#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hva n GLY 6 N 0.00 0.73 0.65 -1.67 0.00 -0.70 -5.03 105.19 99.17 1hva n GLY 6 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.36 1hva n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hva n TYR 7 N 0.00 0.62 -1.49 1.61 4.01 -1.26 -3.82 117.16 116.83 1hva n TYR 7 Ca 0.00 -0.75 -0.27 0.00 -0.16 0.00 0.00 57.90 56.73 1hva n TYR 7 Cb 0.00 -0.19 0.20 0.00 -0.31 0.00 0.00 39.34 39.05 1hva n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hva n GLY 8 N -0.30 -2.01 0.20 2.72 0.00 -1.26 -4.54 105.19 100.00 1hva n GLY 8 Ca 0.16 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.63 1hva n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hva h LYS 9 N 0.00 0.00 0.00 1.61 1.63 -1.97 -1.07 116.57 116.77 1hva h LYS 9 Ca -0.38 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.10 1hva h LYS 9 Cb 1.10 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.67 1hva h LYS 9 CO 0.26 0.35 -2.31 0.72 -3.45 0.00 0.00 179.45 175.02 1hva n HIS 10 N -3.54 0.04 -0.76 1.91 8.25 -1.26 -4.47 115.22 115.39 1hva n HIS 10 Ca -0.00 0.02 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1hva n HIS 10 Cb 0.48 -0.94 0.13 0.00 1.12 0.00 0.00 29.99 30.78 1hva n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1hva n ASN 11 N -2.70 2.60 -2.60 0.41 6.94 -1.25 -4.91 115.26 113.76 1hva n ASN 11 Ca -0.29 -2.76 -0.09 0.00 -0.02 0.00 0.00 54.58 51.42 1hva n ASN 11 Cb 1.08 -0.34 0.06 0.00 -2.36 0.00 0.00 39.78 38.22 1hva n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hva n GLY 12 N -0.93 -1.35 0.59 4.83 0.00 -0.40 -1.72 105.19 106.21 1hva n GLY 12 Ca 0.13 -1.66 0.44 0.00 0.00 0.00 0.00 46.02 44.93 1hva n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hva h PRO 13 N 0.00 0.04 -0.00 1.61 0.11 -1.82 -1.30 132.00 130.64 1hva h PRO 13 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1hva h PRO 13 Cb 0.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1hva h PRO 13 CO 0.09 0.02 -0.03 0.39 -0.21 0.00 0.00 178.00 178.27 1hva n GLU 14 N -4.24 0.53 -0.00 1.05 4.71 -1.26 -1.46 120.64 119.96 1hva n GLU 14 Ca 0.38 -0.05 0.03 0.00 -0.01 0.00 0.00 57.16 57.50 1hva n GLU 14 Cb 1.64 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 30.60 1hva n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1hva n HIS 15 N -1.19 0.01 0.18 -0.32 8.25 -0.49 -4.68 115.22 116.96 1hva n HIS 15 Ca 0.15 -0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.62 1hva n HIS 15 Cb 0.24 -0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.66 1hva n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1hva h TRP 16 N 1.07 0.00 -0.07 4.41 6.55 -1.28 -2.91 115.95 123.73 1hva h TRP 16 Ca 0.00 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.86 1hva h TRP 16 Cb 0.24 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.54 1hva h TRP 16 CO 0.00 0.44 0.10 1.12 -1.05 0.00 0.00 178.44 179.06 1hva h HIS 17 N 0.00 0.00 -0.16 0.49 2.07 -1.79 -0.66 115.15 115.11 1hva h HIS 17 Ca -0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 1hva h HIS 17 Cb 0.85 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.83 1hva h HIS 17 CO 0.00 0.00 -0.57 0.87 -3.07 0.00 0.00 177.93 175.16 1hva h LYS 18 N 0.00 0.50 0.00 5.12 6.56 -1.87 -3.21 116.57 123.67 1hva h LYS 18 Ca 0.03 -0.32 -0.04 0.00 -1.06 0.00 0.00 60.65 59.26 1hva h LYS 18 Cb 0.24 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1hva h LYS 18 CO -0.00 0.93 -1.91 -0.25 -2.06 0.00 0.00 179.45 176.16 1hva n ASP 19 N -3.94 0.66 -3.59 0.86 8.00 -0.41 -4.65 116.55 113.47 1hva n ASP 19 Ca -0.03 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.18 1hva n ASP 19 Cb 0.61 1.76 -0.12 0.00 -0.02 0.00 0.00 41.12 43.35 1hva n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1hva s PHE 20 N -3.21 1.56 0.55 1.24 0.08 -0.39 -4.99 117.98 112.82 1hva s PHE 20 Ca -0.07 -2.24 0.24 0.00 0.12 0.00 0.00 56.93 54.99 1hva s PHE 20 Cb 0.11 -1.48 1.48 0.00 -0.57 0.00 0.00 43.02 42.56 1hva s PHE 20 CO 0.78 -0.79 2.08 -1.35 -0.10 0.00 0.00 175.22 175.85 1hva h PRO 21 N 6.52 0.00 0.00 0.24 0.11 -1.80 -1.78 132.00 135.29 1hva h PRO 21 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1hva h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1hva h PRO 21 CO 0.41 0.00 0.19 0.97 -0.21 0.00 0.00 178.00 179.37 1hva h ILE 22 N 0.00 0.00 -0.06 4.15 6.09 -1.88 -1.87 117.51 123.93 1hva h ILE 22 Ca 0.12 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.63 1hva h ILE 22 Cb 0.53 0.60 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1hva h ILE 22 CO -0.00 0.00 0.14 0.00 -3.07 0.00 0.00 178.15 175.22 1hva h ALA 23 N 1.57 1.40 -0.44 0.18 0.00 -1.62 1.54 119.26 121.89 1hva h ALA 23 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hva h ALA 23 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hva h ALA 23 CO 0.00 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.71 1hva n LYS 24 N -3.37 3.51 -0.71 0.00 4.76 -0.70 -4.98 118.16 116.68 1hva n LYS 24 Ca -0.01 -2.22 -0.29 0.00 -2.87 0.00 0.00 58.31 52.92 1hva n LYS 24 Cb 0.23 -1.93 0.25 0.00 -1.84 0.00 0.00 35.03 31.74 1hva n LYS 24 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1hva s GLY 25 N -0.65 1.51 0.45 0.72 0.00 0.53 -4.98 107.32 104.89 1hva s GLY 25 Ca 0.39 -0.61 0.25 0.00 0.00 0.00 0.00 44.72 44.76 1hva s GLY 25 CO 0.14 0.24 1.73 0.83 0.00 0.00 0.00 173.10 176.04 1hva h GLU 26 N -2.79 0.00 -1.57 2.90 4.39 -1.95 -3.40 114.58 112.15 1hva h GLU 26 Ca -0.51 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 58.76 1hva h GLU 26 Cb 1.33 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.68 1hva h GLU 26 CO 0.41 0.09 -0.84 2.89 -1.16 0.00 0.00 179.01 180.39 1hva n ARG 27 N -3.15 0.52 -3.84 2.33 1.85 -1.26 -4.78 116.66 108.33 1hva n ARG 27 Ca 0.02 -2.72 -0.27 0.00 -1.00 0.00 0.00 57.85 53.88 1hva n ARG 27 Cb 0.48 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.40 1hva n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1hva s GLN 28 N -0.08 3.47 0.13 2.89 -1.52 -1.26 -1.91 119.66 121.39 1hva s GLN 28 Ca 0.33 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 53.32 1hva s GLN 28 Cb 0.11 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 1hva s GLN 28 CO -0.15 0.48 -0.13 -1.12 -0.25 0.00 0.00 175.29 174.11 1hva s SER 29 N -3.15 1.96 1.15 5.90 0.01 -1.26 -4.60 113.70 113.71 1hva s SER 29 Ca 0.36 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 1hva s SER 29 Cb -0.11 -0.06 0.26 0.00 0.21 0.00 0.00 66.02 66.32 1hva s SER 29 CO 0.29 -0.19 1.06 -2.16 0.41 0.00 0.00 173.24 172.65 1hva s PRO 30 N -2.93 -0.81 0.34 12.44 0.04 -1.26 -4.56 135.00 138.26 1hva s PRO 30 Ca 0.11 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.56 1hva s PRO 30 Cb -0.03 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 1hva s PRO 30 CO 0.03 -3.53 0.06 0.14 0.04 0.00 0.00 177.00 173.74 1hva s VAL 31 N -2.77 1.14 -0.08 -0.36 -7.23 -1.26 -0.61 120.40 109.23 1hva s VAL 31 Ca 0.68 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 1hva s VAL 31 Cb -0.17 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1hva s VAL 31 CO 0.59 0.00 0.29 -0.62 -0.31 0.00 0.00 175.10 175.05 1hva s ASP 32 N -3.52 6.57 -0.42 4.85 2.15 -1.26 -2.89 116.67 122.15 1hva s ASP 32 Ca 0.34 0.67 -0.18 0.00 0.43 0.00 0.00 52.55 53.82 1hva s ASP 32 Cb 0.08 -2.17 0.02 0.00 -0.30 0.00 0.00 42.92 40.55 1hva s ASP 32 CO 0.15 0.29 0.49 -0.63 -0.17 0.00 0.00 175.17 175.31 1hva s ILE 33 N -0.65 5.02 -0.23 4.11 1.01 0.05 -4.90 121.20 125.61 1hva s ILE 33 Ca 0.19 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 1hva s ILE 33 Cb -0.14 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1hva s ILE 33 CO 0.08 -0.43 0.54 -0.62 0.00 0.00 0.00 174.94 174.50 1hva s ASP 34 N 1.85 6.53 0.37 3.58 2.15 -1.26 -0.23 116.67 129.66 1hva s ASP 34 Ca 0.15 0.64 0.26 0.00 0.43 0.00 0.00 52.55 54.03 1hva s ASP 34 Cb -0.16 -2.30 0.74 0.00 -0.30 0.00 0.00 42.92 40.90 1hva s ASP 34 CO 0.15 -0.25 1.74 0.71 -0.17 0.00 0.00 175.17 177.35 1hva h THR 35 N 5.26 0.00 -2.78 1.71 1.35 -1.96 -2.64 112.91 113.85 1hva h THR 35 Ca -0.31 -0.66 -0.80 0.00 -0.55 0.00 0.00 66.41 64.09 1hva h THR 35 Cb 1.14 1.63 -0.28 0.00 -1.73 0.00 0.00 68.15 68.91 1hva h THR 35 CO 0.74 0.00 0.77 1.41 -0.25 0.00 0.00 175.52 178.19 1hva n HIS 36 N -2.74 2.36 0.00 4.73 8.25 -1.26 -3.38 115.22 123.19 1hva n HIS 36 Ca 0.04 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 1hva n HIS 36 Cb 0.42 -1.21 0.00 0.00 1.12 0.00 0.00 29.99 30.32 1hva n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hva n THR 37 N 1.06 0.00 -2.19 1.59 -2.24 -1.23 -5.16 114.28 106.11 1hva n THR 37 Ca 0.29 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.75 1hva n THR 37 Cb 0.32 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1hva n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hva s ALA 38 N 0.00 2.87 -0.35 6.98 0.00 -1.00 -4.83 121.76 125.43 1hva s ALA 38 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1hva s ALA 38 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1hva s ALA 38 CO 0.00 -0.58 0.22 0.21 0.00 0.00 0.00 175.76 175.61 1hva s LYS 39 N -4.06 3.17 -0.08 0.00 2.47 0.81 -4.88 119.74 117.18 1hva s LYS 39 Ca 0.62 -0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 53.88 1hva s LYS 39 Cb -0.14 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1hva s LYS 39 CO 0.34 -0.56 1.50 -0.47 0.16 0.00 0.00 175.35 176.32 1hva s TYR 40 N 1.64 2.37 -0.35 4.03 5.04 -1.26 0.57 117.35 129.39 1hva s TYR 40 Ca 0.04 0.53 -0.03 0.00 -2.44 0.00 0.00 57.07 55.17 1hva s TYR 40 Cb -0.18 -3.75 0.07 0.00 0.35 0.00 0.00 41.96 38.45 1hva s TYR 40 CO 0.08 -2.99 0.10 0.34 -1.34 0.00 0.00 175.55 171.74 1hva s ASP 41 N 2.71 5.12 0.00 4.32 -1.08 -0.47 -4.84 116.67 122.43 1hva s ASP 41 Ca 0.66 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.17 1hva s ASP 41 Cb -0.29 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1hva s ASP 41 CO 0.24 -0.38 0.11 -0.81 0.52 0.00 0.00 175.17 174.86 1hva n PRO 42 N 4.65 0.09 0.00 4.34 -0.04 -1.26 -3.27 135.00 139.51 1hva n PRO 42 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1hva n PRO 42 Cb 0.43 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1hva n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1hva n SER 43 N 1.22 0.00 -4.69 3.54 7.64 -1.26 -5.02 113.62 115.05 1hva n SER 43 Ca 0.00 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.46 1hva n SER 43 Cb 0.04 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1hva n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hva s LEU 44 N 0.00 4.29 1.06 -3.43 1.02 -1.20 -4.99 118.68 115.42 1hva s LEU 44 Ca 0.00 1.79 -0.12 0.00 0.02 0.00 0.00 54.13 55.82 1hva s LEU 44 Cb 0.00 -3.56 0.22 0.00 0.02 0.00 0.00 46.19 42.87 1hva s LEU 44 CO 0.00 -0.53 1.07 -0.54 0.02 0.00 0.00 176.35 176.37 1hva s LYS 45 N 1.98 -0.04 1.14 1.70 1.02 -1.18 -4.96 119.74 119.41 1hva s LYS 45 Ca 0.55 0.65 -0.19 0.00 0.02 0.00 0.00 55.97 56.99 1hva s LYS 45 Cb -0.24 -1.67 0.28 0.00 -0.52 0.00 0.00 37.83 35.68 1hva s LYS 45 CO 0.23 -3.08 1.09 -2.30 -0.92 0.00 0.00 175.35 170.36 1hva n PRO 46 N -4.44 -2.77 -3.31 -1.68 -0.02 -1.26 -3.56 135.00 117.97 1hva n PRO 46 Ca 0.04 -1.73 -0.38 0.00 -2.02 0.00 0.00 63.50 59.42 1hva n PRO 46 Cb 0.56 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 1hva n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hva s LEU 47 N 0.00 4.26 -0.44 2.45 1.43 -1.26 0.46 118.68 125.59 1hva s LEU 47 Ca 0.69 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 1hva s LEU 47 Cb -0.06 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.58 1hva s LEU 47 CO 0.52 -0.02 0.18 -0.55 0.23 0.00 0.00 176.35 176.71 1hva s SER 48 N 0.68 4.71 -0.30 2.29 0.15 0.99 -4.98 113.70 117.24 1hva s SER 48 Ca 0.26 -2.52 -0.11 0.00 0.70 0.00 0.00 55.95 54.28 1hva s SER 48 Cb -0.15 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 1hva s SER 48 CO 0.10 -0.35 0.18 -0.69 1.20 0.00 0.00 173.24 173.69 1hva s VAL 49 N 0.41 5.03 -0.45 4.45 1.01 -1.26 0.42 120.40 130.01 1hva s VAL 49 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1hva s VAL 49 Cb -0.22 -3.47 0.12 0.00 0.00 0.00 0.00 36.38 32.81 1hva s VAL 49 CO -0.04 0.16 0.20 -0.44 0.00 0.00 0.00 175.10 174.97 1hva s SER 50 N 1.70 4.32 -0.12 3.32 0.01 -0.21 -4.93 113.70 117.78 1hva s SER 50 Ca 0.06 -2.69 0.18 0.00 1.31 0.00 0.00 55.95 54.82 1hva s SER 50 Cb -0.16 -1.52 0.75 0.00 0.21 0.00 0.00 66.02 65.30 1hva s SER 50 CO 0.09 -0.28 1.66 -1.22 0.41 0.00 0.00 173.24 173.90 1hva n TYR 51 N 3.53 1.57 -2.13 2.43 4.01 -1.26 -2.55 117.16 122.76 1hva n TYR 51 Ca 0.05 -0.62 -0.43 0.00 -0.16 0.00 0.00 57.90 56.75 1hva n TYR 51 Cb 0.35 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1hva n TYR 51 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1hva s ASP 52 N -0.89 6.56 0.00 7.72 1.01 -1.26 -2.62 116.67 127.20 1hva s ASP 52 Ca 0.52 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1hva s ASP 52 Cb 0.34 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1hva s ASP 52 CO 0.25 -1.07 0.00 1.67 0.21 0.00 0.00 175.17 176.23 1hva n GLN 53 N 7.32 0.00 -2.95 8.23 -0.06 -1.26 -4.62 117.38 124.03 1hva n GLN 53 Ca 0.17 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.76 1hva n GLN 53 Cb 0.44 -2.08 -0.05 0.00 -4.06 0.00 0.00 30.24 24.50 1hva n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1hva s ALA 54 N -2.35 3.54 -0.33 1.69 0.00 -1.08 -4.08 121.76 119.16 1hva s ALA 54 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1hva s ALA 54 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1hva s ALA 54 CO 0.00 -1.18 0.09 0.99 0.00 0.00 0.00 175.76 175.66 1hva s THR 55 N 2.93 3.66 0.56 0.00 2.01 -1.26 -4.81 115.64 118.73 1hva s THR 55 Ca 0.32 -1.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 1hva s THR 55 Cb -0.14 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1hva s THR 55 CO 0.12 -0.16 1.02 -0.94 -0.69 0.00 0.00 174.62 173.97 1hva s SER 56 N 1.38 6.25 0.00 3.53 1.04 -1.26 -0.87 113.70 123.77 1hva s SER 56 Ca -0.02 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1hva s SER 56 Cb -0.19 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1hva s SER 56 CO 0.02 -0.85 0.00 0.18 0.98 0.00 0.00 173.24 173.57 1hva n LEU 57 N -1.98 0.00 -4.17 2.42 4.77 -0.53 -4.32 117.00 113.19 1hva n LEU 57 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1hva n LEU 57 Cb 0.54 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1hva n LEU 57 CO 0.49 -0.31 -0.41 0.00 -1.33 0.00 0.00 177.39 175.83 1hva s ARG 58 N -0.62 0.83 0.00 3.23 1.04 -1.25 -0.76 118.95 121.43 1hva s ARG 58 Ca 0.00 -1.16 0.05 0.00 -1.04 0.00 0.00 55.73 53.58 1hva s ARG 58 Cb 0.00 -0.49 -0.03 0.00 -2.04 0.00 0.00 34.95 32.39 1hva s ARG 58 CO 0.00 0.07 -0.14 -1.50 -0.04 0.00 0.00 175.30 173.69 1hva s ILE 59 N -2.52 3.10 0.02 4.99 2.07 -0.37 -2.22 121.20 126.26 1hva s ILE 59 Ca 0.05 -0.93 -0.08 0.00 -1.41 0.00 0.00 60.65 58.28 1hva s ILE 59 Cb -0.02 -2.29 -0.00 0.00 0.13 0.00 0.00 42.46 40.28 1hva s ILE 59 CO -0.00 0.43 0.14 -1.48 -1.91 0.00 0.00 174.94 172.12 1hva s LEU 60 N -1.21 1.55 -0.26 8.50 2.34 -0.38 -1.35 118.68 127.86 1hva s LEU 60 Ca 0.14 -0.31 -0.16 0.00 0.06 0.00 0.00 54.13 53.85 1hva s LEU 60 Cb -0.11 0.74 -0.03 0.00 -0.56 0.00 0.00 46.19 46.23 1hva s LEU 60 CO 0.04 -0.45 0.45 0.21 -1.06 0.00 0.00 176.35 175.54 1hva s ASN 61 N -1.72 6.35 -0.03 1.48 3.84 -1.02 -1.82 114.94 122.03 1hva s ASN 61 Ca -0.10 0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.52 1hva s ASN 61 Cb -0.05 -2.25 0.42 0.00 -0.55 0.00 0.00 41.25 38.82 1hva s ASN 61 CO -0.01 -0.24 1.35 -0.46 -2.79 0.00 0.00 177.10 174.95 1hva n ASN 62 N 5.43 3.34 0.00 -4.21 0.23 -0.88 -1.84 115.26 117.32 1hva n ASN 62 Ca -0.06 -2.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 1hva n ASN 62 Cb 0.50 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1hva n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hva n GLY 63 N 0.62 0.79 0.00 4.83 0.00 -1.26 -4.79 105.19 105.37 1hva n GLY 63 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1hva n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hva n HIS 64 N -2.32 0.00 -3.68 1.61 8.25 -1.26 -4.81 115.22 113.01 1hva n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1hva n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1hva n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hva n ALA 65 N -0.43 -1.47 -2.47 -1.41 0.00 -1.26 -4.87 120.51 108.60 1hva n ALA 65 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1hva n ALA 65 Cb 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1hva n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hva s PHE 66 N -3.90 2.46 0.07 0.00 -0.12 -1.26 -2.07 117.98 113.17 1hva s PHE 66 Ca 0.13 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1hva s PHE 66 Cb -0.02 -1.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.05 1hva s PHE 66 CO 0.03 0.40 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.74 1hva s ASN 67 N -2.25 0.90 -0.11 1.98 0.02 -0.75 -3.83 114.94 110.89 1hva s ASN 67 Ca 0.18 -0.85 0.03 0.00 -1.02 0.00 0.00 52.86 51.20 1hva s ASN 67 Cb -0.10 0.10 0.01 0.00 0.02 0.00 0.00 41.25 41.27 1hva s ASN 67 CO 0.10 -0.41 -0.22 -0.69 0.02 0.00 0.00 177.10 175.90 1hva s VAL 68 N -2.94 1.95 -0.07 1.60 1.01 -1.16 -1.25 120.40 119.53 1hva s VAL 68 Ca 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1hva s VAL 68 Cb 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1hva s VAL 68 CO -0.04 0.53 0.24 -0.70 0.00 0.00 0.00 175.10 175.14 1hva s GLU 69 N 0.56 3.63 0.30 2.72 2.12 -0.94 -2.14 118.70 124.94 1hva s GLU 69 Ca -0.14 0.08 0.10 0.00 0.36 0.00 0.00 54.97 55.37 1hva s GLU 69 Cb -0.17 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1hva s GLU 69 CO 0.05 0.74 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.43 1hva s PHE 70 N -1.04 2.57 -1.04 5.30 0.40 0.06 -1.45 117.98 122.79 1hva s PHE 70 Ca 0.18 -0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 1hva s PHE 70 Cb -0.14 -1.31 0.10 0.00 0.51 0.00 0.00 43.02 42.18 1hva s PHE 70 CO 0.08 0.56 1.35 0.34 0.70 0.00 0.00 175.22 178.25 1hva s ASP 71 N -3.68 6.66 -1.41 1.36 -1.08 -0.04 -4.84 116.67 113.63 1hva s ASP 71 Ca 0.33 -1.98 -0.13 0.00 -0.52 0.00 0.00 52.55 50.25 1hva s ASP 71 Cb -0.03 -2.48 0.07 0.00 -1.46 0.00 0.00 42.92 39.02 1hva s ASP 71 CO 0.19 -1.21 2.11 -0.90 0.52 0.00 0.00 175.17 175.89 1hva n ASP 72 N 7.53 4.24 0.00 -0.34 5.68 -1.26 -4.76 116.55 127.64 1hva n ASP 72 Ca 0.32 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 1hva n ASP 72 Cb 0.49 -1.62 0.00 0.00 -1.14 0.00 0.00 41.12 38.85 1hva n ASP 72 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1hva n SER 73 N 5.64 0.00 -3.32 -1.12 7.64 -1.26 -5.04 113.62 116.15 1hva n SER 73 Ca 0.49 0.02 -0.12 0.00 1.01 0.00 0.00 58.87 60.27 1hva n SER 73 Cb 0.39 -0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 1hva n SER 73 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1hva n GLN 74 N -1.19 0.28 -1.78 1.43 -0.06 -1.26 -4.93 117.38 109.88 1hva n GLN 74 Ca 0.00 -1.41 -0.41 0.00 -2.00 0.00 0.00 57.00 53.18 1hva n GLN 74 Cb 0.00 -0.33 -0.01 0.00 -4.06 0.00 0.00 30.24 25.85 1hva n GLN 74 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1hva n ASP 75 N -2.93 5.71 -0.05 1.69 8.00 -1.26 -4.62 116.55 123.09 1hva n ASP 75 Ca 0.08 -2.86 -0.04 0.00 0.71 0.00 0.00 54.79 52.69 1hva n ASP 75 Cb 0.30 -1.57 -0.01 0.00 -0.02 0.00 0.00 41.12 39.82 1hva n ASP 75 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1hva n LYS 76 N 4.61 0.28 -3.16 -1.24 2.85 -1.26 -4.61 118.16 115.62 1hva n LYS 76 Ca 0.57 0.32 -0.42 0.00 -1.05 0.00 0.00 58.31 57.73 1hva n LYS 76 Cb 0.33 -1.23 -0.07 0.00 -0.65 0.00 0.00 35.03 33.41 1hva n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hva s ALA 77 N -2.87 3.44 0.03 0.58 0.00 -1.26 -4.38 121.76 117.30 1hva s ALA 77 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1hva s ALA 77 Cb 0.02 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1hva s ALA 77 CO 0.17 -1.41 -0.05 0.14 0.00 0.00 0.00 175.76 174.61 1hva s VAL 78 N 2.61 0.33 -0.18 0.00 -7.23 -1.06 -2.68 120.40 112.19 1hva s VAL 78 Ca 0.22 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1hva s VAL 78 Cb -0.15 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 1hva s VAL 78 CO 0.15 -0.48 0.01 -0.22 -0.31 0.00 0.00 175.10 174.25 1hva s LEU 79 N -1.62 3.42 0.18 1.32 0.20 0.03 -1.05 118.68 121.17 1hva s LEU 79 Ca -0.11 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.61 1hva s LEU 79 Cb -0.09 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 1hva s LEU 79 CO -0.01 0.12 0.05 -0.54 -0.29 0.00 0.00 176.35 175.68 1hva s LYS 80 N 0.67 1.14 1.21 1.98 1.02 0.17 -1.40 119.74 124.53 1hva s LYS 80 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1hva s LYS 80 Cb -0.14 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1hva s LYS 80 CO 0.02 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1hva n GLY 81 N -0.26 -1.67 7.00 -3.33 0.00 -1.26 -0.00 105.19 105.67 1hva n GLY 81 Ca -0.04 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1hva n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hva n GLY 82 N 0.00 1.01 0.60 -0.02 0.00 0.17 -1.12 105.19 105.83 1hva n GLY 82 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1hva n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hva n PRO 83 N 5.95 0.93 -4.08 1.61 -0.04 -1.26 -3.11 135.00 134.99 1hva n PRO 83 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1hva n PRO 83 Cb 0.00 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1hva n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hva s LEU 84 N 0.00 3.81 -0.20 1.53 1.43 -0.28 -5.07 118.68 119.90 1hva s LEU 84 Ca 0.00 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1hva s LEU 84 Cb 0.00 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.85 1hva s LEU 84 CO 0.00 0.07 -0.05 -1.81 0.23 0.00 0.00 176.35 174.79 1hva s ASP 85 N -3.08 3.35 0.00 2.29 1.01 -1.26 -4.29 116.67 114.69 1hva s ASP 85 Ca 0.31 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.64 1hva s ASP 85 Cb -0.10 -1.04 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1hva s ASP 85 CO 0.23 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.01 1hva n GLY 86 N 4.78 -1.14 3.56 0.21 0.00 -1.26 -4.93 105.19 106.41 1hva n GLY 86 Ca -0.12 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.30 1hva n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hva s THR 87 N -0.66 5.06 -0.22 2.61 2.01 -1.26 -4.71 115.64 118.47 1hva s THR 87 Ca 0.00 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 1hva s THR 87 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1hva s THR 87 CO 0.00 0.28 0.31 -0.31 -0.69 0.00 0.00 174.62 174.21 1hva s TYR 88 N 1.69 3.35 0.10 4.92 1.51 -0.50 -2.08 117.35 126.35 1hva s TYR 88 Ca 0.07 0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 56.53 1hva s TYR 88 Cb -0.16 -2.43 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 1hva s TYR 88 CO 0.09 0.02 0.37 0.50 -1.11 0.00 0.00 175.55 175.41 1hva s ARG 89 N 1.22 3.66 -0.28 -0.62 3.52 0.62 -0.79 118.95 126.30 1hva s ARG 89 Ca 0.15 0.00 -0.24 0.00 -0.13 0.00 0.00 55.73 55.51 1hva s ARG 89 Cb -0.14 -2.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1hva s ARG 89 CO 0.07 0.53 0.81 -1.17 -0.81 0.00 0.00 175.30 174.73 1hva s LEU 90 N -2.25 4.07 -0.24 -0.88 2.96 -1.09 0.17 118.68 121.42 1hva s LEU 90 Ca 0.36 0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 54.95 1hva s LEU 90 Cb -0.13 -3.14 -0.15 0.00 0.50 0.00 0.00 46.19 43.28 1hva s LEU 90 CO 0.21 -0.57 -0.09 0.00 -1.32 0.00 0.00 176.35 174.58 1hva n ILE 91 N 5.41 1.53 -3.65 6.68 0.13 -0.73 -4.24 119.36 124.49 1hva n ILE 91 Ca 0.05 -0.17 -0.06 0.00 -1.10 0.00 0.00 62.75 61.46 1hva n ILE 91 Cb 0.48 -2.00 0.02 0.00 -0.84 0.00 0.00 39.64 37.30 1hva n ILE 91 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1hva n GLN 92 N -4.36 0.82 -4.11 9.51 10.64 -1.15 -0.76 117.38 127.97 1hva n GLN 92 Ca -0.41 -1.62 -0.15 0.00 -1.83 0.00 0.00 57.00 52.99 1hva n GLN 92 Cb 0.75 2.05 -0.12 0.00 -0.86 0.00 0.00 30.24 32.06 1hva n GLN 92 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1hva s PHE 93 N -3.57 0.79 0.16 2.61 -0.12 -0.91 -0.50 117.98 116.44 1hva s PHE 93 Ca 0.13 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 1hva s PHE 93 Cb -0.04 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 1hva s PHE 93 CO 0.08 -0.04 0.09 0.00 -0.05 0.00 0.00 175.22 175.30 1hva s PHE 95 N -1.70 0.03 -0.12 0.00 0.08 -1.25 -1.43 117.98 113.59 1hva s PHE 95 Ca 0.30 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1hva s PHE 95 Cb -0.10 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1hva s PHE 95 CO 0.22 -0.13 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.12 1hva s HIS 96 N 1.43 2.91 0.20 0.36 3.76 0.76 -4.61 115.29 120.10 1hva s HIS 96 Ca -0.05 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 54.44 1hva s HIS 96 Cb -0.13 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 1hva s HIS 96 CO -0.03 -0.03 0.23 1.67 -0.85 0.00 0.00 174.74 175.74 1hva s TRP 97 N 0.09 0.80 0.50 1.40 -2.14 -1.23 -1.19 118.94 117.17 1hva s TRP 97 Ca -0.03 -1.10 0.06 0.00 2.66 0.00 0.00 56.10 57.69 1hva s TRP 97 Cb -0.14 -0.28 0.02 0.00 -3.10 0.00 0.00 33.47 29.96 1hva s TRP 97 CO 0.04 -0.73 0.39 0.20 -2.66 0.00 0.00 176.95 174.18 1hva s GLY 98 N -3.08 2.28 0.00 3.67 0.00 -1.21 -1.20 107.32 107.78 1hva s GLY 98 Ca 0.30 -1.55 0.31 0.00 0.00 0.00 0.00 44.72 43.77 1hva s GLY 98 CO 0.08 -1.87 2.16 -1.14 0.00 0.00 0.00 173.10 172.34 1hva n SER 99 N -1.67 0.00 -3.84 1.64 3.41 -1.26 -4.31 113.62 107.59 1hva n SER 99 Ca 0.00 -0.80 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 1hva n SER 99 Cb 0.64 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1hva n SER 99 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1hva s LEU 100 N -2.12 0.08 0.00 1.04 2.96 -1.26 -5.06 118.68 114.31 1hva s LEU 100 Ca 0.43 -0.63 0.17 0.00 -0.22 0.00 0.00 54.13 53.88 1hva s LEU 100 Cb 0.21 2.16 0.92 0.00 0.50 0.00 0.00 46.19 49.98 1hva s LEU 100 CO 0.38 -1.14 1.47 0.47 -1.32 0.00 0.00 176.35 176.21 1hva n ASP 101 N -0.38 0.00 -1.33 3.68 9.92 -1.26 -3.57 116.55 123.61 1hva n ASP 101 Ca -0.06 -0.18 0.04 0.00 -0.53 0.00 0.00 54.79 54.06 1hva n ASP 101 Cb 0.62 -0.18 0.29 0.00 -0.64 0.00 0.00 41.12 41.21 1hva n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1hva n GLY 102 N 0.11 3.87 3.40 0.44 0.00 -1.26 -4.04 105.19 107.71 1hva n GLY 102 Ca 0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1hva n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hva s GLN 103 N -2.90 1.23 0.00 1.61 -0.21 -1.23 -4.71 119.66 113.44 1hva s GLN 103 Ca 0.47 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1hva s GLN 103 Cb 0.38 0.42 0.00 0.00 1.00 0.00 0.00 33.01 34.81 1hva s GLN 103 CO 0.10 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 1hva n GLY 104 N -0.25 2.23 3.84 3.09 0.00 -1.23 -3.35 105.19 109.52 1hva n GLY 104 Ca -0.08 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1hva n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hva s SER 105 N -0.19 6.88 -0.07 1.61 1.04 -1.22 -3.52 113.70 118.22 1hva s SER 105 Ca 0.00 1.20 -0.27 0.00 0.48 0.00 0.00 55.95 57.36 1hva s SER 105 Cb 0.00 -2.34 -0.23 0.00 0.10 0.00 0.00 66.02 63.55 1hva s SER 105 CO 0.00 0.02 1.03 -0.33 0.98 0.00 0.00 173.24 174.95 1hva h GLU 106 N 3.24 0.04 -6.61 4.02 5.08 -1.90 -3.46 114.58 115.00 1hva h GLU 106 Ca -0.48 -0.04 -0.51 0.00 -1.00 0.00 0.00 59.36 57.33 1hva h GLU 106 Cb 1.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1hva h GLU 106 CO 0.66 0.77 0.12 -1.01 -1.00 0.00 0.00 179.01 178.55 1hva s HIS 107 N -3.27 3.62 0.19 4.33 3.76 -1.26 -4.34 115.29 118.33 1hva s HIS 107 Ca -0.17 1.40 0.09 0.00 -0.15 0.00 0.00 55.06 56.23 1hva s HIS 107 Cb -0.00 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 1hva s HIS 107 CO 0.69 0.30 -0.12 0.95 -0.85 0.00 0.00 174.74 175.72 1hva s THR 108 N -1.58 3.04 -0.22 1.30 -4.23 -1.14 -4.75 115.64 108.05 1hva s THR 108 Ca 0.45 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1hva s THR 108 Cb -0.16 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.18 1hva s THR 108 CO 0.21 -0.15 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.35 1hva s VAL 109 N -1.79 2.76 -1.04 2.29 1.01 -0.71 -0.77 120.40 122.15 1hva s VAL 109 Ca 0.25 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1hva s VAL 109 Cb -0.08 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1hva s VAL 109 CO 0.15 0.36 0.78 0.47 0.00 0.00 0.00 175.10 176.85 1hva n ASP 110 N 4.68 -5.76 -0.63 3.32 8.00 0.68 -0.24 116.55 126.61 1hva n ASP 110 Ca -0.18 -0.86 -0.03 0.00 0.71 0.00 0.00 54.79 54.43 1hva n ASP 110 Cb 0.49 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 37.95 1hva n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hva n LYS 111 N -3.60 -1.54 -3.47 -1.24 4.76 -1.26 -4.95 118.16 106.85 1hva n LYS 111 Ca -0.10 0.26 -0.38 0.00 -2.87 0.00 0.00 58.31 55.22 1hva n LYS 111 Cb 0.59 -3.90 -0.06 0.00 -1.84 0.00 0.00 35.03 29.82 1hva n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hva s LYS 112 N -1.62 4.08 -0.09 1.97 2.20 0.67 -5.01 119.74 121.94 1hva s LYS 112 Ca 0.00 0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.92 1hva s LYS 112 Cb 0.00 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1hva s LYS 112 CO 0.00 0.47 0.06 0.15 -0.36 0.00 0.00 175.35 175.67 1hva s LYS 113 N -0.34 3.15 0.36 4.03 1.02 -1.26 -1.74 119.74 124.96 1hva s LYS 113 Ca 0.23 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1hva s LYS 113 Cb -0.15 -2.94 0.06 0.00 -0.52 0.00 0.00 37.83 34.28 1hva s LYS 113 CO 0.10 0.72 0.49 0.66 -0.92 0.00 0.00 175.35 176.41 1hva n TYR 114 N 1.94 -2.77 0.19 3.18 4.01 -1.26 -4.66 117.16 117.78 1hva n TYR 114 Ca -0.18 -1.14 0.11 0.00 -0.16 0.00 0.00 57.90 56.53 1hva n TYR 114 Cb 0.54 -0.35 0.12 0.00 -0.31 0.00 0.00 39.34 39.34 1hva n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hva h ALA 115 N 0.02 0.86 -2.37 -0.72 0.00 -1.05 -3.23 119.26 112.77 1hva h ALA 115 Ca -0.17 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.86 1hva h ALA 115 Cb 0.71 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1hva h ALA 115 CO 0.21 0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.96 1hva s ALA 116 N -3.24 -1.70 -0.00 0.00 0.00 -1.21 -3.85 121.76 111.76 1hva s ALA 116 Ca 0.05 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1hva s ALA 116 Cb 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1hva s ALA 116 CO 0.70 -0.89 -0.06 -2.00 0.00 0.00 0.00 175.76 173.51 1hva s GLU 117 N -3.26 0.47 0.04 0.00 2.12 -0.33 -1.66 118.70 116.08 1hva s GLU 117 Ca 0.09 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.25 1hva s GLU 117 Cb -0.01 -0.45 -0.03 0.00 0.26 0.00 0.00 34.13 33.90 1hva s GLU 117 CO -0.03 0.12 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.51 1hva s LEU 118 N -0.20 2.85 -0.09 2.70 2.96 -0.14 -0.17 118.68 126.58 1hva s LEU 118 Ca 0.02 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1hva s LEU 118 Cb -0.03 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1hva s LEU 118 CO -0.00 0.25 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.24 1hva s HIS 119 N -1.00 1.01 -0.26 5.38 3.76 -0.51 -1.53 115.29 122.14 1hva s HIS 119 Ca 0.17 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.58 1hva s HIS 119 Cb -0.11 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 1hva s HIS 119 CO 0.07 -0.40 0.13 -0.51 -0.85 0.00 0.00 174.74 173.18 1hva s LEU 120 N 1.80 3.74 -0.24 0.89 1.02 -0.48 -1.27 118.68 124.14 1hva s LEU 120 Ca 0.04 -0.10 -0.09 0.00 0.02 0.00 0.00 54.13 54.01 1hva s LEU 120 Cb -0.12 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 1hva s LEU 120 CO -0.06 -0.03 0.11 -0.69 0.02 0.00 0.00 176.35 175.69 1hva s VAL 121 N 1.62 4.78 0.13 -1.59 1.01 0.34 -1.71 120.40 124.98 1hva s VAL 121 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1hva s VAL 121 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1hva s VAL 121 CO 0.07 0.35 -0.16 -1.00 0.00 0.00 0.00 175.10 174.35 1hva s HIS 122 N 1.27 1.59 0.06 5.22 3.76 -0.17 -1.77 115.29 125.24 1hva s HIS 122 Ca 0.06 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 1hva s HIS 122 Cb -0.14 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 1hva s HIS 122 CO 0.05 0.21 -0.20 1.67 -0.85 0.00 0.00 174.74 175.62 1hva s TRP 123 N -1.90 1.70 -0.36 1.40 1.48 0.13 -0.34 118.94 121.04 1hva s TRP 123 Ca 0.10 -0.38 -0.27 0.00 -1.06 0.00 0.00 56.10 54.48 1hva s TRP 123 Cb -0.06 -0.99 -0.04 0.00 -1.16 0.00 0.00 33.47 31.21 1hva s TRP 123 CO 0.04 0.11 2.12 1.21 -4.06 0.00 0.00 176.95 176.38 1hva s ASN 124 N -1.36 5.27 0.57 -2.66 3.84 0.37 -0.27 114.94 120.70 1hva s ASN 124 Ca 0.06 1.35 0.31 0.00 0.21 0.00 0.00 52.86 54.79 1hva s ASN 124 Cb -0.09 -2.51 1.43 0.00 -0.55 0.00 0.00 41.25 39.52 1hva s ASN 124 CO 0.02 -2.19 1.78 0.71 -2.79 0.00 0.00 177.10 174.63 1hva h THR 125 N 7.18 0.34 0.00 -5.21 1.35 -1.77 -2.25 112.91 112.55 1hva h THR 125 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1hva h THR 125 Cb 1.22 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1hva h THR 125 CO 1.06 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.62 1hva n LYS 127 N -3.84 0.11 -0.53 4.72 2.85 -1.26 -0.45 118.16 119.76 1hva n LYS 127 Ca 0.17 0.59 0.08 0.00 -1.05 0.00 0.00 58.31 58.10 1hva n LYS 127 Cb 1.01 -1.85 0.29 0.00 -0.65 0.00 0.00 35.03 33.83 1hva n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hva n TYR 128 N -2.09 1.19 0.00 5.58 4.01 -0.85 -4.99 117.16 120.00 1hva n TYR 128 Ca -0.01 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 1hva n TYR 128 Cb 0.04 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1hva n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hva n GLY 129 N 0.03 0.00 0.00 2.72 0.00 0.41 -4.51 105.19 103.84 1hva n GLY 129 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1hva n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hva n ASP 130 N 0.00 0.00 -0.23 1.61 5.68 -1.26 -4.99 116.55 117.36 1hva n ASP 130 Ca 0.00 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.51 1hva n ASP 130 Cb 0.00 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.55 1hva n ASP 130 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1hva h PHE 131 N 0.00 0.41 -0.21 2.11 3.57 -1.95 -0.19 116.94 120.68 1hva h PHE 131 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1hva h PHE 131 Cb 0.00 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1hva h PHE 131 CO 0.00 0.10 0.05 0.78 -2.23 0.00 0.00 178.31 177.01 1hva h GLY 132 N 0.30 0.36 -1.46 2.40 0.00 -1.94 -2.97 103.07 99.76 1hva h GLY 132 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1hva h GLY 132 CO -0.14 0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.78 1hva n LYS 133 N -4.76 2.11 0.01 4.80 3.00 -0.29 -4.38 118.16 118.66 1hva n LYS 133 Ca -0.04 -1.63 -0.16 0.00 -0.00 0.00 0.00 58.31 56.49 1hva n LYS 133 Cb 0.17 -1.47 -0.14 0.00 0.00 0.00 0.00 35.03 33.59 1hva n LYS 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hva h ALA 134 N 4.52 0.51 0.00 3.14 0.00 -0.95 -3.38 119.26 123.10 1hva h ALA 134 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.57 1hva h ALA 134 Cb 0.81 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hva h ALA 134 CO 0.00 1.37 0.00 -0.39 0.00 0.00 0.00 179.25 180.23 1hva h VAL 135 N 0.05 0.00 -0.30 0.00 -1.51 -1.74 -2.71 116.25 110.04 1hva h VAL 135 Ca -0.32 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1hva h VAL 135 Cb 2.02 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1hva h VAL 135 CO 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 1hva n GLN 136 N -2.60 2.09 -5.00 5.19 0.00 -1.26 -4.73 117.38 111.06 1hva n GLN 136 Ca 0.00 -1.25 -0.28 0.00 0.00 0.00 0.00 57.00 55.47 1hva n GLN 136 Cb 0.19 -1.46 -0.16 0.00 0.00 0.00 0.00 30.24 28.81 1hva n GLN 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1hva s GLN 137 N -1.64 2.11 0.38 2.61 2.00 -1.02 -5.01 119.66 119.09 1hva s GLN 137 Ca 0.23 -0.72 0.22 0.00 -2.00 0.00 0.00 55.36 53.08 1hva s GLN 137 Cb 0.14 -1.80 1.19 0.00 0.80 0.00 0.00 33.01 33.34 1hva s GLN 137 CO 0.12 0.29 1.64 -1.00 -0.50 0.00 0.00 175.29 175.84 1hva h PRO 138 N 6.21 0.00 -0.33 1.67 0.13 -1.85 -2.54 132.00 135.30 1hva h PRO 138 Ca -0.32 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 1hva h PRO 138 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1hva h PRO 138 CO 0.47 0.00 -0.34 -0.40 -0.23 0.00 0.00 178.00 177.51 1hva n ASP 139 N -2.32 2.88 0.01 1.44 5.75 -1.26 -4.17 116.55 118.89 1hva n ASP 139 Ca -0.01 -3.83 -0.04 0.00 -0.01 0.00 0.00 54.79 50.90 1hva n ASP 139 Cb 0.15 -0.56 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 1hva n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hva h GLY 140 N 1.27 0.00 -4.73 6.12 0.00 -0.93 -3.43 103.07 101.38 1hva h GLY 140 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.18 1hva h GLY 140 CO 0.37 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 177.24 1hva s LEU 141 N -5.94 2.23 -0.06 3.11 1.43 -0.79 -0.48 118.68 118.18 1hva s LEU 141 Ca -0.03 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1hva s LEU 141 Cb 0.08 -0.33 0.01 0.00 0.03 0.00 0.00 46.19 45.99 1hva s LEU 141 CO 0.82 -0.11 -0.11 0.00 0.23 0.00 0.00 176.35 177.17 1hva s ALA 142 N -1.17 1.19 -0.15 4.21 0.00 0.54 -1.99 121.76 124.39 1hva s ALA 142 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1hva s ALA 142 Cb -0.09 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1hva s ALA 142 CO 0.01 0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.80 1hva s VAL 143 N 0.72 1.51 -0.14 0.00 1.01 -1.15 -1.00 120.40 121.34 1hva s VAL 143 Ca -0.14 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1hva s VAL 143 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1hva s VAL 143 CO 0.03 0.44 0.64 -0.76 0.00 0.00 0.00 175.10 175.44 1hva s LEU 144 N 1.51 4.22 -0.13 3.92 1.43 -0.70 -1.24 118.68 127.69 1hva s LEU 144 Ca 0.05 0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1hva s LEU 144 Cb -0.13 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1hva s LEU 144 CO -0.10 -0.19 0.04 -0.83 0.23 0.00 0.00 176.35 175.50 1hva s GLY 145 N 0.98 1.90 -0.06 -3.19 0.00 -0.30 -1.38 107.32 105.28 1hva s GLY 145 Ca 0.31 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1hva s GLY 145 CO 0.13 -0.29 -0.08 -0.42 0.00 0.00 0.00 173.10 172.43 1hva s ILE 146 N -0.38 0.83 0.37 0.90 1.01 -0.58 -2.36 121.20 120.97 1hva s ILE 146 Ca 0.08 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 1hva s ILE 146 Cb -0.12 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 1hva s ILE 146 CO 0.02 0.29 0.87 -0.36 0.00 0.00 0.00 174.94 175.76 1hva s PHE 147 N 0.81 3.41 -0.09 3.97 0.08 -1.26 -0.97 117.98 123.93 1hva s PHE 147 Ca -0.13 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.48 1hva s PHE 147 Cb -0.15 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1hva s PHE 147 CO 0.02 0.03 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.43 1hva s LEU 148 N -2.86 2.04 0.13 -0.37 1.02 -0.67 -1.03 118.68 116.94 1hva s LEU 148 Ca 0.57 -0.52 0.09 0.00 0.02 0.00 0.00 54.13 54.28 1hva s LEU 148 Cb -0.11 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 1hva s LEU 148 CO 0.16 0.16 -0.17 -1.59 0.02 0.00 0.00 176.35 174.93 1hva s LYS 149 N 0.31 1.83 -0.09 1.70 -2.85 -0.19 -0.69 119.74 119.75 1hva s LYS 149 Ca -0.17 -1.19 -0.25 0.00 -1.00 0.00 0.00 55.97 53.36 1hva s LYS 149 Cb -0.17 -2.12 -0.03 0.00 -2.06 0.00 0.00 37.83 33.45 1hva s LYS 149 CO 0.08 0.47 0.80 0.08 0.10 0.00 0.00 175.35 176.88 1hva s VAL 150 N -1.23 4.96 0.00 1.79 1.01 -1.25 -0.33 120.40 125.34 1hva s VAL 150 Ca 0.19 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1hva s VAL 150 Cb -0.10 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1hva s VAL 150 CO 0.11 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1hva n GLY 151 N 3.20 3.36 3.77 4.51 0.00 0.23 -4.85 105.19 115.42 1hva n GLY 151 Ca 0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1hva n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hva s SER 152 N 2.00 4.35 0.67 1.61 0.01 -1.26 -3.53 113.70 117.55 1hva s SER 152 Ca 0.00 1.52 -0.13 0.00 1.31 0.00 0.00 55.95 58.65 1hva s SER 152 Cb 0.00 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.97 1hva s SER 152 CO 0.00 -2.09 1.07 0.00 0.41 0.00 0.00 173.24 172.64 1hva s ALA 153 N -3.02 2.59 -0.42 1.44 0.00 -1.26 -3.09 121.76 117.99 1hva s ALA 153 Ca 0.61 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 1hva s ALA 153 Cb -0.16 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1hva s ALA 153 CO 0.56 -1.18 0.34 0.21 0.00 0.00 0.00 175.76 175.68 1hva s LYS 154 N -4.51 2.99 0.37 0.00 2.47 -1.03 -4.84 119.74 115.17 1hva s LYS 154 Ca 0.62 -1.05 0.06 0.00 -1.56 0.00 0.00 55.97 54.04 1hva s LYS 154 Cb -0.16 -4.01 0.74 0.00 -1.46 0.00 0.00 37.83 32.94 1hva s LYS 154 CO 0.46 -0.82 1.98 -1.35 0.16 0.00 0.00 175.35 175.79 1hva h PRO 155 N 8.67 0.72 0.00 4.03 0.11 -1.91 -2.53 132.00 141.09 1hva h PRO 155 Ca -0.27 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1hva h PRO 155 Cb 1.12 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1hva h PRO 155 CO 0.77 0.48 -0.13 0.78 -0.21 0.00 0.00 178.00 179.69 1hva h GLY 156 N 0.74 0.00 1.67 -0.55 0.00 -1.94 -1.67 103.07 101.32 1hva h GLY 156 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1hva h GLY 156 CO -0.08 0.00 -0.23 -0.10 0.00 0.00 0.00 176.54 176.13 1hva n LEU 157 N -4.01 0.69 -0.28 3.11 7.94 -0.95 -4.11 117.00 119.40 1hva n LEU 157 Ca -0.02 0.43 0.02 0.00 -1.11 0.00 0.00 56.01 55.32 1hva n LEU 157 Cb 0.21 -0.29 0.15 0.00 0.53 0.00 0.00 43.42 44.02 1hva n LEU 157 CO 0.33 -0.11 1.13 -0.61 -1.11 0.00 0.00 177.39 177.02 1hva h GLN 158 N 0.00 0.75 0.00 1.96 5.75 -1.36 -0.58 115.11 121.63 1hva h GLN 158 Ca 0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1hva h GLN 158 Cb 0.71 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1hva h GLN 158 CO 0.00 0.49 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.39 1hva h LYS 159 N 0.77 0.00 0.00 1.69 3.64 -1.78 -2.72 116.57 118.18 1hva h LYS 159 Ca 0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1hva h LYS 159 Cb 0.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1hva h LYS 159 CO -0.23 0.07 -0.04 0.28 -2.27 0.00 0.00 179.45 177.26 1hva h VAL 160 N 0.00 1.71 -0.25 2.00 2.07 -1.37 -2.89 116.25 117.52 1hva h VAL 160 Ca -0.00 -2.30 0.07 0.00 0.82 0.00 0.00 66.70 65.29 1hva h VAL 160 Cb 0.24 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1hva h VAL 160 CO 0.01 0.58 0.18 0.58 0.02 0.00 0.00 177.57 178.94 1hva h VAL 161 N -1.00 0.86 0.00 2.57 2.07 -1.31 -3.01 116.25 116.44 1hva h VAL 161 Ca -0.01 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.29 1hva h VAL 161 Cb 0.98 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1hva h VAL 161 CO -0.01 0.00 -1.27 0.44 0.02 0.00 0.00 177.57 176.75 1hva h ASP 162 N 0.00 0.00 1.91 0.57 3.32 -1.53 -3.32 116.42 117.38 1hva h ASP 162 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1hva h ASP 162 Cb 0.48 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1hva h ASP 162 CO -0.00 0.87 -0.08 1.62 -1.72 0.00 0.00 179.24 179.93 1hva h VAL 163 N 0.00 0.14 -0.51 -1.35 3.04 -1.38 -3.36 116.25 112.84 1hva h VAL 163 Ca -0.14 -1.20 0.15 0.00 -1.01 0.00 0.00 66.70 64.50 1hva h VAL 163 Cb 1.79 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 33.12 1hva h VAL 163 CO 0.09 0.08 0.51 -0.07 -1.01 0.00 0.00 177.57 177.18 1hva h LEU 164 N 0.00 0.00 -1.84 3.16 3.38 -1.64 -1.38 115.31 116.98 1hva h LEU 164 Ca -0.00 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.35 1hva h LEU 164 Cb 1.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 1hva h LEU 164 CO 0.01 0.00 0.93 -2.24 0.09 0.00 0.00 178.44 177.23 1hva h ASP 165 N 0.00 0.09 -0.03 -0.43 2.03 -1.82 -2.40 116.42 113.87 1hva h ASP 165 Ca 0.24 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1hva h ASP 165 Cb 1.27 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1hva h ASP 165 CO -0.00 -0.01 -0.01 -1.20 -1.03 0.00 0.00 179.24 176.99 1hva n SER 166 N -4.26 2.80 -1.01 4.15 7.64 -0.52 -4.28 113.62 118.15 1hva n SER 166 Ca 0.30 -1.90 0.01 0.00 1.01 0.00 0.00 58.87 58.29 1hva n SER 166 Cb 1.35 0.01 0.15 0.00 -1.01 0.00 0.00 64.21 64.71 1hva n SER 166 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1hva n ILE 167 N 1.20 1.87 -0.18 0.44 -5.35 -0.91 -4.47 119.36 111.97 1hva n ILE 167 Ca 0.13 -3.02 0.15 0.00 -0.27 0.00 0.00 62.75 59.75 1hva n ILE 167 Cb 0.54 -0.12 0.49 0.00 -1.74 0.00 0.00 39.64 38.82 1hva n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hva h LYS 168 N 1.21 0.43 -6.68 6.28 3.64 -1.73 -3.39 116.57 116.32 1hva h LYS 168 Ca 0.01 -0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.70 1hva h LYS 168 Cb 1.22 -0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.76 1hva h LYS 168 CO 0.12 0.28 -0.83 0.95 -2.27 0.00 0.00 179.45 177.71 1hva s THR 169 N -5.43 2.40 -0.93 1.00 -4.23 -1.26 -0.59 115.64 106.60 1hva s THR 169 Ca -0.08 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 1hva s THR 169 Cb 0.21 -2.13 -0.22 0.00 1.34 0.00 0.00 72.50 71.70 1hva s THR 169 CO 0.77 -0.06 2.54 1.17 -0.54 0.00 0.00 174.62 178.51 1hva n LYS 170 N 0.43 0.15 0.00 3.99 4.81 0.59 -1.63 118.16 126.49 1hva n LYS 170 Ca -0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1hva n LYS 170 Cb 0.55 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1hva n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hva n GLY 171 N 6.25 1.72 3.83 3.14 0.00 -0.77 -4.32 105.19 115.05 1hva n GLY 171 Ca 0.62 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.33 1hva n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hva s LYS 172 N 0.00 3.40 -0.02 1.61 -0.14 -0.65 -4.84 119.74 119.09 1hva s LYS 172 Ca 0.00 0.96 0.02 0.00 -1.36 0.00 0.00 55.97 55.60 1hva s LYS 172 Cb 0.00 -2.05 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1hva s LYS 172 CO 0.00 -0.73 -0.09 -1.12 -0.76 0.00 0.00 175.35 172.65 1hva s SER 173 N -3.51 1.16 -0.07 2.83 0.01 -1.26 -2.43 113.70 110.44 1hva s SER 173 Ca 0.59 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 1hva s SER 173 Cb -0.13 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1hva s SER 173 CO 0.46 0.06 -0.00 0.00 0.41 0.00 0.00 173.24 174.17 1hva s ALA 174 N 0.18 3.27 0.36 1.44 0.00 -0.46 -4.96 121.76 121.60 1hva s ALA 174 Ca -0.03 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 1hva s ALA 174 Cb -0.08 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.50 1hva s ALA 174 CO 0.00 0.60 1.18 -0.51 0.00 0.00 0.00 175.76 177.03 1hva s ASP 175 N -1.00 6.73 -0.37 0.00 1.11 -1.26 -1.23 116.67 120.65 1hva s ASP 175 Ca 0.14 2.39 0.05 0.00 0.18 0.00 0.00 52.55 55.32 1hva s ASP 175 Cb -0.11 -2.62 0.19 0.00 1.07 0.00 0.00 42.92 41.44 1hva s ASP 175 CO 0.04 -0.53 0.67 0.12 1.18 0.00 0.00 175.17 176.64 1hva s PHE 176 N -1.31 -1.61 0.30 4.23 5.36 0.06 -4.77 117.98 120.23 1hva s PHE 176 Ca 0.53 0.43 0.08 0.00 -0.96 0.00 0.00 56.93 57.00 1hva s PHE 176 Cb -0.33 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.61 1hva s PHE 176 CO 0.42 -1.05 0.21 0.99 -1.46 0.00 0.00 175.22 174.32 1hva s THR 177 N 2.11 3.81 -1.20 0.12 2.01 -1.24 -2.74 115.64 118.51 1hva s THR 177 Ca 0.15 -1.48 -0.06 0.00 0.31 0.00 0.00 61.69 60.60 1hva s THR 177 Cb -0.05 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1hva s THR 177 CO -0.12 -0.26 0.80 0.59 -0.69 0.00 0.00 174.62 174.93 1hva n ASN 178 N -1.22 -3.49 -4.50 3.53 5.03 -1.26 -4.92 115.26 108.43 1hva n ASN 178 Ca -0.05 -0.83 -0.33 0.00 0.87 0.00 0.00 54.58 54.24 1hva n ASN 178 Cb 0.59 -4.24 -0.12 0.00 -1.02 0.00 0.00 39.78 34.99 1hva n ASN 178 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1hva s PHE 179 N -3.53 2.89 -0.41 3.10 5.36 -1.26 -5.05 117.98 119.07 1hva s PHE 179 Ca 0.22 -0.22 -0.13 0.00 -0.96 0.00 0.00 56.93 55.84 1hva s PHE 179 Cb -0.06 -1.78 0.05 0.00 -0.34 0.00 0.00 43.02 40.89 1hva s PHE 179 CO 0.80 0.11 0.28 0.34 -1.46 0.00 0.00 175.22 175.30 1hva s ASP 180 N -0.30 5.91 0.35 6.13 2.15 -1.26 -4.59 116.67 125.06 1hva s ASP 180 Ca 0.04 -1.14 0.24 0.00 0.43 0.00 0.00 52.55 52.12 1hva s ASP 180 Cb -0.13 -2.09 1.26 0.00 -0.30 0.00 0.00 42.92 41.66 1hva s ASP 180 CO 0.03 -0.49 1.73 1.55 -0.17 0.00 0.00 175.17 177.81 1hva h PRO 181 N 8.56 0.00 0.00 4.34 0.13 -1.93 -2.07 132.00 141.03 1hva h PRO 181 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1hva h PRO 181 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1hva h PRO 181 CO 0.75 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.40 1hva h ARG 182 N 0.00 0.00 -0.47 0.86 3.08 -1.92 -2.54 114.38 113.39 1hva h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hva h ARG 182 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1hva h ARG 182 CO 0.00 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1hva n GLY 183 N -0.30 0.49 0.03 0.04 0.00 -0.78 -2.68 105.19 101.99 1hva n GLY 183 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1hva n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hva n LEU 184 N -0.05 1.23 -4.94 0.99 4.77 -0.96 -3.66 117.00 114.38 1hva n LEU 184 Ca 0.04 -1.16 -0.26 0.00 -0.03 0.00 0.00 56.01 54.60 1hva n LEU 184 Cb 0.23 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1hva n LEU 184 CO 0.04 0.30 -0.09 -0.76 -1.33 0.00 0.00 177.39 175.54 1hva s LEU 185 N -0.22 4.33 0.70 2.23 1.43 -1.09 -4.95 118.68 121.11 1hva s LEU 185 Ca 0.01 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1hva s LEU 185 Cb 0.01 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.34 1hva s LEU 185 CO 0.01 0.04 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 1hva s PRO 186 N -3.28 2.88 0.17 1.29 0.04 -1.26 -5.00 135.00 129.83 1hva s PRO 186 Ca 0.34 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.97 1hva s PRO 186 Cb -0.11 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1hva s PRO 186 CO 0.28 -1.09 1.63 1.49 0.04 0.00 0.00 177.00 179.35 1hva h GLU 187 N -0.71 -0.16 -5.99 4.56 4.81 -1.92 -3.42 114.58 111.76 1hva h GLU 187 Ca -0.45 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.15 1hva h GLU 187 Cb 1.22 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 1hva h GLU 187 CO 0.59 -0.10 -0.56 0.45 -0.73 0.00 0.00 179.01 178.66 1hva s SER 188 N -5.11 5.85 -0.15 1.04 0.15 -1.26 -5.02 113.70 109.20 1hva s SER 188 Ca -0.14 0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.83 1hva s SER 188 Cb 0.14 -1.71 0.53 0.00 -1.71 0.00 0.00 66.02 63.28 1hva s SER 188 CO 0.69 0.24 1.44 0.18 1.20 0.00 0.00 173.24 177.00 1hva n LEU 189 N 0.92 3.96 -4.57 3.45 4.32 -1.26 -4.66 117.00 119.17 1hva n LEU 189 Ca -0.11 -2.82 -0.30 0.00 -0.02 0.00 0.00 56.01 52.76 1hva n LEU 189 Cb 0.52 -0.51 0.19 0.00 -1.62 0.00 0.00 43.42 42.01 1hva n LEU 189 CO 0.42 0.69 0.49 0.47 -1.22 0.00 0.00 177.39 178.24 1hva n ASP 190 N -0.15 -0.67 -3.71 -1.43 8.00 -1.26 -4.75 116.55 112.59 1hva n ASP 190 Ca 0.21 0.20 -0.04 0.00 0.71 0.00 0.00 54.79 55.87 1hva n ASP 190 Cb 0.85 -1.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.58 1hva n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1hva s TYR 191 N -2.52 -0.11 0.00 1.24 -0.85 -1.26 -3.53 117.35 110.31 1hva s TYR 191 Ca 0.66 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.06 1hva s TYR 191 Cb -0.23 0.66 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 1hva s TYR 191 CO 0.62 -0.90 -0.25 -1.58 -1.52 0.00 0.00 175.55 171.91 1hva s TRP 192 N -3.23 2.24 0.02 -3.49 0.51 0.14 -1.63 118.94 113.50 1hva s TRP 192 Ca 0.13 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.72 1hva s TRP 192 Cb -0.02 -1.41 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 1hva s TRP 192 CO 0.03 0.02 -0.09 -0.08 -0.51 0.00 0.00 176.95 176.32 1hva s THR 193 N -0.66 0.70 -0.00 2.01 -1.32 -0.83 -0.98 115.64 114.55 1hva s THR 193 Ca 0.10 -0.68 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 1hva s THR 193 Cb -0.10 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1hva s THR 193 CO 0.00 -0.02 0.39 -0.72 -2.21 0.00 0.00 174.62 172.06 1hva s TYR 194 N -0.66 -0.27 0.27 9.09 1.13 -1.02 -2.35 117.35 123.54 1hva s TYR 194 Ca -0.01 0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 55.74 1hva s TYR 194 Cb -0.06 0.17 -0.09 0.00 -1.10 0.00 0.00 41.96 40.88 1hva s TYR 194 CO 0.00 -0.47 0.96 -1.25 -2.51 0.00 0.00 175.55 172.28 1hva s PRO 195 N -1.62 4.74 0.00 -3.49 0.04 -1.26 -0.88 135.00 132.54 1hva s PRO 195 Ca -0.11 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1hva s PRO 195 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1hva s PRO 195 CO 0.03 0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.89 1hva n GLY 196 N 1.17 2.99 1.55 0.56 0.00 0.99 -4.85 105.19 107.60 1hva n GLY 196 Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 1hva n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hva n SER 197 N -0.35 1.15 -4.84 1.61 3.41 -0.80 -1.83 113.62 111.96 1hva n SER 197 Ca 0.00 -1.67 -0.32 0.00 -0.26 0.00 0.00 58.87 56.62 1hva n SER 197 Cb 0.00 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1hva n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hva s LEU 198 N 0.00 3.66 0.06 1.04 1.43 -0.76 -4.66 118.68 119.46 1hva s LEU 198 Ca 0.20 1.56 0.23 0.00 -1.03 0.00 0.00 54.13 55.08 1hva s LEU 198 Cb -0.02 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 1hva s LEU 198 CO 0.13 -0.56 0.96 0.35 0.23 0.00 0.00 176.35 177.46 1hva n THR 199 N -1.49 0.22 -3.90 5.49 -2.24 -1.26 -4.44 114.28 106.66 1hva n THR 199 Ca 0.06 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 1hva n THR 199 Cb 0.54 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1hva n THR 199 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hva s THR 200 N -3.26 5.42 -0.08 4.28 2.01 -1.26 -4.76 115.64 117.98 1hva s THR 200 Ca 0.02 -0.20 -0.40 0.00 0.31 0.00 0.00 61.69 61.42 1hva s THR 200 Cb 0.14 -3.56 -0.19 0.00 0.01 0.00 0.00 72.50 68.89 1hva s THR 200 CO 0.81 0.28 1.13 -2.65 -0.69 0.00 0.00 174.62 173.50 1hva n PRO 201 N 0.78 0.00 0.05 4.92 -0.02 -1.26 -0.58 135.00 138.90 1hva n PRO 201 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1hva n PRO 201 Cb 0.52 -1.45 0.47 0.00 -0.02 0.00 0.00 33.50 33.02 1hva n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hva n PRO 202 N 1.87 0.11 -2.30 0.52 -0.02 -1.26 -4.99 135.00 128.93 1hva n PRO 202 Ca 0.21 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1hva n PRO 202 Cb 0.05 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1hva n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1hva n LEU 203 N -1.84 -1.61 -4.73 2.45 4.77 0.25 -4.83 117.00 111.45 1hva n LEU 203 Ca 0.05 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1hva n LEU 203 Cb 0.30 -1.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 1hva n LEU 203 CO 0.23 -0.05 0.95 -0.76 -1.33 0.00 0.00 177.39 176.43 1hva s LEU 204 N -3.08 4.42 -1.31 2.23 1.43 -1.26 -4.37 118.68 116.74 1hva s LEU 204 Ca 0.03 2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 1hva s LEU 204 Cb -0.02 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.69 1hva s LEU 204 CO 0.04 -0.49 1.77 -0.62 0.23 0.00 0.00 176.35 177.28 1hva n GLU 205 N 2.88 3.20 0.00 1.70 1.02 -1.26 -1.82 120.64 126.36 1hva n GLU 205 Ca 0.07 -3.29 0.00 0.00 -0.02 0.00 0.00 57.16 53.91 1hva n GLU 205 Cb 0.44 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 1hva n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hva s VAL 207 N -0.13 3.84 -0.42 0.00 1.01 -0.76 -1.88 120.40 122.06 1hva s VAL 207 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1hva s VAL 207 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1hva s VAL 207 CO 0.00 0.49 0.46 -0.89 0.00 0.00 0.00 175.10 175.16 1hva s THR 208 N 0.39 5.06 0.12 3.92 2.01 -0.84 -0.01 115.64 126.28 1hva s THR 208 Ca -0.04 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 1hva s THR 208 Cb -0.14 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1hva s THR 208 CO 0.03 -0.43 0.62 0.26 -0.69 0.00 0.00 174.62 174.41 1hva s TRP 209 N 2.20 3.77 -0.24 4.92 0.52 -0.06 -2.95 118.94 127.12 1hva s TRP 209 Ca 0.13 1.31 0.01 0.00 0.02 0.00 0.00 56.10 57.57 1hva s TRP 209 Cb -0.17 -2.53 0.06 0.00 -1.15 0.00 0.00 33.47 29.68 1hva s TRP 209 CO 0.14 0.52 -0.05 0.42 0.02 0.00 0.00 176.95 178.01 1hva s ILE 210 N -1.22 1.54 -0.11 2.03 1.09 -0.37 -2.44 121.20 121.72 1hva s ILE 210 Ca 0.33 -1.26 -0.04 0.00 -1.10 0.00 0.00 60.65 58.59 1hva s ILE 210 Cb -0.19 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.35 1hva s ILE 210 CO 0.20 -0.13 0.03 -0.69 -0.10 0.00 0.00 174.94 174.26 1hva s VAL 211 N 1.38 4.57 0.08 2.92 1.01 -0.15 -1.15 120.40 129.07 1hva s VAL 211 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1hva s VAL 211 Cb -0.19 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1hva s VAL 211 CO -0.07 0.58 0.43 -0.76 0.00 0.00 0.00 175.10 175.29 1hva s LEU 212 N -0.68 4.37 -0.10 3.92 1.02 -1.00 -0.68 118.68 125.53 1hva s LEU 212 Ca 0.11 0.88 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1hva s LEU 212 Cb -0.12 -2.97 -0.25 0.00 0.02 0.00 0.00 46.19 42.87 1hva s LEU 212 CO 0.02 0.18 0.44 1.17 0.02 0.00 0.00 176.35 178.19 1hva n LYS 213 N 1.04 0.71 -2.94 1.70 4.81 -1.23 -4.65 118.16 117.61 1hva n LYS 213 Ca -0.08 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.21 1hva n LYS 213 Cb 0.52 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 1hva n LYS 213 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1hva s GLU 214 N -2.57 4.31 1.06 1.64 2.12 -1.26 -5.06 118.70 118.93 1hva s GLU 214 Ca -0.17 0.96 -0.18 0.00 0.36 0.00 0.00 54.97 55.94 1hva s GLU 214 Cb 0.07 -3.55 0.26 0.00 0.26 0.00 0.00 34.13 31.17 1hva s GLU 214 CO 0.78 -0.25 0.94 -0.35 -0.54 0.00 0.00 175.26 175.85 1hva n PRO 215 N 4.97 -2.82 -5.23 4.30 -0.04 -1.26 -4.74 135.00 130.17 1hva n PRO 215 Ca 0.03 -1.51 -0.31 0.00 -0.04 0.00 0.00 63.50 61.67 1hva n PRO 215 Cb 0.49 -1.41 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 1hva n PRO 215 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1hva s ILE 216 N -2.72 2.04 -0.18 0.52 -4.36 -0.20 -4.77 121.20 111.53 1hva s ILE 216 Ca 0.61 -1.14 -0.26 0.00 -0.26 0.00 0.00 60.65 59.60 1hva s ILE 216 Cb -0.06 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 1hva s ILE 216 CO 0.47 0.54 0.87 -0.44 0.24 0.00 0.00 174.94 176.62 1hva s SER 217 N -0.70 6.98 0.07 4.36 0.01 -1.25 -1.02 113.70 122.15 1hva s SER 217 Ca 0.10 1.21 0.09 0.00 1.31 0.00 0.00 55.95 58.66 1hva s SER 217 Cb -0.10 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1hva s SER 217 CO -0.01 -0.44 -0.24 0.68 0.41 0.00 0.00 173.24 173.65 1hva s VAL 218 N 2.29 1.92 0.39 3.43 -7.23 0.55 -2.48 120.40 119.27 1hva s VAL 218 Ca 0.39 -1.42 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 1hva s VAL 218 Cb -0.16 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.99 1hva s VAL 218 CO 0.12 0.19 0.89 -0.94 -0.31 0.00 0.00 175.10 175.04 1hva s SER 219 N -1.48 6.94 0.51 4.85 1.04 -1.20 -0.60 113.70 123.76 1hva s SER 219 Ca 0.10 1.59 0.25 0.00 0.48 0.00 0.00 55.95 58.37 1hva s SER 219 Cb -0.10 -2.50 1.36 0.00 0.10 0.00 0.00 66.02 64.89 1hva s SER 219 CO 0.03 -0.28 1.73 0.28 0.98 0.00 0.00 173.24 175.98 1hva h SER 220 N 2.15 0.00 0.24 7.02 0.02 -1.93 0.43 113.55 121.49 1hva h SER 220 Ca -0.48 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.33 1hva h SER 220 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1hva h SER 220 CO 0.63 0.00 -0.52 -0.33 -1.14 0.00 0.00 176.83 175.47 1hva h GLU 221 N 0.00 0.31 0.13 3.45 5.08 -1.95 0.69 114.58 122.28 1hva h GLU 221 Ca 0.00 -0.18 -0.28 0.00 -1.00 0.00 0.00 59.36 57.90 1hva h GLU 221 Cb 0.49 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1hva h GLU 221 CO 0.00 0.75 -1.18 1.96 -1.00 0.00 0.00 179.01 179.54 1hva h GLN 222 N 0.24 0.57 -0.54 2.33 4.20 -0.50 -3.11 115.11 118.30 1hva h GLN 222 Ca 0.01 -0.79 -0.05 0.00 0.06 0.00 0.00 58.65 57.87 1hva h GLN 222 Cb 0.99 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1hva h GLN 222 CO 0.08 1.36 0.13 -0.24 -0.67 0.00 0.00 178.83 179.49 1hva h VAL 223 N 0.17 1.25 -0.92 -0.54 3.04 -1.29 -2.55 116.25 115.40 1hva h VAL 223 Ca -0.18 -0.88 0.27 0.00 -1.01 0.00 0.00 66.70 64.89 1hva h VAL 223 Cb 1.87 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.89 1hva h VAL 223 CO 0.23 0.32 0.66 -0.07 -1.01 0.00 0.00 177.57 177.70 1hva h LEU 224 N 0.77 0.00 -1.16 3.16 3.38 -0.86 -1.86 115.31 118.74 1hva h LEU 224 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1hva h LEU 224 Cb 0.34 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1hva h LEU 224 CO 0.00 0.00 -0.16 0.11 0.09 0.00 0.00 178.44 178.48 1hva h LYS 225 N 0.00 0.39 0.00 1.13 1.79 -1.38 -2.21 116.57 116.29 1hva h LYS 225 Ca 0.44 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1hva h LYS 225 Cb 1.76 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1hva h LYS 225 CO -0.01 0.55 -0.10 0.74 -1.08 0.00 0.00 179.45 179.55 1hva h PHE 226 N 0.36 0.00 -0.00 -1.35 0.04 -1.46 -1.96 116.94 112.56 1hva h PHE 226 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1hva h PHE 226 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1hva h PHE 226 CO 0.01 0.10 -0.19 0.54 -0.60 0.00 0.00 178.31 178.18 1hva n ARG 227 N -4.09 0.60 0.03 1.51 1.74 -0.83 -3.45 116.66 112.17 1hva n ARG 227 Ca -0.02 -0.26 0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1hva n ARG 227 Cb 0.19 -1.49 0.38 0.00 -1.02 0.00 0.00 32.46 30.51 1hva n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hva n LYS 228 N -0.98 0.12 -1.52 5.56 5.02 -0.74 -4.70 118.16 120.93 1hva n LYS 228 Ca 0.12 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 1hva n LYS 228 Cb 0.31 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1hva n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hva s LEU 229 N -3.57 3.09 -0.02 -0.35 1.43 -1.22 -4.88 118.68 113.15 1hva s LEU 229 Ca 0.11 1.64 0.06 0.00 -1.03 0.00 0.00 54.13 54.90 1hva s LEU 229 Cb 0.16 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 1hva s LEU 229 CO 0.63 -1.57 -0.20 0.20 0.23 0.00 0.00 176.35 175.64 1hva s ASN 230 N -3.73 2.39 0.21 2.29 0.02 0.25 -0.45 114.94 115.91 1hva s ASN 230 Ca 0.59 -0.38 -0.08 0.00 -1.02 0.00 0.00 52.86 51.97 1hva s ASN 230 Cb -0.15 -0.38 0.14 0.00 0.02 0.00 0.00 41.25 40.88 1hva s ASN 230 CO 0.55 0.23 1.75 -0.26 0.02 0.00 0.00 177.10 179.39 1hva h PHE 231 N 5.80 1.19 -4.17 2.20 0.04 -0.39 -3.23 116.94 118.39 1hva h PHE 231 Ca -0.37 -0.11 -0.50 0.00 2.80 0.00 0.00 57.97 59.80 1hva h PHE 231 Cb 1.15 -0.35 0.07 0.00 2.20 0.00 0.00 35.95 39.02 1hva h PHE 231 CO 0.41 0.93 0.38 0.54 -0.60 0.00 0.00 178.31 179.97 1hva s ASN 232 N -6.37 5.63 0.72 2.17 4.22 -1.23 -4.05 114.94 116.04 1hva s ASN 232 Ca -0.12 1.92 -0.04 0.00 -2.14 0.00 0.00 52.86 52.48 1hva s ASN 232 Cb 0.15 -2.55 0.10 0.00 1.28 0.00 0.00 41.25 40.24 1hva s ASN 232 CO 0.84 -1.27 1.00 -0.83 -2.04 0.00 0.00 177.10 174.80 1hva s GLY 233 N -2.52 1.76 -0.14 0.45 0.00 -1.26 -0.30 107.32 105.30 1hva s GLY 233 Ca 0.66 -1.36 -0.40 0.00 0.00 0.00 0.00 44.72 43.63 1hva s GLY 233 CO 0.35 -0.86 1.47 -2.21 0.00 0.00 0.00 173.10 171.86 1hva n GLU 234 N -2.90 0.80 0.00 2.90 2.13 -1.26 -3.26 120.64 119.06 1hva n GLU 234 Ca 0.12 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1hva n GLU 234 Cb 0.60 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1hva n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hva n GLY 235 N 3.15 2.06 3.30 8.31 0.00 -1.26 -5.02 105.19 115.72 1hva n GLY 235 Ca 0.23 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1hva n GLY 235 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hva n GLU 236 N 0.00 0.08 -1.66 1.61 0.00 -1.20 -4.87 120.64 114.60 1hva n GLU 236 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 57.16 56.78 1hva n GLU 236 Cb 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 31.44 29.97 1hva n GLU 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1hva n PRO 237 N 0.39 1.83 -1.56 3.44 -0.04 -1.26 -4.79 135.00 133.00 1hva n PRO 237 Ca 0.06 0.64 -0.40 0.00 -0.04 0.00 0.00 63.50 63.76 1hva n PRO 237 Cb 0.51 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1hva n PRO 237 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1hva n GLU 238 N 0.58 1.33 -3.62 0.54 2.13 -1.26 -4.81 120.64 115.53 1hva n GLU 238 Ca 0.07 0.21 -0.40 0.00 0.66 0.00 0.00 57.16 57.70 1hva n GLU 238 Cb 0.35 -3.22 -0.11 0.00 0.27 0.00 0.00 31.44 28.73 1hva n GLU 238 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1hva s GLU 239 N 7.48 2.65 0.30 5.31 2.02 -1.26 -5.03 118.70 130.16 1hva s GLU 239 Ca 1.02 -1.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1hva s GLU 239 Cb -0.33 -3.73 -0.11 0.00 0.10 0.00 0.00 34.13 30.07 1hva s GLU 239 CO 0.32 -0.86 1.45 -0.51 0.02 0.00 0.00 175.26 175.68 1hva s LEU 240 N 1.45 4.37 -0.70 1.80 2.01 -1.26 0.30 118.68 126.66 1hva s LEU 240 Ca 0.02 2.80 -0.21 0.00 0.01 0.00 0.00 54.13 56.75 1hva s LEU 240 Cb -0.22 -3.64 0.09 0.00 0.01 0.00 0.00 46.19 42.44 1hva s LEU 240 CO 0.03 -0.74 0.94 -0.32 1.01 0.00 0.00 176.35 177.27 1hva s MET 241 N -0.99 3.19 0.05 1.70 -2.45 0.40 -4.52 119.30 116.68 1hva s MET 241 Ca 0.57 -1.13 -0.08 0.00 -1.25 0.00 0.00 55.69 53.79 1hva s MET 241 Cb -0.43 -4.37 -0.00 0.00 1.25 0.00 0.00 34.83 31.28 1hva s MET 241 CO 0.50 -1.75 0.17 0.14 1.05 0.00 0.00 175.02 175.13 1hva s VAL 242 N 3.47 0.12 -1.02 10.11 -7.23 -1.26 -4.65 120.40 119.94 1hva s VAL 242 Ca 0.22 -0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 59.31 1hva s VAL 242 Cb -0.16 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1hva s VAL 242 CO 0.05 -0.54 0.84 0.47 -0.31 0.00 0.00 175.10 175.61 1hva n ASP 243 N 0.61 -6.41 -3.57 4.85 8.00 -0.34 -4.87 116.55 114.82 1hva n ASP 243 Ca -0.18 -0.71 -0.40 0.00 0.71 0.00 0.00 54.79 54.21 1hva n ASP 243 Cb 0.59 -4.60 0.01 0.00 -0.02 0.00 0.00 41.12 37.11 1hva n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1hva n ASN 244 N -2.83 7.12 -3.90 -2.24 6.94 -1.09 -4.92 115.26 114.33 1hva n ASN 244 Ca -0.07 -3.69 -0.16 0.00 -0.02 0.00 0.00 54.58 50.64 1hva n ASN 244 Cb 0.60 -1.11 -0.15 0.00 -2.36 0.00 0.00 39.78 36.75 1hva n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1hva s TRP 245 N -4.26 0.38 0.11 -2.53 1.48 -1.26 -4.66 118.94 108.19 1hva s TRP 245 Ca 0.40 -0.06 -0.30 0.00 -1.06 0.00 0.00 56.10 55.08 1hva s TRP 245 Cb 0.20 -0.31 -0.06 0.00 -1.16 0.00 0.00 33.47 32.14 1hva s TRP 245 CO -0.13 -0.05 0.99 0.50 -4.06 0.00 0.00 176.95 174.20 1hva s ARG 246 N 0.27 4.66 0.65 3.25 3.52 -1.26 -4.97 118.95 125.07 1hva s ARG 246 Ca -0.03 1.50 -0.17 0.00 -0.13 0.00 0.00 55.73 56.90 1hva s ARG 246 Cb -0.06 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1hva s ARG 246 CO -0.01 0.15 1.25 -1.25 -0.81 0.00 0.00 175.30 174.64 1hva s PRO 247 N 0.06 2.56 0.37 5.12 0.04 -1.26 -4.61 135.00 137.27 1hva s PRO 247 Ca 0.48 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 63.17 1hva s PRO 247 Cb -0.24 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1hva s PRO 247 CO 0.30 -1.56 1.45 0.00 0.04 0.00 0.00 177.00 177.24 1hva n ALA 248 N -2.02 2.15 -2.57 8.56 0.00 -1.26 -4.49 120.51 120.87 1hva n ALA 248 Ca 0.15 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.70 1hva n ALA 248 Cb 0.49 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 1hva n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hva s GLN 249 N -2.01 2.25 -0.05 0.00 -1.52 0.22 -4.93 119.66 113.61 1hva s GLN 249 Ca 0.54 -1.55 -0.35 0.00 -1.95 0.00 0.00 55.36 52.05 1hva s GLN 249 Cb -0.50 -2.10 -0.13 0.00 -0.22 0.00 0.00 33.01 30.06 1hva s GLN 249 CO 0.63 0.23 1.75 -2.30 -0.25 0.00 0.00 175.29 175.35 1hva n PRO 250 N -0.98 1.91 -0.10 2.91 -0.02 -1.26 -4.59 135.00 132.87 1hva n PRO 250 Ca -0.05 0.70 -0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1hva n PRO 250 Cb 0.61 -2.48 0.27 0.00 -0.02 0.00 0.00 33.50 31.87 1hva n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hva h LEU 251 N 7.79 0.69 -0.98 2.45 5.85 -1.94 -3.43 115.31 125.74 1hva h LEU 251 Ca -0.47 -0.07 -0.31 0.00 0.84 0.00 0.00 57.88 57.87 1hva h LEU 251 Cb 1.28 -0.18 0.11 0.00 0.37 0.00 0.00 40.66 42.25 1hva h LEU 251 CO 0.92 0.61 -0.54 0.29 -0.34 0.00 0.00 178.44 179.39 1hva n LYS 252 N -4.35 -6.11 0.00 1.25 4.01 -1.26 -3.36 118.16 108.34 1hva n LYS 252 Ca 0.04 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 1hva n LYS 252 Cb 0.15 -5.13 0.00 0.00 -0.51 0.00 0.00 35.03 29.53 1hva n LYS 252 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1hva n ASN 253 N -2.09 0.00 0.00 4.39 6.94 -1.26 -4.97 115.26 118.28 1hva n ASN 253 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1hva n ASN 253 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1hva n ASN 253 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1hva n ARG 254 N 0.00 0.00 -5.25 -3.83 0.63 -1.21 -4.93 116.66 102.06 1hva n ARG 254 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1hva n ARG 254 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 1hva n ARG 254 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1hva s GLN 255 N 0.00 2.26 -0.28 -0.14 0.74 -1.26 -5.03 119.66 115.95 1hva s GLN 255 Ca 0.00 -0.90 -0.19 0.00 0.05 0.00 0.00 55.36 54.32 1hva s GLN 255 Cb 0.00 -2.11 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 1hva s GLN 255 CO 0.00 0.53 0.58 0.42 -0.55 0.00 0.00 175.29 176.26 1hva s ILE 256 N -0.52 5.00 0.31 -2.34 1.01 -1.26 -4.69 121.20 118.71 1hva s ILE 256 Ca 0.07 0.90 -0.00 0.00 0.00 0.00 0.00 60.65 61.62 1hva s ILE 256 Cb -0.11 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1hva s ILE 256 CO 0.00 -0.02 0.51 -0.54 0.00 0.00 0.00 174.94 174.90 1hva s LYS 257 N 2.45 3.51 -0.03 2.79 -0.14 -0.99 -0.13 119.74 127.21 1hva s LYS 257 Ca 0.23 -0.31 0.04 0.00 -1.36 0.00 0.00 55.97 54.58 1hva s LYS 257 Cb -0.15 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 1hva s LYS 257 CO 0.10 0.22 -0.15 0.00 -0.76 0.00 0.00 175.35 174.76 1hva s ALA 258 N -2.18 1.28 0.20 5.17 0.00 0.19 -1.97 121.76 124.45 1hva s ALA 258 Ca 0.40 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1hva s ALA 258 Cb -0.10 -0.39 0.12 0.00 0.00 0.00 0.00 23.12 22.75 1hva s ALA 258 CO 0.33 0.26 1.73 0.66 0.00 0.00 0.00 175.76 178.75 1hva h SER 259 N 6.07 1.03 -0.03 0.00 4.64 -1.60 -1.25 113.55 122.41 1hva h SER 259 Ca -0.34 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1hva h SER 259 Cb 1.17 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1hva h SER 259 CO 0.48 0.96 0.00 2.22 -0.87 0.00 0.00 176.83 179.63