.24 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 3ha2 h GLN 154 Cb 0.04 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3ha2 h GLN 154 CO -0.11 0.78 -0.21 0.00 -0.95 0.00 0.00 178.83 178.34 3ha2 h ARG 155 N 1.05 0.40 -0.03 1.46 3.08 -1.19 -0.80 114.38 118.35 3ha2 h ARG 155 Ca 0.26 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 3ha2 h ARG 155 Cb 0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ha2 h ARG 155 CO -0.04 0.59 -0.84 1.25 -1.07 0.00 0.00 179.97 179.86 3ha2 h LEU 156 N 0.36 0.48 -0.64 3.04 5.85 -1.28 -2.32 115.31 120.79 3ha2 h LEU 156 Ca 0.06 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 3ha2 h LEU 156 Cb 0.58 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3ha2 h LEU 156 CO 0.04 1.13 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.09 3ha2 h LEU 157 N 0.24 0.94 -0.80 2.25 3.38 -0.96 -0.56 115.31 119.80 3ha2 h LEU 157 Ca -0.05 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3ha2 h LEU 157 Cb 1.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3ha2 h LEU 157 CO 0.14 1.06 -0.02 0.58 0.09 0.00 0.00 178.44 180.30 3ha2 h VAL 158 N 0.85 1.25 -0.62 1.22 2.07 -1.15 -0.94 116.25 118.93 3ha2 h VAL 158 Ca 0.13 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 3ha2 h VAL 158 Cb 0.65 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3ha2 h VAL 158 CO 0.05 0.39 0.22 0.00 0.02 0.00 0.00 177.57 178.24 3ha2 h ALA 159 N 1.15 0.81 -0.41 1.67 0.00 -1.11 -2.16 119.26 119.21 3ha2 h ALA 159 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ha2 h ALA 159 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ha2 h ALA 159 CO 0.03 0.46 0.19 -0.92 0.00 0.00 0.00 179.25 179.00 3ha2 h TYR 160 N 0.88 0.60 -0.57 0.00 3.20 -0.89 0.96 116.97 121.14 3ha2 h TYR 160 Ca 0.20 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3ha2 h TYR 160 Cb 0.25 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 3ha2 h TYR 160 CO 0.02 0.50 0.25 1.96 -1.64 0.00 0.00 178.16 179.25 3ha2 h GLN 161 N 0.52 0.46 -0.53 1.82 4.20 -1.00 -1.46 115.11 119.13 3ha2 h GLN 161 Ca 0.14 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3ha2 h GLN 161 Cb 0.13 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3ha2 h GLN 161 CO -0.02 0.30 -0.02 1.96 -0.67 0.00 0.00 178.83 180.39 3ha2 h GLN 162 N 0.47 0.92 -0.81 1.46 1.08 -1.10 -1.76 115.11 115.38 3ha2 h GLN 162 Ca 0.27 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 3ha2 h GLN 162 Cb 0.26 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 3ha2 h GLN 162 CO -0.24 0.92 0.53 -0.92 -0.95 0.00 0.00 178.83 178.18 3ha2 h TYR 163 N 0.84 0.94 0.00 2.96 3.20 0.06 0.03 116.97 125.00 3ha2 h TYR 163 Ca 0.15 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 3ha2 h TYR 163 Cb 0.53 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3ha2 h TYR 163 CO 0.03 0.52 -1.00 0.00 -1.64 0.00 0.00 178.16 176.07 3ha2 h ALA 164 N 1.54 0.51 0.00 1.82 0.00 -0.91 -3.41 119.26 118.80 3ha2 h ALA 164 Ca 0.33 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ha2 h ALA 164 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ha2 h ALA 164 CO -0.11 1.12 -0.93 0.25 0.00 0.00 0.00 179.25 179.59 3ha2 n THR 165 N -3.25 0.00 -2.34 0.00 -2.24 -0.69 -4.72 114.28 101.04 3ha2 n THR 165 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3ha2 n THR 165 Cb 0.90 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3ha2 n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ha2 s ASN 166 N -2.45 6.90 -0.23 3.42 2.47 -0.02 -4.97 114.94 120.07 3ha2 s ASN 166 Ca 0.00 1.83 -0.29 0.00 0.42 0.00 0.00 52.86 54.83 3ha2 s ASN 166 Cb 0.00 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 3ha2 s ASN 166 CO 0.00 -0.77 1.02 -0.69 -3.72 0.00 0.00 177.10 172.94 3ha2 s VAL 167 N 3.36 4.70 0.00 -5.21 1.01 -1.26 -4.94 120.40 118.06 3ha2 s VAL 167 Ca 0.59 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.56 3ha2 s VAL 167 Cb -0.25 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3ha2 s VAL 167 CO 0.19 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.74