#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hca n GLY 6 N 0.00 1.25 0.06 -1.67 0.00 -0.77 -5.02 105.19 99.04 1hca n GLY 6 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1hca n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hca n TYR 7 N 0.00 0.00 -1.96 1.61 4.01 -1.26 -3.97 117.16 115.59 1hca n TYR 7 Ca 0.00 -0.29 -0.29 0.00 -0.16 0.00 0.00 57.90 57.16 1hca n TYR 7 Cb 0.00 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 1hca n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1hca s GLY 8 N -0.78 1.74 0.29 2.72 0.00 -1.26 -4.68 107.32 105.34 1hca s GLY 8 Ca 0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 1hca s GLY 8 CO 0.00 -0.41 1.93 1.70 0.00 0.00 0.00 173.10 176.33 1hca h LYS 9 N -1.44 1.11 -0.10 2.90 1.63 -1.97 0.29 116.57 118.99 1hca h LYS 9 Ca -0.44 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1hca h LYS 9 Cb 1.26 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1hca h LYS 9 CO 0.45 0.73 0.00 0.72 -3.45 0.00 0.00 179.45 177.90 1hca n HIS 10 N -4.44 0.11 -0.89 1.91 8.25 -1.26 -4.45 115.22 114.45 1hca n HIS 10 Ca 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1hca n HIS 10 Cb 0.11 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1hca n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1hca n ASN 11 N 1.01 0.17 -4.12 0.41 6.94 -1.19 -4.96 115.26 113.52 1hca n ASN 11 Ca 0.11 -1.06 -0.29 0.00 -0.02 0.00 0.00 54.58 53.33 1hca n ASN 11 Cb 0.45 0.00 0.23 0.00 -2.36 0.00 0.00 39.78 38.10 1hca n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hca n GLY 12 N -0.03 -2.60 0.46 4.83 0.00 0.10 -1.86 105.19 106.09 1hca n GLY 12 Ca 0.00 -1.10 0.26 0.00 0.00 0.00 0.00 46.02 45.18 1hca n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hca h PRO 13 N -2.67 0.00 0.00 1.61 0.11 -1.84 0.21 132.00 129.42 1hca h PRO 13 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1hca h PRO 13 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1hca h PRO 13 CO 0.38 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.32 1hca n GLU 14 N -3.83 0.04 -0.00 1.05 0.00 -1.26 -2.66 120.64 113.97 1hca n GLU 14 Ca 0.16 0.19 0.04 0.00 0.00 0.00 0.00 57.16 57.55 1hca n GLU 14 Cb 0.97 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.85 1hca n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1hca n HIS 15 N -1.46 0.00 -0.00 -1.84 8.25 0.06 -4.67 115.22 115.56 1hca n HIS 15 Ca 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.67 1hca n HIS 15 Cb 0.19 -0.03 0.63 0.00 1.12 0.00 0.00 29.99 31.90 1hca n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1hca h TRP 16 N 0.00 0.14 -0.75 4.41 6.55 -1.50 -2.59 115.95 122.21 1hca h TRP 16 Ca 0.00 0.00 0.18 0.00 0.95 0.00 0.00 58.89 60.02 1hca h TRP 16 Cb 0.24 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.46 1hca h TRP 16 CO 0.00 0.06 0.51 1.12 -1.05 0.00 0.00 178.44 179.09 1hca h HIS 17 N 0.13 0.28 0.00 0.49 2.07 -1.79 0.24 115.15 116.56 1hca h HIS 17 Ca 0.24 0.01 -0.08 0.00 -2.85 0.00 0.00 60.37 57.68 1hca h HIS 17 Cb 0.77 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.65 1hca h HIS 17 CO -0.00 0.09 -0.39 0.87 -3.07 0.00 0.00 177.93 175.43 1hca h LYS 18 N 0.23 0.00 0.00 5.12 1.57 -1.83 -2.58 116.57 119.07 1hca h LYS 18 Ca 0.37 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.81 1hca h LYS 18 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 1hca h LYS 18 CO -0.08 0.39 -2.26 -0.25 -0.57 0.00 0.00 179.45 176.67 1hca n ASP 19 N -3.87 0.83 -3.72 0.86 8.00 -0.87 -4.75 116.55 113.03 1hca n ASP 19 Ca -0.01 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.17 1hca n ASP 19 Cb 0.45 0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 42.12 1hca n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1hca s PHE 20 N -2.45 2.29 -1.06 1.24 0.40 0.02 -4.96 117.98 113.45 1hca s PHE 20 Ca -0.13 -2.68 0.00 0.00 -0.60 0.00 0.00 56.93 53.52 1hca s PHE 20 Cb 0.06 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.62 1hca s PHE 20 CO 0.71 -0.73 0.98 -0.35 0.70 0.00 0.00 175.22 176.52 1hca n PRO 21 N 3.03 0.00 0.10 0.24 -0.04 -0.98 -1.44 135.00 135.92 1hca n PRO 21 Ca 0.14 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1hca n PRO 21 Cb 0.37 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.78 1hca n PRO 21 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1hca n ILE 22 N -1.47 0.70 -0.11 0.52 3.06 -1.26 -2.95 119.36 117.85 1hca n ILE 22 Ca 0.00 0.02 0.27 0.00 -2.50 0.00 0.00 62.75 60.55 1hca n ILE 22 Cb 0.00 -0.89 0.71 0.00 0.54 0.00 0.00 39.64 40.00 1hca n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hca h ALA 23 N 2.42 2.65 -0.38 1.51 0.00 -1.58 0.54 119.26 124.43 1hca h ALA 23 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hca h ALA 23 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1hca h ALA 23 CO 0.00 -1.09 0.00 1.63 0.00 0.00 0.00 179.25 179.79 1hca n LYS 24 N -3.92 3.57 -0.06 0.00 5.02 -1.15 -4.96 118.16 116.66 1hca n LYS 24 Ca 0.16 -2.91 -0.02 0.00 -2.02 0.00 0.00 58.31 53.52 1hca n LYS 24 Cb 0.96 -1.95 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1hca n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hca n GLY 25 N -0.03 -2.99 0.08 0.72 0.00 0.19 -5.02 105.19 98.14 1hca n GLY 25 Ca 0.23 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 1hca n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hca h GLU 26 N 0.00 0.00 -2.07 1.61 4.39 -1.95 -3.42 114.58 113.15 1hca h GLU 26 Ca -0.03 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.14 1hca h GLU 26 Cb 0.11 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.35 1hca h GLU 26 CO 0.02 0.54 -1.03 2.89 -1.16 0.00 0.00 179.01 180.26 1hca n ARG 27 N -3.07 1.44 -3.26 2.33 1.85 -1.26 -4.80 116.66 109.89 1hca n ARG 27 Ca -0.13 -3.71 -0.33 0.00 -1.00 0.00 0.00 57.85 52.68 1hca n ARG 27 Cb 0.99 -1.74 -0.06 0.00 -1.05 0.00 0.00 32.46 30.61 1hca n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1hca s GLN 28 N -2.36 3.94 0.28 2.89 -1.52 -1.26 -2.41 119.66 119.22 1hca s GLN 28 Ca 0.41 0.52 0.11 0.00 -1.95 0.00 0.00 55.36 54.44 1hca s GLN 28 Cb 0.28 -2.58 -0.05 0.00 -0.22 0.00 0.00 33.01 30.44 1hca s GLN 28 CO -0.09 0.26 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.90 1hca s SER 29 N -2.22 3.51 0.74 5.90 0.01 -1.26 -4.68 113.70 115.70 1hca s SER 29 Ca 0.50 -1.05 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1hca s SER 29 Cb -0.11 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.84 1hca s SER 29 CO 0.19 -0.01 0.11 -0.81 0.41 0.00 0.00 173.24 173.13 1hca n PRO 30 N -0.62 0.18 -4.16 12.44 -0.04 -1.26 -4.65 135.00 136.89 1hca n PRO 30 Ca -0.05 -0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.04 1hca n PRO 30 Cb 0.60 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1hca n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1hca s VAL 31 N -0.74 0.00 -0.13 0.52 -7.23 -1.26 -0.15 120.40 111.41 1hca s VAL 31 Ca 0.06 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1hca s VAL 31 Cb -0.00 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1hca s VAL 31 CO 0.04 0.00 0.22 -0.62 -0.31 0.00 0.00 175.10 174.43 1hca s ASP 32 N -3.26 6.43 -0.45 4.85 2.15 -1.26 -2.47 116.67 122.66 1hca s ASP 32 Ca 0.34 0.50 -0.13 0.00 0.43 0.00 0.00 52.55 53.70 1hca s ASP 32 Cb 0.01 -2.13 0.07 0.00 -0.30 0.00 0.00 42.92 40.58 1hca s ASP 32 CO 0.21 0.26 0.34 -0.63 -0.17 0.00 0.00 175.17 175.18 1hca s ILE 33 N -0.32 4.84 -0.56 4.11 1.01 0.00 -4.95 121.20 125.32 1hca s ILE 33 Ca 0.15 -1.19 -0.26 0.00 0.00 0.00 0.00 60.65 59.35 1hca s ILE 33 Cb -0.13 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.47 1hca s ILE 33 CO 0.04 -0.54 1.07 -0.62 0.00 0.00 0.00 174.94 174.89 1hca s ASP 34 N 2.40 6.40 0.35 3.58 -1.08 -1.26 -1.31 116.67 125.74 1hca s ASP 34 Ca 0.04 -0.10 0.13 0.00 -0.52 0.00 0.00 52.55 52.09 1hca s ASP 34 Cb -0.24 -2.50 0.64 0.00 -1.46 0.00 0.00 42.92 39.37 1hca s ASP 34 CO 0.05 -1.35 1.77 0.71 0.52 0.00 0.00 175.17 176.87 1hca h THR 35 N 6.09 1.28 0.00 1.71 1.35 -1.94 0.22 112.91 121.63 1hca h THR 35 Ca -0.25 -1.49 -0.19 0.00 -0.55 0.00 0.00 66.41 63.93 1hca h THR 35 Cb 1.06 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.26 1hca h THR 35 CO 1.14 0.42 -0.91 0.45 -0.25 0.00 0.00 175.52 176.37 1hca h HIS 36 N 0.00 0.00 0.03 4.73 3.86 -2.03 -3.29 115.15 118.45 1hca h HIS 36 Ca -0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1hca h HIS 36 Cb 0.77 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.21 1hca h HIS 36 CO 0.00 0.89 -1.42 1.15 0.86 0.00 0.00 177.93 179.41 1hca h THR 37 N 0.00 1.23 -3.65 2.45 2.02 -1.92 -3.47 112.91 109.57 1hca h THR 37 Ca -0.02 -2.98 -0.55 0.00 0.77 0.00 0.00 66.41 63.63 1hca h THR 37 Cb 1.69 2.65 0.11 0.00 -1.74 0.00 0.00 68.15 70.86 1hca h THR 37 CO 0.11 0.75 0.66 0.00 0.37 0.00 0.00 175.52 177.41 1hca n ALA 38 N -2.51 1.91 -2.57 6.16 0.00 0.77 -4.88 120.51 119.39 1hca n ALA 38 Ca -0.11 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1hca n ALA 38 Cb 1.01 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 1hca n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1hca s LYS 39 N -2.00 3.79 -0.28 0.00 2.36 0.11 -4.85 119.74 118.87 1hca s LYS 39 Ca 0.54 -0.31 -0.29 0.00 -2.55 0.00 0.00 55.97 53.36 1hca s LYS 39 Cb -0.52 -3.72 -0.02 0.00 -1.05 0.00 0.00 37.83 32.53 1hca s LYS 39 CO 0.63 -0.33 1.61 -0.47 1.55 0.00 0.00 175.35 178.34 1hca s TYR 40 N 1.89 2.11 -0.30 4.03 5.04 -1.26 0.10 117.35 128.96 1hca s TYR 40 Ca 0.10 0.61 -0.08 0.00 -2.44 0.00 0.00 57.07 55.25 1hca s TYR 40 Cb -0.16 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1hca s TYR 40 CO 0.11 -2.71 0.11 0.34 -1.34 0.00 0.00 175.55 172.05 1hca s ASP 41 N 4.56 5.30 0.00 4.32 2.15 -0.28 -4.89 116.67 127.82 1hca s ASP 41 Ca 0.71 -0.64 0.29 0.00 0.43 0.00 0.00 52.55 53.34 1hca s ASP 41 Cb -0.22 -1.93 1.26 0.00 -0.30 0.00 0.00 42.92 41.73 1hca s ASP 41 CO 0.30 -0.20 1.91 -0.81 -0.17 0.00 0.00 175.17 176.20 1hca n PRO 42 N 4.91 0.28 -0.15 4.34 -0.04 -1.26 -3.54 135.00 139.54 1hca n PRO 42 Ca -0.14 -0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.33 1hca n PRO 42 Cb 0.48 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.61 1hca n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hca n SER 43 N -1.32 1.68 -4.65 3.54 3.41 -1.26 -4.83 113.62 110.19 1hca n SER 43 Ca 0.11 -1.97 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 1hca n SER 43 Cb 0.29 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1hca n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hca s LEU 44 N -1.05 4.11 0.59 1.04 1.02 -1.23 -5.04 118.68 118.12 1hca s LEU 44 Ca 0.22 0.56 -0.09 0.00 0.02 0.00 0.00 54.13 54.84 1hca s LEU 44 Cb 0.12 -2.63 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1hca s LEU 44 CO 0.15 -0.19 0.97 -0.54 0.02 0.00 0.00 176.35 176.76 1hca s LYS 45 N 1.80 3.52 0.58 1.70 1.02 -1.26 -5.01 119.74 122.10 1hca s LYS 45 Ca 0.21 0.57 -0.17 0.00 0.02 0.00 0.00 55.97 56.60 1hca s LYS 45 Cb -0.15 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1hca s LYS 45 CO 0.09 -0.51 1.08 -2.14 -0.92 0.00 0.00 175.35 172.95 1hca s PRO 46 N -5.07 3.26 0.50 -1.68 0.02 -1.26 -3.21 135.00 127.55 1hca s PRO 46 Ca 0.53 1.37 -0.22 0.00 0.02 0.00 0.00 61.00 62.70 1hca s PRO 46 Cb -0.11 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 1hca s PRO 46 CO 0.51 -0.88 1.25 -0.51 -0.33 0.00 0.00 177.00 177.04 1hca s LEU 47 N -4.29 3.94 -0.32 -5.54 1.43 -1.26 -2.79 118.68 109.85 1hca s LEU 47 Ca 0.67 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 56.29 1hca s LEU 47 Cb -0.19 -4.26 0.10 0.00 0.03 0.00 0.00 46.19 41.87 1hca s LEU 47 CO 0.33 -1.20 0.08 -0.55 0.23 0.00 0.00 176.35 175.24 1hca s SER 48 N -1.19 4.32 -0.44 2.29 0.15 -0.28 -4.91 113.70 113.65 1hca s SER 48 Ca 0.67 -1.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.34 1hca s SER 48 Cb -0.34 -1.17 0.07 0.00 -1.71 0.00 0.00 66.02 62.87 1hca s SER 48 CO 0.40 -0.40 0.31 -0.69 1.20 0.00 0.00 173.24 174.07 1hca s VAL 49 N 1.32 4.72 -0.67 4.45 1.01 -1.26 -1.24 120.40 128.72 1hca s VAL 49 Ca 0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1hca s VAL 49 Cb -0.18 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.54 1hca s VAL 49 CO -0.18 -0.50 0.49 -0.44 0.00 0.00 0.00 175.10 174.46 1hca s SER 50 N 2.25 5.19 0.00 3.32 0.01 0.13 -4.86 113.70 119.74 1hca s SER 50 Ca 0.03 -3.18 0.09 0.00 1.31 0.00 0.00 55.95 54.20 1hca s SER 50 Cb -0.23 -1.81 0.25 0.00 0.21 0.00 0.00 66.02 64.44 1hca s SER 50 CO 0.05 -0.27 1.20 -1.22 0.41 0.00 0.00 173.24 173.40 1hca n TYR 51 N 3.01 0.37 -0.11 2.43 4.01 -1.26 -0.43 117.16 125.18 1hca n TYR 51 Ca 0.12 -0.49 0.07 0.00 -0.16 0.00 0.00 57.90 57.43 1hca n TYR 51 Cb 0.36 -0.03 0.40 0.00 -0.31 0.00 0.00 39.34 39.76 1hca n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1hca h ASP 52 N 1.65 0.55 -0.59 7.72 2.03 -1.89 -2.70 116.42 123.20 1hca h ASP 52 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hca h ASP 52 Cb 0.68 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1hca h ASP 52 CO 0.00 0.37 0.00 1.67 -1.03 0.00 0.00 179.24 180.25 1hca n GLN 53 N -4.47 4.25 -1.95 4.15 -0.06 -1.24 -5.02 117.38 113.03 1hca n GLN 53 Ca 0.08 -3.02 -0.39 0.00 -2.00 0.00 0.00 57.00 51.68 1hca n GLN 53 Cb 0.20 -2.06 0.01 0.00 -4.06 0.00 0.00 30.24 24.33 1hca n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1hca s ALA 54 N -2.34 3.04 -0.28 1.69 0.00 -1.02 -4.58 121.76 118.27 1hca s ALA 54 Ca 0.52 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.73 1hca s ALA 54 Cb 0.37 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 20.06 1hca s ALA 54 CO 0.19 -1.06 0.04 0.99 0.00 0.00 0.00 175.76 175.93 1hca s THR 55 N -1.32 1.19 0.25 0.00 2.01 -1.26 -4.88 115.64 111.63 1hca s THR 55 Ca 0.64 -1.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 1hca s THR 55 Cb -0.38 -1.75 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 1hca s THR 55 CO 0.47 -0.45 0.73 -0.94 -0.69 0.00 0.00 174.62 173.74 1hca s SER 56 N 1.49 6.99 -0.09 3.53 1.04 -1.26 -1.42 113.70 123.98 1hca s SER 56 Ca 0.04 1.39 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 1hca s SER 56 Cb -0.18 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1hca s SER 56 CO -0.15 -0.02 -0.14 0.18 0.98 0.00 0.00 173.24 174.08 1hca n LEU 57 N 0.47 0.85 -3.80 2.42 4.77 0.17 -3.79 117.00 118.09 1hca n LEU 57 Ca -0.01 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1hca n LEU 57 Cb 0.52 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1hca n LEU 57 CO 0.43 0.11 0.69 0.00 -1.33 0.00 0.00 177.39 177.29 1hca s ARG 58 N -2.22 1.40 -0.08 3.23 1.04 -1.19 -0.60 118.95 120.54 1hca s ARG 58 Ca -0.14 -0.83 0.02 0.00 -1.04 0.00 0.00 55.73 53.74 1hca s ARG 58 Cb 0.05 0.45 0.01 0.00 -2.04 0.00 0.00 34.95 33.42 1hca s ARG 58 CO 0.19 -0.65 -0.14 -1.50 -0.04 0.00 0.00 175.30 173.15 1hca s ILE 59 N -2.99 1.32 0.06 4.99 2.07 -0.59 0.28 121.20 126.33 1hca s ILE 59 Ca 0.15 -0.57 0.05 0.00 -1.41 0.00 0.00 60.65 58.86 1hca s ILE 59 Cb -0.03 -1.19 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 1hca s ILE 59 CO 0.05 0.40 -0.15 -0.22 -1.91 0.00 0.00 174.94 173.11 1hca s LEU 60 N 0.70 2.23 -0.40 8.50 2.96 0.03 -0.29 118.68 132.41 1hca s LEU 60 Ca -0.13 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 1hca s LEU 60 Cb -0.16 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 45.97 1hca s LEU 60 CO 0.03 -0.02 0.26 0.21 -1.32 0.00 0.00 176.35 175.52 1hca s ASN 61 N -1.48 5.95 0.00 3.68 3.84 0.22 -1.11 114.94 126.04 1hca s ASN 61 Ca 0.00 -0.97 0.25 0.00 0.21 0.00 0.00 52.86 52.36 1hca s ASN 61 Cb -0.09 -2.10 0.52 0.00 -0.55 0.00 0.00 41.25 39.03 1hca s ASN 61 CO 0.02 -0.43 1.44 -0.46 -2.79 0.00 0.00 177.10 174.87 1hca n ASN 62 N 5.09 2.19 0.00 -4.21 0.23 -0.33 -0.90 115.26 117.33 1hca n ASN 62 Ca -0.11 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 1hca n ASN 62 Cb 0.46 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1hca n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hca n GLY 63 N 1.30 0.51 0.00 4.83 0.00 -1.26 -4.78 105.19 105.79 1hca n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1hca n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hca n HIS 64 N -2.00 0.00 -0.79 1.61 8.25 -1.26 -4.67 115.22 116.35 1hca n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1hca n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1hca n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hca n ALA 65 N -1.34 0.00 -2.79 -1.41 0.00 -1.26 -4.87 120.51 108.83 1hca n ALA 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1hca n ALA 65 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1hca n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hca s PHE 66 N -2.25 2.69 -0.06 0.00 -0.12 -1.26 -1.19 117.98 115.80 1hca s PHE 66 Ca 0.00 -0.49 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 1hca s PHE 66 Cb 0.00 -1.71 -0.02 0.00 -0.63 0.00 0.00 43.02 40.66 1hca s PHE 66 CO 0.00 -0.07 -0.18 -0.80 -0.05 0.00 0.00 175.22 174.12 1hca s ASN 67 N -0.15 3.67 -0.33 1.98 0.02 -0.27 -4.18 114.94 115.68 1hca s ASN 67 Ca -0.01 -0.33 -0.10 0.00 -1.02 0.00 0.00 52.86 51.40 1hca s ASN 67 Cb -0.14 -0.90 0.01 0.00 0.02 0.00 0.00 41.25 40.24 1hca s ASN 67 CO 0.03 0.29 0.16 -0.69 0.02 0.00 0.00 177.10 176.91 1hca s VAL 68 N -0.41 4.47 -0.05 1.60 1.01 -0.83 -0.79 120.40 125.40 1hca s VAL 68 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1hca s VAL 68 Cb -0.12 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1hca s VAL 68 CO 0.02 -0.04 0.32 -1.61 0.00 0.00 0.00 175.10 173.79 1hca s GLU 69 N 1.57 3.81 0.22 2.72 2.02 0.14 -2.48 118.70 126.70 1hca s GLU 69 Ca 0.03 0.23 0.11 0.00 0.02 0.00 0.00 54.97 55.36 1hca s GLU 69 Cb -0.18 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 1hca s GLU 69 CO 0.06 0.67 -0.21 -0.06 0.02 0.00 0.00 175.26 175.75 1hca s PHE 70 N -0.92 2.14 -0.42 1.61 0.40 -0.82 0.42 117.98 120.39 1hca s PHE 70 Ca 0.21 -0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 55.89 1hca s PHE 70 Cb -0.15 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1hca s PHE 70 CO 0.10 0.53 0.93 0.34 0.70 0.00 0.00 175.22 177.82 1hca s ASP 71 N -3.03 6.57 -0.55 1.36 2.15 -0.51 -4.75 116.67 117.92 1hca s ASP 71 Ca 0.23 0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.55 1hca s ASP 71 Cb -0.06 -2.46 0.43 0.00 -0.30 0.00 0.00 42.92 40.53 1hca s ASP 71 CO 0.11 -0.98 1.60 -0.90 -0.17 0.00 0.00 175.17 174.83 1hca n ASP 72 N 7.03 6.27 -0.23 -0.34 5.75 -1.26 -4.51 116.55 129.25 1hca n ASP 72 Ca 0.07 -3.77 0.11 0.00 -0.01 0.00 0.00 54.79 51.19 1hca n ASP 72 Cb 0.48 -0.71 0.11 0.00 -1.03 0.00 0.00 41.12 39.97 1hca n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1hca n SER 73 N -0.69 1.28 -3.67 -1.12 3.41 -1.26 -4.94 113.62 106.64 1hca n SER 73 Ca 0.51 -1.03 -0.11 0.00 -0.26 0.00 0.00 58.87 57.98 1hca n SER 73 Cb 0.66 0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 65.04 1hca n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hca s GLN 74 N -2.69 0.99 -0.97 4.33 -0.21 -1.26 -5.06 119.66 114.79 1hca s GLN 74 Ca 0.16 -0.64 -0.21 0.00 0.02 0.00 0.00 55.36 54.69 1hca s GLN 74 Cb 0.18 0.44 -0.11 0.00 1.00 0.00 0.00 33.01 34.51 1hca s GLN 74 CO 0.65 -0.37 1.95 -0.25 -2.12 0.00 0.00 175.29 175.15 1hca n ASP 75 N 0.01 2.92 -0.11 5.90 9.92 -1.26 -4.51 116.55 129.42 1hca n ASP 75 Ca -0.17 -2.71 -0.24 0.00 -0.53 0.00 0.00 54.79 51.13 1hca n ASP 75 Cb 0.62 -1.35 -0.11 0.00 -0.64 0.00 0.00 41.12 39.64 1hca n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hca n LYS 76 N 7.29 0.60 -3.93 -1.24 5.02 -1.26 -4.84 118.16 119.80 1hca n LYS 76 Ca 0.49 0.41 -0.31 0.00 -2.02 0.00 0.00 58.31 56.88 1hca n LYS 76 Cb 0.42 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 1hca n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hca s ALA 77 N -2.44 2.24 0.19 7.82 0.00 -1.26 -3.69 121.76 124.62 1hca s ALA 77 Ca -0.32 -1.89 0.07 0.00 0.00 0.00 0.00 51.96 49.82 1hca s ALA 77 Cb 0.09 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1hca s ALA 77 CO 0.57 -1.49 -0.14 0.14 0.00 0.00 0.00 175.76 174.85 1hca s VAL 78 N 1.25 1.66 -0.06 0.00 -7.23 0.43 -1.30 120.40 115.15 1hca s VAL 78 Ca 0.04 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 1hca s VAL 78 Cb -0.19 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1hca s VAL 78 CO -0.11 -0.58 -0.12 -0.22 -0.31 0.00 0.00 175.10 173.75 1hca s LEU 79 N -3.20 1.66 0.00 1.32 0.20 -0.05 0.19 118.68 118.81 1hca s LEU 79 Ca 0.20 -0.29 -0.06 0.00 0.69 0.00 0.00 54.13 54.67 1hca s LEU 79 Cb -0.01 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1hca s LEU 79 CO 0.06 0.04 0.58 2.29 -0.29 0.00 0.00 176.35 179.03 1hca n LYS 80 N 3.76 0.83 0.00 1.98 2.85 -0.37 -0.96 118.16 126.24 1hca n LYS 80 Ca -0.22 -2.61 0.00 0.00 -1.05 0.00 0.00 58.31 54.42 1hca n LYS 80 Cb 0.52 2.71 0.00 0.00 -0.65 0.00 0.00 35.03 37.60 1hca n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hca n GLY 81 N -0.56 -1.61 7.00 2.58 0.00 -1.26 -1.13 105.19 110.20 1hca n GLY 81 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1hca n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hca n GLY 82 N 0.00 1.23 0.04 -0.02 0.00 -1.12 -2.67 105.19 102.66 1hca n GLY 82 Ca 0.00 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1hca n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hca n PRO 83 N 12.30 0.10 -2.07 1.61 -0.04 -1.26 -4.03 135.00 141.61 1hca n PRO 83 Ca 0.00 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 1hca n PRO 83 Cb 0.00 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1hca n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hca s LEU 84 N -3.60 3.52 -0.24 1.53 1.43 -1.09 -5.06 118.68 115.17 1hca s LEU 84 Ca 0.11 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1hca s LEU 84 Cb 0.15 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1hca s LEU 84 CO 0.50 -1.17 0.01 -1.81 0.23 0.00 0.00 176.35 174.11 1hca s ASP 85 N -2.69 3.62 0.00 2.29 1.01 -1.26 -4.41 116.67 115.23 1hca s ASP 85 Ca 0.64 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.69 1hca s ASP 85 Cb -0.16 -0.94 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1hca s ASP 85 CO 0.36 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1hca n GLY 86 N 4.81 0.60 3.76 0.21 0.00 -1.26 -5.01 105.19 108.30 1hca n GLY 86 Ca -0.08 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1hca n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hca s THR 87 N -1.07 5.31 -0.13 2.61 2.01 -1.26 -4.50 115.64 118.60 1hca s THR 87 Ca 0.00 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1hca s THR 87 Cb 0.00 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 1hca s THR 87 CO 0.00 0.45 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.89 1hca s TYR 88 N 0.08 2.72 -0.12 4.92 1.51 -0.13 -1.32 117.35 125.00 1hca s TYR 88 Ca 0.16 -1.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.08 1hca s TYR 88 Cb -0.13 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1hca s TYR 88 CO 0.04 -0.43 0.29 1.03 -1.11 0.00 0.00 175.55 175.38 1hca s ARG 89 N 0.61 4.04 0.17 -0.62 0.52 -0.48 -0.87 118.95 122.33 1hca s ARG 89 Ca -0.10 0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 1hca s ARG 89 Cb -0.16 -3.34 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 1hca s ARG 89 CO 0.03 0.43 1.27 -1.17 0.02 0.00 0.00 175.30 175.89 1hca s LEU 90 N -0.13 4.42 0.00 2.53 2.96 -0.42 -1.37 118.68 126.66 1hca s LEU 90 Ca 0.18 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1hca s LEU 90 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1hca s LEU 90 CO 0.06 -0.49 0.00 0.00 -1.32 0.00 0.00 176.35 174.60 1hca n ILE 91 N 2.87 0.00 -3.58 6.68 3.06 -0.79 -4.42 119.36 123.18 1hca n ILE 91 Ca 0.06 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.24 1hca n ILE 91 Cb 0.44 -0.51 -0.02 0.00 0.54 0.00 0.00 39.64 40.09 1hca n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hca s GLN 92 N -1.91 0.98 0.04 9.51 1.03 -1.23 -1.95 119.66 126.13 1hca s GLN 92 Ca 0.00 -0.43 0.01 0.00 0.04 0.00 0.00 55.36 54.98 1hca s GLN 92 Cb 0.00 0.40 -0.03 0.00 0.03 0.00 0.00 33.01 33.42 1hca s GLN 92 CO 0.00 -0.44 -0.05 -0.59 -2.54 0.00 0.00 175.29 171.67 1hca s PHE 93 N -3.22 0.51 0.36 9.60 -0.12 -1.03 -0.80 117.98 123.28 1hca s PHE 93 Ca 0.07 -0.62 -0.13 0.00 -0.05 0.00 0.00 56.93 56.21 1hca s PHE 93 Cb -0.01 -0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1hca s PHE 93 CO -0.05 -0.17 0.69 -3.38 -0.05 0.00 0.00 175.22 172.26 1hca s HIS 94 N -1.92 0.34 0.22 3.49 -3.43 -0.80 -1.97 115.29 111.22 1hca s HIS 94 Ca -0.08 -0.88 0.02 0.00 -0.80 0.00 0.00 55.06 53.32 1hca s HIS 94 Cb -0.06 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 1hca s HIS 94 CO -0.02 -1.42 0.03 -0.06 -2.00 0.00 0.00 174.74 171.28 1hca s PHE 95 N -2.68 1.41 -0.08 0.38 0.40 -1.26 -1.71 117.98 114.44 1hca s PHE 95 Ca 0.19 -1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 55.46 1hca s PHE 95 Cb -0.04 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.70 1hca s PHE 95 CO 0.13 -0.21 -0.01 -1.01 0.70 0.00 0.00 175.22 174.82 1hca s HIS 96 N -3.63 0.77 0.25 0.36 3.76 -0.87 -4.78 115.29 111.16 1hca s HIS 96 Ca 0.30 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1hca s HIS 96 Cb 0.07 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1hca s HIS 96 CO 0.08 -0.35 0.07 1.67 -0.85 0.00 0.00 174.74 175.36 1hca s TRP 97 N 1.91 1.55 0.52 1.40 -2.14 -1.25 -0.60 118.94 120.33 1hca s TRP 97 Ca 0.04 -1.10 0.06 0.00 2.66 0.00 0.00 56.10 57.77 1hca s TRP 97 Cb -0.12 -0.92 0.03 0.00 -3.10 0.00 0.00 33.47 29.36 1hca s TRP 97 CO -0.05 -0.24 0.43 0.20 -2.66 0.00 0.00 176.95 174.63 1hca s GLY 98 N -3.32 2.26 0.09 3.67 0.00 -1.09 -2.25 107.32 106.69 1hca s GLY 98 Ca 0.35 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.62 1hca s GLY 98 CO 0.12 -1.87 1.18 1.48 0.00 0.00 0.00 173.10 174.01 1hca h SER 99 N 0.76 0.07 -1.47 1.64 4.64 -1.91 -3.40 113.55 113.89 1hca h SER 99 Ca -0.37 -0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 1hca h SER 99 Cb 1.29 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 1hca h SER 99 CO 0.56 1.07 -0.55 -0.76 -0.87 0.00 0.00 176.83 176.27 1hca s LEU 100 N -6.71 2.42 0.18 5.97 2.01 -1.26 -5.05 118.68 116.23 1hca s LEU 100 Ca -0.01 -1.54 0.26 0.00 0.01 0.00 0.00 54.13 52.85 1hca s LEU 100 Cb 0.09 -0.66 0.90 0.00 0.01 0.00 0.00 46.19 46.54 1hca s LEU 100 CO 0.83 -0.71 1.78 0.47 1.01 0.00 0.00 176.35 179.73 1hca n ASP 101 N -1.11 0.63 -0.28 2.29 8.00 -1.26 -3.53 116.55 121.28 1hca n ASP 101 Ca -0.11 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.07 1hca n ASP 101 Cb 0.67 -0.74 0.51 0.00 -0.02 0.00 0.00 41.12 41.54 1hca n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hca n GLY 102 N 1.07 -0.35 3.47 0.44 0.00 -1.26 -3.69 105.19 104.86 1hca n GLY 102 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1hca n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hca s GLN 103 N -1.91 1.31 0.00 1.61 -2.07 -1.23 -4.70 119.66 112.67 1hca s GLN 103 Ca 0.33 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 1hca s GLN 103 Cb 0.16 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.64 1hca s GLN 103 CO 0.26 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 1hca n GLY 104 N -0.35 3.81 3.75 2.60 0.00 -1.06 -2.67 105.19 111.28 1hca n GLY 104 Ca -0.14 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1hca n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hca s SER 105 N 0.00 5.06 -0.22 1.61 1.04 -0.69 -3.77 113.70 116.74 1hca s SER 105 Ca 0.00 2.26 -0.18 0.00 0.48 0.00 0.00 55.95 58.50 1hca s SER 105 Cb 0.00 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.39 1hca s SER 105 CO 0.00 -1.67 0.02 -0.62 0.98 0.00 0.00 173.24 171.95 1hca n GLU 106 N -1.95 0.56 -2.93 4.02 1.02 -1.26 -4.83 120.64 115.25 1hca n GLU 106 Ca 0.12 0.49 -0.33 0.00 -0.02 0.00 0.00 57.16 57.43 1hca n GLU 106 Cb 0.50 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1hca n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1hca s HIS 107 N -2.40 3.35 0.18 -0.32 3.76 -1.26 -4.38 115.29 114.22 1hca s HIS 107 Ca -0.29 1.48 0.08 0.00 -0.15 0.00 0.00 55.06 56.17 1hca s HIS 107 Cb 0.07 -2.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 1hca s HIS 107 CO 0.52 -0.02 -0.15 0.95 -0.85 0.00 0.00 174.74 175.18 1hca s THR 108 N -2.08 1.70 -0.25 1.30 -4.23 -1.03 -4.77 115.64 106.27 1hca s THR 108 Ca 0.59 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1hca s THR 108 Cb -0.10 -1.92 0.07 0.00 1.34 0.00 0.00 72.50 71.89 1hca s THR 108 CO 0.15 -0.50 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.00 1hca s VAL 109 N -2.61 1.65 -1.47 2.29 1.01 -0.87 -0.82 120.40 119.58 1hca s VAL 109 Ca 0.19 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.69 1hca s VAL 109 Cb -0.03 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.48 1hca s VAL 109 CO 0.06 -0.16 0.90 0.47 0.00 0.00 0.00 175.10 176.37 1hca n ASP 110 N 4.61 -3.80 0.00 3.32 8.00 -0.43 -0.81 116.55 127.45 1hca n ASP 110 Ca -0.10 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1hca n ASP 110 Cb 0.43 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 1hca n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hca n LYS 111 N -4.58 -0.41 -3.17 -1.24 4.76 -1.26 -5.00 118.16 107.25 1hca n LYS 111 Ca -0.06 0.10 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 1hca n LYS 111 Cb 0.57 -3.48 -0.05 0.00 -1.84 0.00 0.00 35.03 30.22 1hca n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hca s LYS 112 N -0.55 4.35 -0.10 1.97 2.20 0.01 -5.04 119.74 122.59 1hca s LYS 112 Ca 0.00 0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 56.33 1hca s LYS 112 Cb 0.00 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1hca s LYS 112 CO 0.00 0.28 0.01 0.15 -0.36 0.00 0.00 175.35 175.42 1hca s LYS 113 N 0.11 3.11 0.32 4.03 1.02 -1.26 -2.05 119.74 125.02 1hca s LYS 113 Ca 0.32 -0.40 0.07 0.00 0.02 0.00 0.00 55.97 55.97 1hca s LYS 113 Cb -0.18 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1hca s LYS 113 CO 0.17 0.64 0.42 0.71 -0.92 0.00 0.00 175.35 176.37 1hca s TYR 114 N -0.71 3.12 0.26 3.18 1.51 -1.26 -4.66 117.35 118.79 1hca s TYR 114 Ca 0.11 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1hca s TYR 114 Cb -0.12 -1.90 0.34 0.00 -0.11 0.00 0.00 41.96 40.18 1hca s TYR 114 CO 0.02 0.09 1.90 0.00 -1.11 0.00 0.00 175.55 176.45 1hca h ALA 115 N 1.00 1.33 -2.99 3.71 0.00 -1.53 -1.76 119.26 119.03 1hca h ALA 115 Ca -0.46 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1hca h ALA 115 Cb 1.25 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1hca h ALA 115 CO 0.55 0.53 0.21 0.00 0.00 0.00 0.00 179.25 180.54 1hca s ALA 116 N -6.07 -0.91 -0.08 0.00 0.00 -1.04 -2.95 121.76 110.71 1hca s ALA 116 Ca -0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1hca s ALA 116 Cb 0.19 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1hca s ALA 116 CO 0.81 -1.00 0.20 -2.00 0.00 0.00 0.00 175.76 173.77 1hca s GLU 117 N -3.26 0.17 -0.21 0.00 2.12 0.23 -1.49 118.70 116.26 1hca s GLU 117 Ca 0.14 0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.76 1hca s GLU 117 Cb -0.05 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 1hca s GLU 117 CO 0.09 -0.14 0.23 -1.17 -0.54 0.00 0.00 175.26 173.73 1hca s LEU 118 N 0.99 4.17 -0.14 2.70 2.96 0.36 -2.04 118.68 127.67 1hca s LEU 118 Ca -0.07 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1hca s LEU 118 Cb -0.09 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1hca s LEU 118 CO -0.06 0.07 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.86 1hca s HIS 119 N 0.83 2.72 -0.35 5.38 3.76 -0.69 -0.38 115.29 126.55 1hca s HIS 119 Ca 0.12 -1.15 -0.08 0.00 -0.15 0.00 0.00 55.06 53.81 1hca s HIS 119 Cb -0.13 -1.84 0.04 0.00 1.11 0.00 0.00 32.58 31.76 1hca s HIS 119 CO 0.04 -0.51 0.14 -0.51 -0.85 0.00 0.00 174.74 173.04 1hca s LEU 120 N 0.76 4.47 -0.08 0.89 1.43 -0.72 -1.90 118.68 123.52 1hca s LEU 120 Ca -0.07 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 51.74 1hca s LEU 120 Cb -0.16 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1hca s LEU 120 CO 0.00 -0.35 0.39 -0.69 0.23 0.00 0.00 176.35 175.93 1hca s VAL 121 N 1.44 5.16 0.05 -1.59 1.01 0.02 -0.75 120.40 125.73 1hca s VAL 121 Ca -0.01 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1hca s VAL 121 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1hca s VAL 121 CO 0.04 0.46 -0.08 -1.00 0.00 0.00 0.00 175.10 174.52 1hca s HIS 122 N -0.20 0.71 0.01 5.22 3.76 -0.43 -1.89 115.29 122.47 1hca s HIS 122 Ca 0.22 -0.58 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 1hca s HIS 122 Cb -0.15 -0.42 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1hca s HIS 122 CO 0.10 -0.10 -0.21 1.67 -0.85 0.00 0.00 174.74 175.35 1hca s TRP 123 N -1.80 1.87 -0.30 1.40 1.48 -0.47 -2.01 118.94 119.11 1hca s TRP 123 Ca -0.06 -0.36 -0.28 0.00 -1.06 0.00 0.00 56.10 54.34 1hca s TRP 123 Cb -0.07 -1.16 -0.04 0.00 -1.16 0.00 0.00 33.47 31.04 1hca s TRP 123 CO -0.01 0.02 2.02 1.21 -4.06 0.00 0.00 176.95 176.14 1hca s ASN 124 N -0.80 5.58 0.66 -2.66 3.84 -0.39 -1.38 114.94 119.79 1hca s ASN 124 Ca 0.08 1.50 0.27 0.00 0.21 0.00 0.00 52.86 54.93 1hca s ASN 124 Cb -0.08 -2.52 1.47 0.00 -0.55 0.00 0.00 41.25 39.57 1hca s ASN 124 CO 0.00 -1.93 1.84 0.71 -2.79 0.00 0.00 177.10 174.93 1hca h THR 125 N 7.02 0.05 0.00 -5.21 1.35 -1.56 -2.65 112.91 111.91 1hca h THR 125 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1hca h THR 125 Cb 1.21 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1hca h THR 125 CO 1.02 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.58 1hca n LYS 127 N -2.96 0.05 0.00 4.72 2.85 -1.26 -2.68 118.16 118.88 1hca n LYS 127 Ca -0.00 0.27 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 1hca n LYS 127 Cb 0.47 -1.60 0.63 0.00 -0.65 0.00 0.00 35.03 33.89 1hca n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hca n TYR 128 N -1.70 0.00 0.00 5.58 4.01 -1.00 -4.98 117.16 119.07 1hca n TYR 128 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1hca n TYR 128 Cb 0.20 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 1hca n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hca n GLY 129 N 1.14 1.50 3.26 2.72 0.00 -1.09 -4.64 105.19 108.07 1hca n GLY 129 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1hca n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hca s ASP 130 N 0.00 0.04 0.17 1.61 1.47 -1.26 -5.03 116.67 113.67 1hca s ASP 130 Ca 0.00 -0.64 -0.15 0.00 1.18 0.00 0.00 52.55 52.94 1hca s ASP 130 Cb 0.00 0.39 0.13 0.00 -0.34 0.00 0.00 42.92 43.10 1hca s ASP 130 CO 0.00 -0.79 1.70 0.15 0.68 0.00 0.00 175.17 176.91 1hca h PHE 131 N 2.63 -0.00 -0.77 2.11 3.57 -1.94 -2.42 116.94 120.12 1hca h PHE 131 Ca -0.33 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.42 1hca h PHE 131 Cb 1.22 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1hca h PHE 131 CO 0.40 -0.08 0.58 0.78 -2.23 0.00 0.00 178.31 177.77 1hca h GLY 132 N 0.12 0.00 0.95 2.40 0.00 -1.97 -0.87 103.07 103.71 1hca h GLY 132 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.36 1hca h GLY 132 CO -0.34 0.00 -1.48 0.28 0.00 0.00 0.00 176.54 175.00 1hca n LYS 133 N -4.20 0.62 -0.03 4.80 4.76 -0.93 -4.11 118.16 119.07 1hca n LYS 133 Ca 0.16 0.22 -0.10 0.00 -2.87 0.00 0.00 58.31 55.72 1hca n LYS 133 Cb 0.87 -1.80 0.04 0.00 -1.84 0.00 0.00 35.03 32.30 1hca n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hca h ALA 134 N 1.36 0.67 0.00 7.82 0.00 -0.92 -2.46 119.26 125.74 1hca h ALA 134 Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1hca h ALA 134 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1hca h ALA 134 CO 0.05 0.68 0.00 1.33 0.00 0.00 0.00 179.25 181.30 1hca n VAL 135 N -4.00 0.00 -0.36 0.00 0.24 -0.96 -0.64 118.33 112.60 1hca n VAL 135 Ca -0.03 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.35 1hca n VAL 135 Cb 0.58 -0.78 0.24 0.00 -1.47 0.00 0.00 33.84 32.41 1hca n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hca n GLN 136 N -1.00 2.96 -4.43 7.34 6.02 -0.92 -4.89 117.38 122.46 1hca n GLN 136 Ca 0.11 -2.41 -0.22 0.00 -0.01 0.00 0.00 57.00 54.47 1hca n GLN 136 Cb 0.05 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.69 1hca n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1hca s GLN 137 N -1.27 1.10 0.53 -1.09 -1.52 0.18 -5.03 119.66 112.56 1hca s GLN 137 Ca 0.36 -0.87 0.30 0.00 -1.95 0.00 0.00 55.36 53.20 1hca s GLN 137 Cb 0.21 -1.17 1.49 0.00 -0.22 0.00 0.00 33.01 33.32 1hca s GLN 137 CO 0.21 0.29 2.07 -1.00 -0.25 0.00 0.00 175.29 176.61 1hca h PRO 138 N 4.79 0.00 -0.07 2.91 0.13 -1.83 -2.57 132.00 135.36 1hca h PRO 138 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1hca h PRO 138 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1hca h PRO 138 CO 0.43 0.10 -0.60 -0.40 -0.23 0.00 0.00 178.00 177.30 1hca n ASP 139 N -3.48 1.90 -0.15 1.44 5.75 -1.26 -4.50 116.55 116.25 1hca n ASP 139 Ca -0.01 -3.64 -0.09 0.00 -0.01 0.00 0.00 54.79 51.03 1hca n ASP 139 Cb 0.25 -0.49 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1hca n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hca h GLY 140 N 1.12 0.75 -2.38 6.12 0.00 -1.32 -3.44 103.07 103.92 1hca h GLY 140 Ca 0.00 -0.45 -0.50 0.00 0.00 0.00 0.00 47.33 46.39 1hca h GLY 140 CO 0.08 0.42 -0.72 1.08 0.00 0.00 0.00 176.54 177.40 1hca s LEU 141 N -9.67 2.55 -0.13 3.11 1.43 -0.64 -1.26 118.68 114.07 1hca s LEU 141 Ca -0.13 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1hca s LEU 141 Cb 0.11 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.63 1hca s LEU 141 CO 0.77 -0.18 0.13 0.00 0.23 0.00 0.00 176.35 177.30 1hca s ALA 142 N -2.89 0.11 -0.07 4.21 0.00 -0.85 -1.89 121.76 120.39 1hca s ALA 142 Ca 0.26 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1hca s ALA 142 Cb -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1hca s ALA 142 CO 0.10 -0.91 -0.11 0.08 0.00 0.00 0.00 175.76 174.92 1hca s VAL 143 N 2.22 3.30 -0.31 0.00 1.01 -1.06 -1.32 120.40 124.24 1hca s VAL 143 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1hca s VAL 143 Cb -0.14 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1hca s VAL 143 CO -0.08 0.58 0.15 -0.22 0.00 0.00 0.00 175.10 175.54 1hca s LEU 144 N -0.61 4.12 -0.15 3.92 0.20 0.07 -2.23 118.68 123.98 1hca s LEU 144 Ca 0.09 -0.53 -0.14 0.00 0.69 0.00 0.00 54.13 54.23 1hca s LEU 144 Cb -0.11 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 1hca s LEU 144 CO 0.01 -0.20 0.32 -0.83 -0.29 0.00 0.00 176.35 175.36 1hca s GLY 145 N 1.61 2.24 -0.06 7.98 0.00 0.99 -1.76 107.32 118.32 1hca s GLY 145 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 1hca s GLY 145 CO 0.06 0.47 -0.00 -0.42 0.00 0.00 0.00 173.10 173.21 1hca s ILE 146 N 0.46 0.37 0.31 0.90 1.01 0.49 -2.29 121.20 122.45 1hca s ILE 146 Ca 0.18 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 1hca s ILE 146 Cb -0.13 -0.51 -0.09 0.00 0.01 0.00 0.00 42.46 41.74 1hca s ILE 146 CO 0.05 0.24 0.81 -0.36 0.00 0.00 0.00 174.94 175.68 1hca s PHE 147 N 1.75 3.51 -0.08 3.97 0.08 -1.26 0.14 117.98 126.08 1hca s PHE 147 Ca 0.02 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.55 1hca s PHE 147 Cb -0.13 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 1hca s PHE 147 CO -0.04 0.16 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.55 1hca s LEU 148 N -2.52 1.83 0.26 -0.37 1.02 -0.55 -1.08 118.68 117.27 1hca s LEU 148 Ca 0.51 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 54.35 1hca s LEU 148 Cb -0.14 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.95 1hca s LEU 148 CO 0.19 0.08 -0.08 -1.59 0.02 0.00 0.00 176.35 174.97 1hca s LYS 149 N 0.56 2.07 -0.26 1.70 -2.85 0.70 -2.26 119.74 119.40 1hca s LYS 149 Ca -0.16 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.97 53.07 1hca s LYS 149 Cb -0.17 -2.04 -0.01 0.00 -2.06 0.00 0.00 37.83 33.56 1hca s LYS 149 CO 0.05 0.36 0.78 0.08 0.10 0.00 0.00 175.35 176.72 1hca s VAL 150 N -2.29 4.85 0.00 1.79 1.01 -1.25 0.39 120.40 124.89 1hca s VAL 150 Ca 0.30 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1hca s VAL 150 Cb -0.06 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1hca s VAL 150 CO 0.18 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1hca n GLY 151 N 3.96 2.59 3.81 4.51 0.00 0.36 -4.85 105.19 115.57 1hca n GLY 151 Ca 0.04 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1hca n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hca s SER 152 N 2.00 6.91 0.55 1.61 0.01 -1.26 -3.47 113.70 120.04 1hca s SER 152 Ca 0.00 1.78 -0.22 0.00 1.31 0.00 0.00 55.95 58.82 1hca s SER 152 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1hca s SER 152 CO 0.00 -0.38 1.37 0.00 0.41 0.00 0.00 173.24 174.64 1hca s ALA 153 N -2.01 2.82 -0.50 1.44 0.00 -1.26 -3.04 121.76 119.20 1hca s ALA 153 Ca 0.60 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.80 1hca s ALA 153 Cb -0.13 -3.58 0.12 0.00 0.00 0.00 0.00 23.12 19.54 1hca s ALA 153 CO 0.17 -1.41 0.41 0.21 0.00 0.00 0.00 175.76 175.15 1hca s LYS 154 N -2.91 2.71 0.22 0.00 2.47 -1.26 -4.83 119.74 116.15 1hca s LYS 154 Ca 0.72 -1.74 -0.07 0.00 -1.56 0.00 0.00 55.97 53.32 1hca s LYS 154 Cb -0.41 -4.09 0.34 0.00 -1.46 0.00 0.00 37.83 32.20 1hca s LYS 154 CO 0.49 -1.25 1.76 -1.00 0.16 0.00 0.00 175.35 175.50 1hca h PRO 155 N 8.65 0.49 0.00 4.03 0.13 -1.93 -1.70 132.00 141.67 1hca h PRO 155 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1hca h PRO 155 Cb 1.09 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1hca h PRO 155 CO 0.94 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 179.45 1hca n GLY 156 N -1.30 -0.62 0.01 1.56 0.00 -1.26 -2.46 105.19 101.12 1hca n GLY 156 Ca 0.11 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1hca n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hca n LEU 157 N -1.35 0.28 -0.34 0.99 7.94 -0.64 -4.61 117.00 119.27 1hca n LEU 157 Ca 0.03 -0.15 0.04 0.00 -1.11 0.00 0.00 56.01 54.83 1hca n LEU 157 Cb 0.07 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.22 1hca n LEU 157 CO 0.07 0.07 1.21 -0.61 -1.11 0.00 0.00 177.39 177.02 1hca h GLN 158 N 0.00 0.96 -0.80 1.96 5.75 -1.48 -1.40 115.11 120.10 1hca h GLN 158 Ca 0.00 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1hca h GLN 158 Cb 0.78 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.04 1hca h GLN 158 CO 0.00 0.63 0.46 0.87 -2.65 0.00 0.00 178.83 178.14 1hca h LYS 159 N 0.99 0.77 -0.34 1.69 1.57 -1.81 -0.76 116.57 118.67 1hca h LYS 159 Ca 0.45 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1hca h LYS 159 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1hca h LYS 159 CO -0.23 0.51 0.15 0.28 -0.57 0.00 0.00 179.45 179.59 1hca h VAL 160 N 0.79 1.17 -1.00 0.50 2.07 -1.58 -3.05 116.25 115.15 1hca h VAL 160 Ca 0.38 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1hca h VAL 160 Cb 0.31 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1hca h VAL 160 CO -0.23 0.19 0.65 0.58 0.02 0.00 0.00 177.57 178.77 1hca h VAL 161 N 0.40 1.08 -0.11 2.57 2.07 -0.87 -3.04 116.25 118.35 1hca h VAL 161 Ca 0.11 -0.40 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 1hca h VAL 161 Cb 0.15 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1hca h VAL 161 CO -0.01 0.21 -0.66 0.44 0.02 0.00 0.00 177.57 177.57 1hca h ASP 162 N 1.17 0.51 0.71 0.57 3.32 -1.06 -3.25 116.42 118.39 1hca h ASP 162 Ca 0.44 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1hca h ASP 162 Cb 0.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1hca h ASP 162 CO -0.18 1.03 0.00 0.55 -1.72 0.00 0.00 179.24 178.92 1hca n VAL 163 N -3.88 0.59 0.05 -1.35 3.14 -1.15 -3.80 118.33 111.94 1hca n VAL 163 Ca -0.04 0.14 0.04 0.00 -2.96 0.00 0.00 64.34 61.53 1hca n VAL 163 Cb 0.66 -0.80 0.45 0.00 -1.06 0.00 0.00 33.84 33.10 1hca n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1hca h LEU 164 N 0.00 0.37 -1.91 6.55 3.38 -1.60 -1.36 115.31 120.75 1hca h LEU 164 Ca 0.00 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1hca h LEU 164 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1hca h LEU 164 CO 0.00 0.29 0.43 0.44 0.09 0.00 0.00 178.44 179.69 1hca h ASP 165 N 0.43 0.09 1.11 -0.43 3.32 -1.82 -1.31 116.42 117.81 1hca h ASP 165 Ca 0.11 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1hca h ASP 165 Cb -0.01 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1hca h ASP 165 CO -0.02 0.04 -0.40 0.28 -1.72 0.00 0.00 179.24 177.42 1hca h SER 166 N 0.09 0.00 -0.24 6.45 0.02 -1.52 -3.35 113.55 115.00 1hca h SER 166 Ca 0.29 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.04 1hca h SER 166 Cb 1.03 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 1hca h SER 166 CO -0.03 0.40 -0.73 2.30 -1.14 0.00 0.00 176.83 177.64 1hca n ILE 167 N -3.38 1.87 -0.31 3.27 -5.35 -0.51 -4.69 119.36 110.26 1hca n ILE 167 Ca 0.01 -3.13 0.17 0.00 -0.27 0.00 0.00 62.75 59.52 1hca n ILE 167 Cb 0.59 -0.15 0.35 0.00 -1.74 0.00 0.00 39.64 38.68 1hca n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hca h LYS 168 N 1.47 0.20 -6.40 6.28 3.64 -1.65 -3.43 116.57 116.68 1hca h LYS 168 Ca 0.05 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.81 1hca h LYS 168 Cb 1.31 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.96 1hca h LYS 168 CO 0.24 0.13 -0.70 0.95 -2.27 0.00 0.00 179.45 177.80 1hca s THR 169 N -5.86 3.35 0.08 1.00 -4.23 -1.26 -0.69 115.64 108.03 1hca s THR 169 Ca -0.11 -1.61 -0.33 0.00 -1.18 0.00 0.00 61.69 58.45 1hca s THR 169 Cb 0.28 -2.67 -0.12 0.00 1.34 0.00 0.00 72.50 71.32 1hca s THR 169 CO 0.78 -0.13 1.74 1.17 -0.54 0.00 0.00 174.62 177.64 1hca n LYS 170 N -0.06 2.36 0.00 3.99 4.81 0.03 -1.59 118.16 127.70 1hca n LYS 170 Ca -0.10 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1hca n LYS 170 Cb 0.56 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1hca n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hca n GLY 171 N 3.93 1.48 3.77 3.14 0.00 -0.07 -4.40 105.19 113.03 1hca n GLY 171 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1hca n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hca s LYS 172 N -0.05 3.83 0.06 1.61 -0.14 -0.62 -4.84 119.74 119.58 1hca s LYS 172 Ca 0.00 1.82 -0.16 0.00 -1.36 0.00 0.00 55.97 56.27 1hca s LYS 172 Cb 0.00 -2.49 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1hca s LYS 172 CO 0.00 -0.50 0.37 -1.54 -0.76 0.00 0.00 175.35 172.91 1hca s SER 173 N -1.27 -0.21 -0.06 2.83 1.04 -1.26 -0.61 113.70 114.16 1hca s SER 173 Ca 0.62 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.80 1hca s SER 173 Cb -0.30 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1hca s SER 173 CO 0.36 -0.68 0.26 0.00 0.98 0.00 0.00 173.24 174.16 1hca s ALA 174 N -2.76 -0.64 0.31 5.32 0.00 0.61 -4.96 121.76 119.63 1hca s ALA 174 Ca -0.03 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1hca s ALA 174 Cb -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 23.12 22.77 1hca s ALA 174 CO -0.05 -0.18 1.28 -0.25 0.00 0.00 0.00 175.76 176.57 1hca n ASP 175 N 2.26 2.54 -2.80 0.00 8.00 -1.26 -1.54 116.55 123.74 1hca n ASP 175 Ca -0.17 1.19 -0.08 0.00 0.71 0.00 0.00 54.79 56.44 1hca n ASP 175 Cb 0.57 -1.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.25 1hca n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1hca n PHE 176 N 0.74 -3.33 -3.87 1.24 7.35 0.23 -4.76 117.46 115.06 1hca n PHE 176 Ca 0.07 -1.73 -0.21 0.00 -0.76 0.00 0.00 57.45 54.82 1hca n PHE 176 Cb 0.34 1.39 -0.02 0.00 0.35 0.00 0.00 39.48 41.55 1hca n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hca s THR 177 N 0.66 5.19 -1.13 -2.13 -4.23 -1.25 -2.93 115.64 109.83 1hca s THR 177 Ca 0.31 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1hca s THR 177 Cb 0.12 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1hca s THR 177 CO -0.16 -0.35 0.96 0.59 -0.54 0.00 0.00 174.62 175.12 1hca n ASN 178 N -1.47 -3.92 -4.45 3.99 4.13 -1.26 -4.96 115.26 107.32 1hca n ASN 178 Ca -0.08 -0.51 -0.35 0.00 1.68 0.00 0.00 54.58 55.32 1hca n ASN 178 Cb 0.57 -4.54 -0.12 0.00 -1.54 0.00 0.00 39.78 34.15 1hca n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1hca s PHE 179 N -3.30 3.06 -0.42 3.10 5.36 -1.26 -5.04 117.98 119.48 1hca s PHE 179 Ca 0.25 -0.44 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1hca s PHE 179 Cb -0.11 -2.11 0.06 0.00 -0.34 0.00 0.00 43.02 40.52 1hca s PHE 179 CO 0.64 -0.25 0.28 0.34 -1.46 0.00 0.00 175.22 174.77 1hca s ASP 180 N 1.10 5.81 0.56 6.13 -1.08 -1.26 -4.44 116.67 123.49 1hca s ASP 180 Ca 0.03 -1.31 0.24 0.00 -0.52 0.00 0.00 52.55 50.99 1hca s ASP 180 Cb -0.14 -2.05 1.59 0.00 -1.46 0.00 0.00 42.92 40.85 1hca s ASP 180 CO 0.02 -0.52 2.19 1.55 0.52 0.00 0.00 175.17 178.93 1hca h PRO 181 N 8.51 0.00 -0.45 4.34 0.13 -1.96 -2.52 132.00 140.06 1hca h PRO 181 Ca -0.25 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.01 1hca h PRO 181 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1hca h PRO 181 CO 0.77 0.00 0.74 0.00 -0.23 0.00 0.00 178.00 179.28 1hca h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 0.43 114.38 116.82 1hca h ARG 182 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1hca h ARG 182 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1hca h ARG 182 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1hca n GLY 183 N -1.50 -1.49 1.07 0.04 0.00 -0.95 -3.02 105.19 99.34 1hca n GLY 183 Ca 0.09 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1hca n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hca n LEU 184 N -2.01 3.29 -4.82 0.99 4.77 0.15 -4.49 117.00 114.88 1hca n LEU 184 Ca 0.05 -1.35 -0.38 0.00 -0.03 0.00 0.00 56.01 54.30 1hca n LEU 184 Cb 0.34 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1hca n LEU 184 CO 0.25 0.67 0.23 -0.76 -1.33 0.00 0.00 177.39 176.45 1hca s LEU 185 N -1.60 4.48 0.98 2.23 1.43 -1.17 -4.95 118.68 120.09 1hca s LEU 185 Ca 0.35 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1hca s LEU 185 Cb 0.21 -2.90 0.18 0.00 0.03 0.00 0.00 46.19 43.71 1hca s LEU 185 CO 0.30 0.25 1.18 -2.16 0.23 0.00 0.00 176.35 176.15 1hca s PRO 186 N -1.26 0.59 -0.01 1.29 0.04 -1.26 -5.00 135.00 129.39 1hca s PRO 186 Ca 0.30 0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.14 1hca s PRO 186 Cb -0.18 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 1hca s PRO 186 CO 0.18 -2.52 1.22 1.49 0.04 0.00 0.00 177.00 177.41 1hca h GLU 187 N -1.73 -0.19 -6.24 4.56 4.81 -1.92 -3.44 114.58 110.44 1hca h GLU 187 Ca -0.48 0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.19 1hca h GLU 187 Cb 1.30 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1hca h GLU 187 CO 0.51 0.19 -0.19 0.45 -0.73 0.00 0.00 179.01 179.24 1hca s SER 188 N -5.38 6.66 -0.37 1.04 0.15 -1.26 -5.00 113.70 109.54 1hca s SER 188 Ca -0.15 0.86 0.06 0.00 0.70 0.00 0.00 55.95 57.43 1hca s SER 188 Cb 0.02 -2.20 0.53 0.00 -1.71 0.00 0.00 66.02 62.66 1hca s SER 188 CO 0.59 0.09 1.60 0.18 1.20 0.00 0.00 173.24 176.89 1hca n LEU 189 N 0.55 5.18 -4.76 3.45 4.77 -1.26 -4.71 117.00 120.22 1hca n LEU 189 Ca -0.05 -3.93 -0.41 0.00 -0.03 0.00 0.00 56.01 51.60 1hca n LEU 189 Cb 0.52 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1hca n LEU 189 CO 0.44 1.35 0.97 -1.81 -1.33 0.00 0.00 177.39 177.01 1hca s ASP 190 N -2.33 6.82 0.19 -1.43 1.01 -1.26 -4.73 116.67 114.94 1hca s ASP 190 Ca 0.50 2.62 -0.08 0.00 0.71 0.00 0.00 52.55 56.30 1hca s ASP 190 Cb 0.44 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1hca s ASP 190 CO 0.02 -0.51 0.29 -0.72 0.21 0.00 0.00 175.17 174.46 1hca s TYR 191 N -0.91 0.55 -0.00 4.23 1.13 -1.26 -1.36 117.35 119.73 1hca s TYR 191 Ca 0.50 -0.89 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 1hca s TYR 191 Cb -0.39 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 1hca s TYR 191 CO 0.49 -0.76 -0.15 -1.58 -2.51 0.00 0.00 175.55 171.04 1hca s TRP 192 N -4.02 2.65 -0.03 -3.49 0.51 0.32 -0.76 118.94 114.12 1hca s TRP 192 Ca 0.23 -0.19 -0.02 0.00 -2.12 0.00 0.00 56.10 53.99 1hca s TRP 192 Cb 0.03 -1.55 0.02 0.00 -0.81 0.00 0.00 33.47 31.15 1hca s TRP 192 CO 0.04 0.23 0.08 -0.08 -0.51 0.00 0.00 176.95 176.71 1hca s THR 193 N -0.84 -0.02 0.12 2.01 -1.32 -0.43 -1.11 115.64 114.05 1hca s THR 193 Ca 0.13 0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.44 1hca s THR 193 Cb -0.11 -0.13 0.07 0.00 -1.51 0.00 0.00 72.50 70.82 1hca s THR 193 CO 0.03 0.03 0.59 -0.72 -2.21 0.00 0.00 174.62 172.34 1hca s TYR 194 N 0.38 -0.53 -0.14 9.09 1.13 -0.92 -2.10 117.35 124.26 1hca s TYR 194 Ca -0.03 0.44 -0.26 0.00 -1.41 0.00 0.00 57.07 55.80 1hca s TYR 194 Cb -0.04 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 1hca s TYR 194 CO -0.01 -0.79 0.88 -1.25 -2.51 0.00 0.00 175.55 171.86 1hca s PRO 195 N -3.27 4.34 0.00 -3.49 0.05 -1.26 -0.26 135.00 131.12 1hca s PRO 195 Ca -0.01 1.12 0.00 0.00 0.05 0.00 0.00 61.00 62.16 1hca s PRO 195 Cb -0.01 -3.56 0.00 0.00 0.05 0.00 0.00 34.50 30.99 1hca s PRO 195 CO -0.09 -0.30 0.00 0.41 0.05 0.00 0.00 177.00 177.07 1hca n GLY 196 N 3.33 4.64 2.95 0.56 0.00 0.20 -4.80 105.19 112.07 1hca n GLY 196 Ca 0.05 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 1hca n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hca n SER 197 N 0.00 0.14 -4.77 1.61 3.41 -1.01 -2.05 113.62 110.95 1hca n SER 197 Ca 0.00 -2.97 -0.33 0.00 -0.26 0.00 0.00 58.87 55.31 1hca n SER 197 Cb 0.00 1.27 0.04 0.00 -0.26 0.00 0.00 64.21 65.26 1hca n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hca s LEU 198 N 0.00 3.43 -0.16 1.04 1.43 -0.71 -4.45 118.68 119.26 1hca s LEU 198 Ca 0.29 2.04 0.16 0.00 -1.03 0.00 0.00 54.13 55.58 1hca s LEU 198 Cb 0.01 -4.56 0.61 0.00 0.03 0.00 0.00 46.19 42.29 1hca s LEU 198 CO 0.20 -1.61 1.53 0.35 0.23 0.00 0.00 176.35 177.05 1hca n THR 199 N -2.29 2.17 -3.85 5.49 -2.24 -1.26 -4.45 114.28 107.85 1hca n THR 199 Ca 0.11 -1.53 -0.12 0.00 -2.27 0.00 0.00 64.05 60.24 1hca n THR 199 Cb 0.52 -0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 1hca n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hca s THR 200 N -2.41 0.05 0.30 4.28 -4.23 -1.26 -4.70 115.64 107.67 1hca s THR 200 Ca 0.45 -0.45 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 1hca s THR 200 Cb 0.33 -0.37 -0.14 0.00 1.34 0.00 0.00 72.50 73.65 1hca s THR 200 CO 0.14 -0.25 0.79 -2.65 -0.54 0.00 0.00 174.62 172.12 1hca n PRO 201 N 1.97 0.86 0.00 3.99 -0.02 -1.26 -1.14 135.00 139.40 1hca n PRO 201 Ca -0.19 0.30 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 1hca n PRO 201 Cb 0.57 -1.57 0.18 0.00 -0.02 0.00 0.00 33.50 32.65 1hca n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hca n PRO 202 N 0.75 0.69 -3.23 0.52 -0.02 -1.26 -4.99 135.00 127.46 1hca n PRO 202 Ca 0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 1hca n PRO 202 Cb 0.32 -1.13 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1hca n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1hca n LEU 203 N -0.63 -1.94 -4.72 2.45 4.77 -0.29 -4.88 117.00 111.76 1hca n LEU 203 Ca 0.04 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1hca n LEU 203 Cb 0.02 -2.42 -0.03 0.00 -2.33 0.00 0.00 43.42 38.66 1hca n LEU 203 CO 0.03 0.18 1.31 -0.76 -1.33 0.00 0.00 177.39 176.83 1hca s LEU 204 N -6.54 4.37 -1.41 2.23 1.43 -1.26 -4.48 118.68 113.02 1hca s LEU 204 Ca 0.36 2.74 -0.08 0.00 -1.03 0.00 0.00 54.13 56.13 1hca s LEU 204 Cb -0.18 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1hca s LEU 204 CO 0.45 -0.91 2.48 -0.62 0.23 0.00 0.00 176.35 177.98 1hca n GLU 205 N 4.13 4.14 0.00 1.70 1.02 -1.26 -1.75 120.64 128.62 1hca n GLU 205 Ca 0.15 -3.07 0.01 0.00 -0.02 0.00 0.00 57.16 54.22 1hca n GLU 205 Cb 0.37 -2.75 -0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1hca n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hca s VAL 207 N -0.58 5.33 -0.43 0.00 1.01 -0.87 -1.62 120.40 123.24 1hca s VAL 207 Ca 0.01 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1hca s VAL 207 Cb 0.01 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1hca s VAL 207 CO 0.03 0.60 0.31 -0.89 0.00 0.00 0.00 175.10 175.15 1hca s THR 208 N -1.05 4.86 0.08 3.92 2.01 -0.79 0.63 115.64 125.29 1hca s THR 208 Ca 0.18 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 60.94 1hca s THR 208 Cb -0.14 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 1hca s THR 208 CO 0.08 -0.44 0.63 0.26 -0.69 0.00 0.00 174.62 174.45 1hca s TRP 209 N 1.58 3.80 -0.33 4.92 0.52 0.64 -2.58 118.94 127.49 1hca s TRP 209 Ca 0.03 1.35 -0.01 0.00 0.02 0.00 0.00 56.10 57.50 1hca s TRP 209 Cb -0.22 -2.60 0.11 0.00 -1.15 0.00 0.00 33.47 29.61 1hca s TRP 209 CO 0.06 0.51 0.13 0.42 0.02 0.00 0.00 176.95 178.09 1hca s ILE 210 N -0.87 0.81 -0.24 2.03 1.01 -0.95 -2.16 121.20 120.83 1hca s ILE 210 Ca 0.31 -1.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1hca s ILE 210 Cb -0.20 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1hca s ILE 210 CO 0.20 -0.74 0.07 -0.69 0.00 0.00 0.00 174.94 173.78 1hca s VAL 211 N 1.44 4.33 0.35 2.92 1.01 -0.27 -0.00 120.40 130.17 1hca s VAL 211 Ca 0.11 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 1hca s VAL 211 Cb -0.19 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1hca s VAL 211 CO -0.21 0.35 0.96 -0.76 0.00 0.00 0.00 175.10 175.44 1hca s LEU 212 N 1.50 4.25 0.09 3.92 2.01 -0.97 -0.52 118.68 128.96 1hca s LEU 212 Ca 0.06 1.83 -0.16 0.00 0.01 0.00 0.00 54.13 55.87 1hca s LEU 212 Cb -0.15 -4.13 -0.09 0.00 0.01 0.00 0.00 46.19 41.83 1hca s LEU 212 CO 0.03 -0.16 1.41 0.50 1.01 0.00 0.00 176.35 179.15 1hca h LYS 213 N 2.87 0.64 -5.86 1.70 3.64 -1.56 -3.44 116.57 114.57 1hca h LYS 213 Ca -0.47 -0.33 -0.59 0.00 -1.27 0.00 0.00 60.65 57.99 1hca h LYS 213 Cb 1.19 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1hca h LYS 213 CO 0.64 0.93 0.42 -2.00 -2.27 0.00 0.00 179.45 177.17 1hca s GLU 214 N -4.38 4.24 0.51 1.90 2.12 -1.26 -5.04 118.70 116.79 1hca s GLU 214 Ca -0.13 0.96 -0.04 0.00 0.36 0.00 0.00 54.97 56.13 1hca s GLU 214 Cb 0.08 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1hca s GLU 214 CO 0.81 -0.41 0.80 -1.25 -0.54 0.00 0.00 175.26 174.67 1hca s PRO 215 N 2.46 3.20 0.09 4.30 0.04 -1.26 -4.75 135.00 139.08 1hca s PRO 215 Ca 0.36 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.39 1hca s PRO 215 Cb -0.16 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1hca s PRO 215 CO 0.10 -0.40 0.15 0.96 0.04 0.00 0.00 177.00 177.85 1hca s ILE 216 N -2.79 4.91 -0.02 0.56 -4.36 -0.24 -4.92 121.20 114.34 1hca s ILE 216 Ca 0.50 -0.67 0.02 0.00 -0.26 0.00 0.00 60.65 60.24 1hca s ILE 216 Cb -0.10 -3.41 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 1hca s ILE 216 CO 0.43 0.08 -0.05 -0.94 0.24 0.00 0.00 174.94 174.70 1hca s SER 217 N -2.62 4.73 0.09 4.36 1.04 -1.26 -0.21 113.70 119.84 1hca s SER 217 Ca 0.32 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.70 1hca s SER 217 Cb -0.12 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 1hca s SER 217 CO 0.25 0.31 -0.09 0.68 0.98 0.00 0.00 173.24 175.37 1hca s VAL 218 N -0.96 0.83 0.59 5.02 -7.23 0.16 -4.06 120.40 114.76 1hca s VAL 218 Ca 0.16 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 1hca s VAL 218 Cb -0.11 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1hca s VAL 218 CO 0.06 -0.63 1.02 -0.94 -0.31 0.00 0.00 175.10 174.30 1hca s SER 219 N -2.54 6.19 0.37 4.85 1.04 -1.20 0.14 113.70 122.55 1hca s SER 219 Ca 0.06 1.53 0.06 0.00 0.48 0.00 0.00 55.95 58.09 1hca s SER 219 Cb -0.01 -2.49 0.76 0.00 0.10 0.00 0.00 66.02 64.38 1hca s SER 219 CO -0.01 -0.89 1.97 -1.28 0.98 0.00 0.00 173.24 174.00 1hca h SER 220 N 0.09 0.64 0.23 7.02 0.87 -1.94 -1.15 113.55 119.30 1hca h SER 220 Ca -0.45 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 1hca h SER 220 Cb 1.19 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1hca h SER 220 CO 0.61 0.41 -0.52 1.05 -0.53 0.00 0.00 176.83 177.84 1hca h GLU 221 N 0.72 0.33 -0.40 2.24 9.09 -1.93 0.29 114.58 124.92 1hca h GLU 221 Ca 0.30 -0.20 -0.16 0.00 0.05 0.00 0.00 59.36 59.35 1hca h GLU 221 Cb 0.26 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1hca h GLU 221 CO -0.10 0.78 -0.37 1.96 0.05 0.00 0.00 179.01 181.33 1hca h GLN 222 N 0.26 0.95 -0.07 1.06 4.20 -1.63 -3.07 115.11 116.81 1hca h GLN 222 Ca 0.01 -0.49 -0.20 0.00 0.06 0.00 0.00 58.65 58.03 1hca h GLN 222 Cb 1.01 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1hca h GLN 222 CO 0.09 1.15 -0.77 -0.24 -0.67 0.00 0.00 178.83 178.38 1hca h VAL 223 N 0.78 1.37 -0.45 -0.54 3.04 -1.17 -3.23 116.25 116.06 1hca h VAL 223 Ca 0.07 -2.18 0.07 0.00 -1.01 0.00 0.00 66.70 63.65 1hca h VAL 223 Cb 0.96 2.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.37 1hca h VAL 223 CO 0.09 0.66 0.30 -0.07 -1.01 0.00 0.00 177.57 177.54 1hca h LEU 224 N 0.30 0.27 -0.79 3.16 3.38 -0.85 -2.01 115.31 118.76 1hca h LEU 224 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1hca h LEU 224 Cb 1.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1hca h LEU 224 CO 0.14 0.17 -0.21 0.11 0.09 0.00 0.00 178.44 178.74 1hca h LYS 225 N 0.30 0.00 -0.39 1.13 1.57 -1.55 -3.05 116.57 114.58 1hca h LYS 225 Ca 0.20 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1hca h LYS 225 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1hca h LYS 225 CO -0.04 0.21 -0.09 0.74 -0.57 0.00 0.00 179.45 179.70 1hca h PHE 226 N 0.00 0.84 0.00 -1.35 -1.00 -1.49 -2.92 116.94 111.02 1hca h PHE 226 Ca -0.00 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1hca h PHE 226 Cb 0.87 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1hca h PHE 226 CO 0.00 0.88 0.00 0.54 -1.61 0.00 0.00 178.31 178.12 1hca n ARG 227 N -4.36 0.08 0.00 1.51 1.74 -1.16 -2.33 116.66 112.16 1hca n ARG 227 Ca -0.01 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.41 1hca n ARG 227 Cb 0.35 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.77 1hca n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hca n LYS 228 N -1.41 0.69 -1.32 5.56 5.02 -1.10 -4.50 118.16 121.10 1hca n LYS 228 Ca 0.05 -0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 55.70 1hca n LYS 228 Cb 0.14 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.76 1hca n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hca s LEU 229 N -2.54 2.82 0.01 -0.35 1.02 -0.98 -4.89 118.68 113.77 1hca s LEU 229 Ca 0.25 1.66 0.06 0.00 0.02 0.00 0.00 54.13 56.13 1hca s LEU 229 Cb 0.19 -4.32 -0.02 0.00 0.02 0.00 0.00 46.19 42.07 1hca s LEU 229 CO 0.51 -2.08 -0.20 0.20 0.02 0.00 0.00 176.35 174.81 1hca s ASN 230 N -3.51 2.34 -0.02 2.29 0.02 0.13 -0.22 114.94 115.98 1hca s ASN 230 Ca 0.61 -0.42 -0.19 0.00 -1.02 0.00 0.00 52.86 51.84 1hca s ASN 230 Cb -0.17 -0.23 -0.33 0.00 0.02 0.00 0.00 41.25 40.54 1hca s ASN 230 CO 0.56 0.20 0.94 -0.26 0.02 0.00 0.00 177.10 178.56 1hca h PHE 231 N 5.33 0.73 -4.01 2.20 0.04 -1.52 -3.32 116.94 116.39 1hca h PHE 231 Ca -0.40 -0.53 -0.49 0.00 2.80 0.00 0.00 57.97 59.35 1hca h PHE 231 Cb 1.15 -0.03 0.17 0.00 2.20 0.00 0.00 35.95 39.44 1hca h PHE 231 CO 0.44 1.41 0.21 0.54 -0.60 0.00 0.00 178.31 180.31 1hca s ASN 232 N -7.23 3.00 0.48 2.17 4.22 -1.26 -4.13 114.94 112.19 1hca s ASN 232 Ca -0.12 1.74 0.00 0.00 -2.14 0.00 0.00 52.86 52.35 1hca s ASN 232 Cb 0.02 -2.36 0.01 0.00 1.28 0.00 0.00 41.25 40.20 1hca s ASN 232 CO 0.88 -2.98 0.71 -0.83 -2.04 0.00 0.00 177.10 172.84 1hca s GLY 233 N -3.03 1.63 0.32 0.45 0.00 -1.26 -0.79 107.32 104.64 1hca s GLY 233 Ca 0.65 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1hca s GLY 233 CO 0.59 -0.90 1.57 1.85 0.00 0.00 0.00 173.10 176.20 1hca s GLU 234 N -4.63 4.12 -0.06 2.90 2.12 -1.26 -3.05 118.70 118.82 1hca s GLU 234 Ca 0.51 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.42 1hca s GLU 234 Cb -0.10 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1hca s GLU 234 CO 0.38 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1hca n GLY 235 N 1.70 0.37 3.28 -1.50 0.00 -1.26 -5.06 105.19 102.73 1hca n GLY 235 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 1hca n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hca s GLU 236 N -3.32 1.12 0.15 1.61 2.02 -1.17 -5.09 118.70 114.03 1hca s GLU 236 Ca 0.00 -1.31 -0.34 0.00 0.02 0.00 0.00 54.97 53.34 1hca s GLU 236 Cb 0.00 -1.06 -0.15 0.00 0.10 0.00 0.00 34.13 33.02 1hca s GLU 236 CO 0.00 0.21 1.44 -2.30 0.02 0.00 0.00 175.26 174.63 1hca n PRO 237 N 0.41 1.73 -2.54 0.39 -0.02 -1.26 -4.86 135.00 128.85 1hca n PRO 237 Ca -0.14 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1hca n PRO 237 Cb 0.57 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1hca n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1hca s GLU 238 N 0.46 4.25 -0.27 -0.52 2.12 -1.26 -4.76 118.70 118.72 1hca s GLU 238 Ca 0.78 1.51 0.02 0.00 0.36 0.00 0.00 54.97 57.64 1hca s GLU 238 Cb -0.78 -3.70 0.07 0.00 0.26 0.00 0.00 34.13 29.98 1hca s GLU 238 CO 0.44 -0.67 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.47 1hca s GLU 239 N 3.35 1.57 0.34 4.30 2.12 -1.26 -5.08 118.70 124.03 1hca s GLU 239 Ca 0.49 -1.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 1hca s GLU 239 Cb -0.18 -2.69 -0.11 0.00 0.26 0.00 0.00 34.13 31.41 1hca s GLU 239 CO 0.10 -0.71 1.50 -0.51 -0.54 0.00 0.00 175.26 175.10 1hca s LEU 240 N 1.28 4.34 -0.96 2.70 1.43 -1.26 -1.45 118.68 124.76 1hca s LEU 240 Ca -0.01 2.96 -0.24 0.00 -1.03 0.00 0.00 54.13 55.81 1hca s LEU 240 Cb -0.19 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1hca s LEU 240 CO -0.09 -0.84 1.43 -0.32 0.23 0.00 0.00 176.35 176.76 1hca s MET 241 N -1.46 3.48 0.05 1.70 -2.45 0.69 -4.75 119.30 116.58 1hca s MET 241 Ca 0.56 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 54.05 1hca s MET 241 Cb -0.46 -5.11 -0.03 0.00 1.25 0.00 0.00 34.83 30.48 1hca s MET 241 CO 0.56 -2.22 0.02 0.14 1.05 0.00 0.00 175.02 174.57 1hca s VAL 242 N 5.25 0.19 -1.26 10.11 -7.23 -1.26 -4.46 120.40 121.74 1hca s VAL 242 Ca 0.44 -1.57 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 1hca s VAL 242 Cb -0.02 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 1hca s VAL 242 CO -0.05 -0.87 0.63 0.47 -0.31 0.00 0.00 175.10 174.98 1hca n ASP 243 N 0.23 -2.83 -2.65 4.85 8.00 -0.95 -4.84 116.55 118.36 1hca n ASP 243 Ca -0.15 -0.99 -0.36 0.00 0.71 0.00 0.00 54.79 54.00 1hca n ASP 243 Cb 0.61 -3.32 0.04 0.00 -0.02 0.00 0.00 41.12 38.43 1hca n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1hca n ASN 244 N -2.84 7.44 -4.29 -2.24 6.94 -1.15 -4.85 115.26 114.26 1hca n ASN 244 Ca -0.20 -3.72 -0.21 0.00 -0.02 0.00 0.00 54.58 50.43 1hca n ASN 244 Cb 0.64 -1.06 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 1hca n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1hca s TRP 245 N -3.66 1.67 -0.13 -2.53 1.48 -1.26 -4.64 118.94 109.87 1hca s TRP 245 Ca 0.56 -0.49 -0.03 0.00 -1.06 0.00 0.00 56.10 55.08 1hca s TRP 245 Cb 0.45 -0.85 -0.03 0.00 -1.16 0.00 0.00 33.47 31.87 1hca s TRP 245 CO -0.26 0.25 -0.03 0.50 -4.06 0.00 0.00 176.95 173.36 1hca s ARG 246 N -2.64 3.41 0.68 3.25 3.52 -1.26 -4.96 118.95 120.95 1hca s ARG 246 Ca 0.12 -0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 55.07 1hca s ARG 246 Cb -0.06 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.48 1hca s ARG 246 CO 0.05 0.41 1.25 -2.14 -0.81 0.00 0.00 175.30 174.06 1hca s PRO 247 N -0.09 2.37 0.38 5.12 0.02 -1.26 -4.65 135.00 136.88 1hca s PRO 247 Ca 0.03 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.68 1hca s PRO 247 Cb -0.13 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 1hca s PRO 247 CO 0.02 -1.70 1.48 0.00 -0.33 0.00 0.00 177.00 176.48 1hca s ALA 248 N -1.69 3.54 0.31 -1.55 0.00 -1.26 -4.45 121.76 116.65 1hca s ALA 248 Ca 0.78 1.56 0.07 0.00 0.00 0.00 0.00 51.96 54.37 1hca s ALA 248 Cb -0.33 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 1hca s ALA 248 CO 0.42 -1.07 0.37 -0.65 0.00 0.00 0.00 175.76 174.83 1hca s GLN 249 N -2.13 3.06 0.39 0.00 -1.52 0.78 -4.94 119.66 115.30 1hca s GLN 249 Ca 0.54 -1.04 -0.27 0.00 -1.95 0.00 0.00 55.36 52.64 1hca s GLN 249 Cb -0.46 -2.71 -0.09 0.00 -0.22 0.00 0.00 33.01 29.52 1hca s GLN 249 CO 0.62 0.19 1.32 -2.14 -0.25 0.00 0.00 175.29 175.03 1hca s PRO 250 N -4.05 4.07 0.08 2.91 0.02 -1.26 -4.48 135.00 132.28 1hca s PRO 250 Ca 0.40 2.20 -0.15 0.00 0.02 0.00 0.00 61.00 63.47 1hca s PRO 250 Cb -0.08 -2.84 -0.19 0.00 0.02 0.00 0.00 34.50 31.40 1hca s PRO 250 CO 0.29 -0.43 1.24 1.25 -0.33 0.00 0.00 177.00 179.02 1hca h LEU 251 N 2.86 0.86 -2.91 -5.54 5.85 -1.94 -3.44 115.31 111.05 1hca h LEU 251 Ca -0.50 -0.68 -0.32 0.00 0.84 0.00 0.00 57.88 57.23 1hca h LEU 251 Cb 1.24 -0.26 0.10 0.00 0.37 0.00 0.00 40.66 42.12 1hca h LEU 251 CO 0.63 1.41 -0.80 0.29 -0.34 0.00 0.00 178.44 179.63 1hca n LYS 252 N -3.98 -1.56 0.00 1.25 5.02 -1.26 -3.40 118.16 114.22 1hca n LYS 252 Ca -0.09 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1hca n LYS 252 Cb 0.76 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 31.02 1hca n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1hca n ASN 253 N -2.71 0.00 -4.18 4.39 2.04 -1.26 -5.01 115.26 108.52 1hca n ASN 253 Ca -0.09 0.00 -0.38 0.00 -0.44 0.00 0.00 54.58 53.67 1hca n ASN 253 Cb 0.59 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.85 1hca n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1hca n ARG 254 N 0.00 0.00 -4.88 -3.83 1.74 -1.22 -4.97 116.66 103.50 1hca n ARG 254 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1hca n ARG 254 Cb 0.00 -0.99 -0.15 0.00 -1.02 0.00 0.00 32.46 30.30 1hca n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1hca s GLN 255 N -1.04 1.66 -0.27 5.56 0.74 -1.26 -5.00 119.66 120.06 1hca s GLN 255 Ca 0.55 -0.96 -0.10 0.00 0.05 0.00 0.00 55.36 54.90 1hca s GLN 255 Cb -0.48 -1.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.84 1hca s GLN 255 CO 0.66 0.46 0.17 0.42 -0.55 0.00 0.00 175.29 176.44 1hca s ILE 256 N -0.72 5.10 0.10 -2.34 1.01 -1.26 -4.75 121.20 118.34 1hca s ILE 256 Ca 0.09 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 1hca s ILE 256 Cb -0.09 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1hca s ILE 256 CO 0.01 0.27 0.36 -0.54 0.00 0.00 0.00 174.94 175.04 1hca s LYS 257 N 1.73 3.65 0.02 2.79 1.02 -0.89 0.05 119.74 128.10 1hca s LYS 257 Ca 0.07 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.11 1hca s LYS 257 Cb -0.16 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1hca s LYS 257 CO 0.09 0.52 -0.20 0.00 -0.92 0.00 0.00 175.35 174.85 1hca s ALA 258 N -1.53 2.50 -2.17 5.17 0.00 0.11 -1.32 121.76 124.53 1hca s ALA 258 Ca 0.37 -1.16 0.21 0.00 0.00 0.00 0.00 51.96 51.37 1hca s ALA 258 Cb -0.13 -0.71 0.54 0.00 0.00 0.00 0.00 23.12 22.82 1hca s ALA 258 CO 0.21 0.56 1.46 -1.13 0.00 0.00 0.00 175.76 176.86 1hca n SER 259 N 1.83 3.28 0.00 0.00 3.41 0.06 -1.13 113.62 121.07 1hca n SER 259 Ca -0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1hca n SER 259 Cb 0.52 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1hca n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10