#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2htl s ILE 2 N 0.00 4.78 -0.31 2.12 1.09 -1.26 -5.04 121.20 122.57 2htl s ILE 2 Ca 0.00 1.80 -0.05 0.00 -1.10 0.00 0.00 60.65 61.30 2htl s ILE 2 Cb 0.00 -4.20 0.04 0.00 -1.06 0.00 0.00 42.46 37.24 2htl s ILE 2 CO 0.00 0.28 0.05 -0.69 -0.10 0.00 0.00 174.94 174.49 2htl s VAL 3 N 0.38 3.47 -0.06 2.92 1.01 -1.26 -4.70 120.40 122.16 2htl s VAL 3 Ca 0.43 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2htl s VAL 3 Cb -0.21 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2htl s VAL 3 CO 0.25 -0.09 0.48 -0.76 0.00 0.00 0.00 175.10 174.97 2htl s LEU 4 N 1.36 4.36 -0.27 3.92 1.43 -1.26 -1.29 118.68 126.93 2htl s LEU 4 Ca -0.02 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2htl s LEU 4 Cb -0.19 -2.70 0.08 0.00 0.03 0.00 0.00 46.19 43.41 2htl s LEU 4 CO 0.01 0.12 0.02 -0.89 0.23 0.00 0.00 176.35 175.84 2htl s THR 5 N -0.05 1.38 -0.21 5.49 2.01 -0.90 -3.78 115.64 119.58 2htl s THR 5 Ca 0.26 -1.41 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2htl s THR 5 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2htl s THR 5 CO 0.12 -0.36 1.23 -1.10 -0.69 0.00 0.00 174.62 173.82 2htl s GLN 6 N 1.42 4.16 0.03 4.92 -0.21 -1.26 -2.97 119.66 125.74 2htl s GLN 6 Ca 0.02 1.50 -0.26 0.00 0.02 0.00 0.00 55.36 56.64 2htl s GLN 6 Cb -0.18 -3.77 -0.14 0.00 1.00 0.00 0.00 33.01 29.92 2htl s GLN 6 CO -0.12 -0.79 1.22 1.03 -2.12 0.00 0.00 175.29 174.51 2htl h SER 7 N 8.31 -0.78 -3.03 5.90 0.87 -1.88 -3.38 113.55 119.55 2htl h SER 7 Ca -0.25 0.03 -0.57 0.00 -1.23 0.00 0.00 61.79 59.77 2htl h SER 7 Cb 1.09 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 2htl h SER 7 CO 0.99 -0.49 0.91 -2.84 -0.53 0.00 0.00 176.83 174.86 2htl s PRO 8 N -4.75 4.12 0.00 2.24 0.02 -1.26 -4.91 135.00 130.46 2htl s PRO 8 Ca -0.13 1.45 -0.05 0.00 0.02 0.00 0.00 61.00 62.28 2htl s PRO 8 Cb 0.01 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.72 2htl s PRO 8 CO 0.40 -0.84 0.72 0.00 -0.33 0.00 0.00 177.00 176.95 2htl h ALA 9 N 8.44 -0.69 -4.23 -1.55 0.00 -1.82 -3.40 119.26 116.01 2htl h ALA 9 Ca -0.25 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 53.93 2htl h ALA 9 Cb 1.09 0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 2htl h ALA 9 CO 1.00 -0.67 -0.83 0.42 0.00 0.00 0.00 179.25 179.16 2htl s ILE 10 N -2.74 2.57 -0.06 0.00 1.09 -1.26 0.05 121.20 120.84 2htl s ILE 10 Ca -0.03 -1.04 -0.18 0.00 -1.10 0.00 0.00 60.65 58.30 2htl s ILE 10 Cb 0.00 -1.99 0.04 0.00 -1.06 0.00 0.00 42.46 39.45 2htl s ILE 10 CO 0.09 0.50 0.41 0.00 -0.10 0.00 0.00 174.94 175.83 2htl s MET 11 N -0.94 0.69 0.06 2.79 0.23 -0.10 -4.94 119.30 117.09 2htl s MET 11 Ca 0.12 0.12 0.08 0.00 -1.03 0.00 0.00 55.69 54.98 2htl s MET 11 Cb -0.10 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 2htl s MET 11 CO 0.01 -0.17 -0.22 -1.12 -2.03 0.00 0.00 175.02 171.49 2htl s SER 12 N -0.86 3.55 -0.25 -1.18 0.01 -1.25 0.58 113.70 114.30 2htl s SER 12 Ca -0.09 -0.53 -0.17 0.00 1.31 0.00 0.00 55.95 56.47 2htl s SER 12 Cb -0.04 -0.46 0.07 0.00 0.21 0.00 0.00 66.02 65.80 2htl s SER 12 CO 0.04 0.24 0.63 0.00 0.41 0.00 0.00 173.24 174.56 2htl s ALA 13 N -0.92 -1.64 0.78 1.44 0.00 -0.68 -4.75 121.76 115.99 2htl s ALA 13 Ca 0.14 2.06 -0.13 0.00 0.00 0.00 0.00 51.96 54.04 2htl s ALA 13 Cb -0.10 -1.21 0.07 0.00 0.00 0.00 0.00 23.12 21.87 2htl s ALA 13 CO 0.05 -0.33 1.15 0.00 0.00 0.00 0.00 175.76 176.62 2htl s ALA 14 N 1.13 2.03 0.09 0.00 0.00 -1.26 -3.02 121.76 120.74 2htl s ALA 14 Ca -0.06 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 2htl s ALA 14 Cb -0.05 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2htl s ALA 14 CO -0.11 -1.99 1.56 -2.14 0.00 0.00 0.00 175.76 173.08 2htl s PRO 15 N -4.38 4.23 0.00 0.00 0.02 -1.26 -3.95 135.00 129.66 2htl s PRO 15 Ca 0.68 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.96 2htl s PRO 15 Cb -0.23 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.86 2htl s PRO 15 CO 0.51 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 2htl n GLY 16 N 3.82 0.43 3.41 0.52 0.00 0.18 -4.90 105.19 108.65 2htl n GLY 16 Ca 0.14 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 2htl n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2htl s ASP 17 N -2.16 -0.47 -0.69 1.61 -1.08 -1.25 -4.71 116.67 107.92 2htl s ASP 17 Ca 0.00 0.43 -0.24 0.00 -0.52 0.00 0.00 52.55 52.22 2htl s ASP 17 Cb 0.00 0.46 0.06 0.00 -1.46 0.00 0.00 42.92 41.98 2htl s ASP 17 CO 0.00 -0.57 1.06 -0.75 0.52 0.00 0.00 175.17 175.43 2htl s LYS 18 N -1.42 3.14 -0.16 4.34 2.20 -1.25 -1.99 119.74 124.60 2htl s LYS 18 Ca -0.11 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 54.76 2htl s LYS 18 Cb -0.02 -4.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 2htl s LYS 18 CO 0.06 -1.91 0.03 0.08 -0.36 0.00 0.00 175.35 173.25 2htl s VAL 19 N 4.52 4.53 -0.06 4.02 1.01 -0.10 -4.92 120.40 129.40 2htl s VAL 19 Ca 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2htl s VAL 19 Cb -0.14 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.27 2htl s VAL 19 CO 0.11 0.49 0.09 -0.89 0.00 0.00 0.00 175.10 174.90 2htl s THR 20 N 0.15 -0.15 -0.12 3.92 2.01 -1.26 0.43 115.64 120.63 2htl s THR 20 Ca 0.03 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.40 2htl s THR 20 Cb -0.13 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 2htl s THR 20 CO 0.01 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.88 2htl s MET 21 N 2.20 3.22 0.65 4.92 0.23 -0.61 -4.96 119.30 124.95 2htl s MET 21 Ca 0.04 -0.78 -0.11 0.00 -1.03 0.00 0.00 55.69 53.82 2htl s MET 21 Cb -0.12 -2.48 -0.01 0.00 -1.53 0.00 0.00 34.83 30.69 2htl s MET 21 CO -0.04 0.20 1.04 0.99 -2.03 0.00 0.00 175.02 175.18 2htl s THR 22 N 0.34 4.06 -0.38 3.16 2.01 -1.26 -1.82 115.64 121.74 2htl s THR 22 Ca -0.15 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2htl s THR 22 Cb -0.17 -3.65 0.16 0.00 0.01 0.00 0.00 72.50 68.85 2htl s THR 22 CO 0.07 -0.84 0.40 0.00 -0.69 0.00 0.00 174.62 173.57 2htl s SER 24 N 1.39 6.36 0.54 0.00 0.01 -1.16 -2.52 113.70 118.32 2htl s SER 24 Ca 0.18 0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.45 2htl s SER 24 Cb -0.14 -2.27 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 2htl s SER 24 CO -0.03 -0.40 1.06 0.00 0.41 0.00 0.00 173.24 174.28 2htl s ALA 25 N 2.37 2.79 -2.22 1.44 0.00 -0.74 -2.11 121.76 123.29 2htl s ALA 25 Ca 0.20 0.55 0.30 0.00 0.00 0.00 0.00 51.96 53.01 2htl s ALA 25 Cb -0.15 -3.26 1.50 0.00 0.00 0.00 0.00 23.12 21.21 2htl s ALA 25 CO 0.12 -0.59 2.00 -1.13 0.00 0.00 0.00 175.76 176.15 2htl n SER 26 N -1.46 0.67 0.00 0.00 3.41 -0.41 -4.86 113.62 110.97 2htl n SER 26 Ca 0.09 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2htl n SER 26 Cb 0.52 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2htl n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2htl n SER 27 N -0.47 0.00 -4.55 4.04 7.64 -1.26 -4.93 113.62 114.10 2htl n SER 27 Ca 0.21 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 2htl n SER 27 Cb 0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 2htl n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2htl s SER 28 N 1.55 6.22 0.19 6.43 0.15 -1.26 -4.38 113.70 122.60 2htl s SER 28 Ca 0.00 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.55 2htl s SER 28 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2htl s SER 28 CO 0.00 -0.39 -0.17 0.68 1.20 0.00 0.00 173.24 174.56 2htl s VAL 29 N 2.14 1.86 0.03 4.45 -7.23 0.03 -4.81 120.40 116.87 2htl s VAL 29 Ca 0.14 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2htl s VAL 29 Cb -0.16 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 2htl s VAL 29 CO 0.12 -0.43 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.48 2htl s SER 30 N -3.00 0.61 -0.78 4.85 1.04 -1.26 -3.68 113.70 111.47 2htl s SER 30 Ca 0.20 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 2htl s SER 30 Cb -0.04 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2htl s SER 30 CO 0.08 -0.17 0.62 -1.22 0.98 0.00 0.00 173.24 173.53 2htl n TYR 31 N 1.86 -2.28 -1.99 5.02 4.02 -1.26 -4.29 117.16 118.23 2htl n TYR 31 Ca -0.21 0.92 -0.28 0.00 -0.01 0.00 0.00 57.90 58.32 2htl n TYR 31 Cb 0.56 -2.99 0.11 0.00 -0.02 0.00 0.00 39.34 37.00 2htl n TYR 31 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2htl s ILE 32 N -2.90 2.05 0.02 -0.72 -5.25 -1.26 -4.14 121.20 109.01 2htl s ILE 32 Ca 0.03 -0.07 0.03 0.00 -0.99 0.00 0.00 60.65 59.64 2htl s ILE 32 Cb -0.00 -2.98 -0.02 0.00 2.95 0.00 0.00 42.46 42.41 2htl s ILE 32 CO 0.87 0.00 -0.09 -1.00 -1.79 0.00 0.00 174.94 172.93 2htl s HIS 33 N -3.59 0.75 -0.02 1.37 3.76 0.99 -0.23 115.29 118.33 2htl s HIS 33 Ca 0.65 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.27 2htl s HIS 33 Cb -0.09 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 2htl s HIS 33 CO 0.49 -0.03 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.70 2htl s TRP 34 N -0.80 2.87 -0.06 1.40 0.52 0.58 0.44 118.94 123.89 2htl s TRP 34 Ca -0.03 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.08 2htl s TRP 34 Cb -0.07 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2htl s TRP 34 CO 0.00 0.34 -0.14 0.71 0.02 0.00 0.00 176.95 177.88 2htl s TYR 35 N -0.93 1.60 -0.25 -1.98 1.51 0.17 -0.41 117.35 117.07 2htl s TYR 35 Ca 0.15 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 2htl s TYR 35 Cb -0.11 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2htl s TYR 35 CO 0.05 -0.26 0.42 -1.14 -1.11 0.00 0.00 175.55 173.52 2htl s GLN 36 N 0.47 4.07 -0.37 -0.62 0.74 -0.51 0.29 119.66 123.73 2htl s GLN 36 Ca -0.12 0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.45 2htl s GLN 36 Cb -0.15 -3.63 0.10 0.00 1.10 0.00 0.00 33.01 30.44 2htl s GLN 36 CO 0.04 -0.24 0.11 -1.14 -0.55 0.00 0.00 175.29 173.51 2htl s GLN 37 N 1.96 1.78 0.48 1.67 0.74 0.31 -1.73 119.66 124.87 2htl s GLN 37 Ca 0.18 -1.81 -0.21 0.00 0.05 0.00 0.00 55.36 53.57 2htl s GLN 37 Cb -0.15 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.50 2htl s GLN 37 CO 0.09 -0.98 1.05 0.15 -0.55 0.00 0.00 175.29 175.05 2htl s LYS 38 N 1.03 3.81 -0.23 1.67 1.02 -1.26 -1.90 119.74 123.87 2htl s LYS 38 Ca 0.08 1.40 -0.32 0.00 0.02 0.00 0.00 55.97 57.16 2htl s LYS 38 Cb -0.21 -2.14 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 2htl s LYS 38 CO -0.06 -0.43 2.14 0.43 -0.92 0.00 0.00 175.35 176.51 2htl n SER 39 N -0.89 2.93 0.00 2.83 7.64 -1.26 -2.22 113.62 122.64 2htl n SER 39 Ca 0.09 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2htl n SER 39 Cb 0.52 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2htl n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2htl n GLY 40 N 5.75 0.63 3.32 0.23 0.00 -1.26 -5.08 105.19 108.78 2htl n GLY 40 Ca 0.32 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2htl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2htl s THR 41 N -2.00 0.05 0.19 2.61 -1.32 -0.94 -5.14 115.64 109.09 2htl s THR 41 Ca 0.00 -1.57 -0.33 0.00 -1.21 0.00 0.00 61.69 58.58 2htl s THR 41 Cb 0.00 -2.03 -0.14 0.00 -1.51 0.00 0.00 72.50 68.82 2htl s THR 41 CO 0.00 -0.23 1.51 -1.20 -2.21 0.00 0.00 174.62 172.49 2htl n SER 42 N -0.23 2.96 -4.67 8.08 7.64 -1.26 -4.61 113.62 121.53 2htl n SER 42 Ca -0.05 1.11 -0.44 0.00 1.01 0.00 0.00 58.87 60.50 2htl n SER 42 Cb 0.63 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 2htl n SER 42 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2htl n PRO 43 N 2.87 2.70 -4.08 1.43 -0.02 -1.26 -4.72 135.00 131.92 2htl n PRO 43 Ca 0.15 0.99 -0.31 0.00 -2.02 0.00 0.00 63.50 62.30 2htl n PRO 43 Cb 0.30 -2.91 -0.07 0.00 -0.02 0.00 0.00 33.50 30.80 2htl n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2htl s LYS 44 N 3.97 2.92 -0.11 -0.52 1.02 -0.70 -4.96 119.74 121.35 2htl s LYS 44 Ca 0.88 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 2htl s LYS 44 Cb -0.50 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2htl s LYS 44 CO 0.43 0.59 1.21 0.50 -0.92 0.00 0.00 175.35 177.16 2htl s ARG 45 N -2.17 4.30 -0.06 1.68 3.52 -1.26 -1.43 118.95 123.54 2htl s ARG 45 Ca 0.27 1.64 -0.07 0.00 -0.13 0.00 0.00 55.73 57.45 2htl s ARG 45 Cb -0.12 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 2htl s ARG 45 CO 0.19 -0.56 -0.13 1.87 -0.81 0.00 0.00 175.30 175.86 2htl n TRP 46 N 5.81 0.00 -4.53 5.12 -0.00 0.46 -4.84 117.44 119.46 2htl n TRP 46 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.35 2htl n TRP 46 Cb 0.46 -0.19 -0.13 0.00 -0.00 0.00 0.00 31.31 31.44 2htl n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2htl s ILE 47 N -1.85 1.96 0.03 5.87 1.09 -0.88 -2.96 121.20 124.46 2htl s ILE 47 Ca -0.11 -1.50 -0.11 0.00 -1.10 0.00 0.00 60.65 57.83 2htl s ILE 47 Cb 0.02 -1.72 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2htl s ILE 47 CO 0.16 0.14 0.23 -0.72 -0.10 0.00 0.00 174.94 174.65 2htl s TYR 48 N -0.97 -0.01 -1.18 3.97 -0.85 -0.97 0.22 117.35 117.55 2htl s TYR 48 Ca 0.10 -0.14 -0.06 0.00 -0.52 0.00 0.00 57.07 56.45 2htl s TYR 48 Cb -0.10 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 2htl s TYR 48 CO 0.04 -0.43 0.83 -0.25 -1.52 0.00 0.00 175.55 174.22 2htl n ASP 49 N 0.80 -3.70 0.00 -0.18 8.00 -0.14 -1.01 116.55 120.32 2htl n ASP 49 Ca -0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2htl n ASP 49 Cb 0.58 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 2htl n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2htl n THR 50 N -3.94 0.00 -0.60 -3.53 -1.04 0.67 -4.21 114.28 101.64 2htl n THR 50 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2htl n THR 50 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2htl n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2htl n SER 51 N 0.04 0.00 -4.71 8.00 3.41 -1.15 -2.59 113.62 116.62 2htl n SER 51 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2htl n SER 51 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2htl n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2htl s LYS 52 N 0.00 4.58 -0.06 4.33 1.02 -0.18 -4.21 119.74 125.22 2htl s LYS 52 Ca 0.00 1.41 -0.28 0.00 0.02 0.00 0.00 55.97 57.12 2htl s LYS 52 Cb 0.00 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2htl s LYS 52 CO 0.00 -0.01 0.94 -0.51 -0.92 0.00 0.00 175.35 174.85 2htl s LEU 53 N 0.85 4.30 0.65 3.17 1.43 -1.26 -2.30 118.68 125.53 2htl s LEU 53 Ca 0.51 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 2htl s LEU 53 Cb -0.21 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 2htl s LEU 53 CO 0.28 -0.32 1.05 -0.89 0.23 0.00 0.00 176.35 176.70 2htl s THR 54 N 1.44 4.08 -0.03 5.49 2.01 -1.16 -4.95 115.64 122.52 2htl s THR 54 Ca 0.47 0.62 -0.36 0.00 0.31 0.00 0.00 61.69 62.73 2htl s THR 54 Cb -0.19 -3.66 -0.15 0.00 0.01 0.00 0.00 72.50 68.51 2htl s THR 54 CO 0.22 -0.85 1.62 -0.24 -0.69 0.00 0.00 174.62 174.67 2htl n SER 55 N -2.85 2.58 0.00 3.53 2.88 -1.26 -2.07 113.62 116.44 2htl n SER 55 Ca 0.06 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 2htl n SER 55 Cb 0.56 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2htl n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2htl n GLY 56 N 3.59 2.72 3.69 0.46 0.00 -1.26 -5.06 105.19 109.32 2htl n GLY 56 Ca 0.21 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2htl n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2htl s VAL 57 N -1.38 2.81 0.56 1.61 1.01 -0.88 -4.97 120.40 119.16 2htl s VAL 57 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2htl s VAL 57 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2htl s VAL 57 CO 0.00 -0.00 1.34 -2.16 0.00 0.00 0.00 175.10 174.28 2htl s PRO 58 N 2.78 3.08 0.15 2.72 0.04 -1.26 -4.90 135.00 137.61 2htl s PRO 58 Ca 0.78 2.18 0.20 0.00 0.04 0.00 0.00 61.00 64.20 2htl s PRO 58 Cb -0.43 -2.20 0.83 0.00 0.04 0.00 0.00 34.50 32.75 2htl s PRO 58 CO 0.34 -1.22 1.61 1.33 0.04 0.00 0.00 177.00 179.10 2htl n VAL 59 N -1.14 0.90 0.02 -0.36 0.24 -1.26 -2.62 118.33 114.12 2htl n VAL 59 Ca 0.11 0.24 0.02 0.00 -2.04 0.00 0.00 64.34 62.67 2htl n VAL 59 Cb 0.46 -1.10 0.08 0.00 -1.47 0.00 0.00 33.84 31.81 2htl n VAL 59 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2htl n ARG 60 N -1.94 0.02 -3.90 7.34 1.85 -1.26 -4.60 116.66 114.17 2htl n ARG 60 Ca 0.03 0.50 -0.29 0.00 -1.00 0.00 0.00 57.85 57.08 2htl n ARG 60 Cb 0.20 -1.59 -0.04 0.00 -1.05 0.00 0.00 32.46 29.99 2htl n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2htl s PHE 61 N -3.04 3.50 -0.29 2.89 0.40 -1.08 -1.71 117.98 118.66 2htl s PHE 61 Ca -0.00 0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 56.30 2htl s PHE 61 Cb 0.01 -1.75 0.18 0.00 0.51 0.00 0.00 43.02 41.97 2htl s PHE 61 CO 0.03 0.54 1.37 -1.54 0.70 0.00 0.00 175.22 176.32 2htl s SER 62 N -2.79 -0.10 0.37 1.36 1.04 -1.02 -4.98 113.70 107.58 2htl s SER 62 Ca 0.35 0.19 0.06 0.00 0.48 0.00 0.00 55.95 57.03 2htl s SER 62 Cb -0.12 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.11 2htl s SER 62 CO 0.28 -0.04 0.03 -0.83 0.98 0.00 0.00 173.24 173.66 2htl s GLY 63 N -0.12 2.29 0.00 7.32 0.00 -1.26 -0.04 107.32 115.51 2htl s GLY 63 Ca 0.07 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.61 2htl s GLY 63 CO -0.13 -1.96 0.00 -1.14 0.00 0.00 0.00 173.10 169.87 2htl n SER 64 N -0.83 0.00 0.00 1.64 3.41 -0.60 -4.46 113.62 112.78 2htl n SER 64 Ca -0.04 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 2htl n SER 64 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2htl n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2htl n GLY 65 N 0.00 0.78 3.82 5.00 0.00 -1.26 -1.52 105.19 112.02 2htl n GLY 65 Ca 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 43.87 2htl n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2htl s SER 66 N 0.00 -0.04 0.00 1.61 1.04 -0.49 -4.90 113.70 110.92 2htl s SER 66 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2htl s SER 66 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2htl s SER 66 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2htl n GLY 67 N -0.65 1.43 0.00 7.32 0.00 -1.24 -2.21 105.19 109.83 2htl n GLY 67 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2htl n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2htl n THR 68 N 0.00 0.00 -3.67 2.61 5.66 -1.26 -0.79 114.28 116.83 2htl n THR 68 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2htl n THR 68 Cb 0.00 1.24 -0.10 0.00 -1.55 0.00 0.00 70.33 69.92 2htl n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2htl s SER 69 N 0.00 -0.28 0.20 1.09 0.15 -0.94 -1.79 113.70 112.14 2htl s SER 69 Ca 0.00 0.93 0.03 0.00 0.70 0.00 0.00 55.95 57.61 2htl s SER 69 Cb 0.00 1.14 -0.05 0.00 -1.71 0.00 0.00 66.02 65.40 2htl s SER 69 CO 0.00 -0.22 -0.01 -0.31 1.20 0.00 0.00 173.24 173.90 2htl s TYR 70 N 2.26 1.42 -0.17 3.44 1.51 -1.05 -1.39 117.35 123.36 2htl s TYR 70 Ca -0.04 -0.94 -0.25 0.00 -1.01 0.00 0.00 57.07 54.84 2htl s TYR 70 Cb -0.11 -0.80 0.06 0.00 -0.11 0.00 0.00 41.96 41.00 2htl s TYR 70 CO -0.12 -0.08 0.64 -1.54 -1.11 0.00 0.00 175.55 173.33 2htl s SER 71 N -3.25 -0.64 0.05 2.29 1.04 -0.57 -0.35 113.70 112.26 2htl s SER 71 Ca 0.26 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.70 2htl s SER 71 Cb 0.05 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.17 2htl s SER 71 CO 0.06 -0.35 0.29 -0.22 0.98 0.00 0.00 173.24 174.00 2htl s LEU 72 N -0.20 4.35 0.02 2.42 0.20 -0.76 -1.56 118.68 123.15 2htl s LEU 72 Ca -0.04 0.55 0.02 0.00 0.69 0.00 0.00 54.13 55.34 2htl s LEU 72 Cb -0.03 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.86 2htl s LEU 72 CO 0.04 0.20 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.35 2htl s THR 73 N -1.40 0.40 -0.20 3.68 2.01 0.94 -1.57 115.64 119.50 2htl s THR 73 Ca 0.31 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2htl s THR 73 Cb -0.13 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.00 2htl s THR 73 CO 0.19 -0.14 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.22 2htl s ILE 74 N -0.71 1.85 -0.34 1.82 1.01 0.17 -2.44 121.20 122.56 2htl s ILE 74 Ca -0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 2htl s ILE 74 Cb -0.06 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 2htl s ILE 74 CO -0.00 0.25 0.38 0.21 0.00 0.00 0.00 174.94 175.78 2htl s ASN 75 N 1.32 6.20 -0.20 3.58 2.47 -0.69 -0.92 114.94 126.69 2htl s ASN 75 Ca -0.01 -0.21 -0.06 0.00 0.42 0.00 0.00 52.86 53.00 2htl s ASN 75 Cb -0.16 -2.21 0.02 0.00 -1.45 0.00 0.00 41.25 37.46 2htl s ASN 75 CO -0.09 -0.36 0.13 0.41 -3.72 0.00 0.00 177.10 173.47 2htl n THR 76 N 5.27-11.14 -2.90 -5.21 -1.04 -1.17 -4.69 114.28 93.39 2htl n THR 76 Ca -0.08 2.06 -0.42 0.00 -2.04 0.00 0.00 64.05 63.57 2htl n THR 76 Cb 0.49 -6.28 -0.04 0.00 -1.82 0.00 0.00 70.33 62.68 2htl n THR 76 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2htl s MET 77 N -1.00 4.23 0.38 -2.82 1.75 -0.84 -4.70 119.30 116.30 2htl s MET 77 Ca -0.15 0.96 -0.04 0.00 -1.25 0.00 0.00 55.69 55.21 2htl s MET 77 Cb 0.01 -3.61 0.08 0.00 2.84 0.00 0.00 34.83 34.15 2htl s MET 77 CO 0.68 -0.42 0.51 0.39 -0.65 0.00 0.00 175.02 175.53 2htl n GLU 78 N 5.62 -0.16 0.11 4.11 -0.58 -1.26 0.50 120.64 128.98 2htl n GLU 78 Ca 0.05 -1.03 -0.12 0.00 -0.42 0.00 0.00 57.16 55.63 2htl n GLU 78 Cb 0.48 -0.45 -0.08 0.00 -0.57 0.00 0.00 31.44 30.82 2htl n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2htl h ALA 79 N -1.26 -0.31 0.00 0.62 0.00 -1.98 -3.23 119.26 113.10 2htl h ALA 79 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2htl h ALA 79 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2htl h ALA 79 CO 0.14 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.09 2htl n GLU 80 N -5.04 0.16 -0.03 0.00 0.28 -1.26 -3.08 120.64 111.67 2htl n GLU 80 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.93 2htl n GLU 80 Cb 0.26 -1.06 -0.12 0.00 1.43 0.00 0.00 31.44 31.94 2htl n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2htl n ASP 81 N 0.23 1.28 -4.60 -1.84 9.92 -1.22 -4.92 116.55 115.41 2htl n ASP 81 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 2htl n ASP 81 Cb 0.03 1.40 -0.02 0.00 -0.64 0.00 0.00 41.12 41.89 2htl n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2htl s ALA 82 N -2.83 3.06 0.00 2.24 0.00 -1.18 -4.90 121.76 118.15 2htl s ALA 82 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2htl s ALA 82 Cb 0.08 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2htl s ALA 82 CO 0.65 -2.37 0.00 0.00 0.00 0.00 0.00 175.76 174.05 2htl n ALA 83 N 8.76 0.00 -3.36 0.00 0.00 -1.05 -4.91 120.51 119.95 2htl n ALA 83 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 2htl n ALA 83 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 2htl n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2htl s THR 84 N -1.91 3.19 -0.21 0.00 2.01 -0.80 0.35 115.64 118.28 2htl s THR 84 Ca 0.00 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 2htl s THR 84 Cb 0.00 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 2htl s THR 84 CO 0.00 0.47 0.13 -0.31 -0.69 0.00 0.00 174.62 174.23 2htl s TYR 85 N 0.98 3.39 -0.26 4.92 1.51 0.13 -0.53 117.35 127.48 2htl s TYR 85 Ca -0.01 0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2htl s TYR 85 Cb -0.15 -2.18 0.06 0.00 -0.11 0.00 0.00 41.96 39.59 2htl s TYR 85 CO -0.00 0.24 -0.10 0.71 -1.11 0.00 0.00 175.55 175.29 2htl s TYR 86 N 0.49 3.25 0.50 2.71 1.51 0.14 -0.72 117.35 125.23 2htl s TYR 86 Ca 0.08 -2.33 -0.19 0.00 -1.01 0.00 0.00 57.07 53.62 2htl s TYR 86 Cb -0.12 -1.95 -0.08 0.00 -0.11 0.00 0.00 41.96 39.71 2htl s TYR 86 CO -0.01 -0.88 1.01 0.00 -1.11 0.00 0.00 175.55 174.57 2htl s GLN 88 N -3.50 0.57 0.23 0.00 -0.44 0.17 0.01 119.66 116.70 2htl s GLN 88 Ca 0.64 1.10 0.04 0.00 -2.50 0.00 0.00 55.36 54.64 2htl s GLN 88 Cb -0.14 0.18 -0.03 0.00 -1.64 0.00 0.00 33.01 31.38 2htl s GLN 88 CO 0.23 -0.17 0.36 1.14 0.50 0.00 0.00 175.29 177.36 2htl s GLN 89 N 1.77 3.45 -0.06 1.67 1.03 -0.89 -0.00 119.66 126.62 2htl s GLN 89 Ca -0.09 -0.70 0.14 0.00 0.04 0.00 0.00 55.36 54.76 2htl s GLN 89 Cb -0.07 -2.88 0.27 0.00 0.03 0.00 0.00 33.01 30.35 2htl s GLN 89 CO -0.17 0.42 1.13 1.87 -2.54 0.00 0.00 175.29 176.01 2htl n TRP 90 N -1.29 -0.07 0.05 9.60 -0.00 -1.26 -3.26 117.44 121.20 2htl n TRP 90 Ca -0.08 -0.78 -0.19 0.00 -0.00 0.00 0.00 57.50 56.45 2htl n TRP 90 Cb 0.56 0.25 -0.09 0.00 -0.00 0.00 0.00 31.31 32.04 2htl n TRP 90 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2htl h SER 91 N 0.78 0.83 -3.32 5.87 4.64 -1.88 -3.43 113.55 117.04 2htl h SER 91 Ca -0.37 -0.67 -0.66 0.00 -0.47 0.00 0.00 61.79 59.62 2htl h SER 91 Cb 1.59 -0.26 -0.28 0.00 -0.31 0.00 0.00 62.40 63.15 2htl h SER 91 CO -0.07 1.47 -0.78 -0.44 -0.87 0.00 0.00 176.83 176.14 2htl s SER 92 N -7.25 3.89 -0.02 4.97 0.01 -1.26 -4.97 113.70 109.06 2htl s SER 92 Ca -0.09 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2htl s SER 92 Cb 0.07 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 2htl s SER 92 CO 0.91 0.15 0.43 -2.28 0.41 0.00 0.00 173.24 172.86 2htl s HIS 93 N 0.44 3.69 0.11 2.43 2.46 -1.26 -3.30 115.29 119.85 2htl s HIS 93 Ca -0.11 0.99 -0.27 0.00 0.47 0.00 0.00 55.06 56.14 2htl s HIS 93 Cb -0.16 -2.36 -0.06 0.00 -0.13 0.00 0.00 32.58 29.87 2htl s HIS 93 CO 0.05 0.53 0.86 -1.25 -2.47 0.00 0.00 174.74 172.46 2htl s PRO 94 N -0.70 4.62 0.56 2.88 0.04 -1.26 -4.98 135.00 136.16 2htl s PRO 94 Ca 0.24 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 2htl s PRO 94 Cb -0.17 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.92 2htl s PRO 94 CO 0.13 0.32 0.26 0.00 0.04 0.00 0.00 177.00 177.75 2htl n GLN 95 N 2.48 0.30 -3.95 4.56 0.00 -1.21 -4.57 117.38 114.99 2htl n GLN 95 Ca -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 57.00 57.01 2htl n GLN 95 Cb 0.49 -1.43 -0.10 0.00 0.00 0.00 0.00 30.24 29.20 2htl n GLN 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2htl s THR 96 N -1.84 0.12 0.21 -0.39 -4.23 -1.20 -5.02 115.64 103.29 2htl s THR 96 Ca 0.64 -1.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2htl s THR 96 Cb -0.45 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 2htl s THR 96 CO 0.59 -0.56 0.13 -0.36 -0.54 0.00 0.00 174.62 173.89 2htl s PHE 97 N -2.05 3.06 0.73 3.99 0.08 -1.26 -2.10 117.98 120.43 2htl s PHE 97 Ca -0.10 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2htl s PHE 97 Cb -0.05 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2htl s PHE 97 CO -0.02 0.53 1.08 0.20 -0.10 0.00 0.00 175.22 176.90 2htl s GLY 98 N -3.41 1.64 0.66 4.36 0.00 0.10 -4.42 107.32 106.25 2htl s GLY 98 Ca 0.31 -0.15 0.41 0.00 0.00 0.00 0.00 44.72 45.30 2htl s GLY 98 CO 0.23 0.22 2.33 -1.33 0.00 0.00 0.00 173.10 174.55 2htl h GLY 99 N -0.82 0.00 0.00 0.20 0.00 -1.89 -3.45 103.07 97.11 2htl h GLY 99 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2htl h GLY 99 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2htl n GLY 100 N -1.13 2.33 2.98 4.60 0.00 -1.26 -4.99 105.19 107.72 2htl n GLY 100 Ca -0.03 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 2htl n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2htl s THR 101 N -2.02 1.42 -0.51 2.61 2.01 0.10 -4.64 115.64 114.62 2htl s THR 101 Ca 0.00 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2htl s THR 101 Cb 0.00 -1.41 0.06 0.00 0.01 0.00 0.00 72.50 71.16 2htl s THR 101 CO 0.00 0.36 0.65 -0.75 -0.69 0.00 0.00 174.62 174.18 2htl s LYS 102 N 1.53 3.14 -0.01 4.92 2.20 0.11 0.21 119.74 131.84 2htl s LYS 102 Ca 0.04 -0.83 -0.20 0.00 -0.36 0.00 0.00 55.97 54.62 2htl s LYS 102 Cb -0.14 -4.09 -0.05 0.00 -1.51 0.00 0.00 37.83 32.04 2htl s LYS 102 CO -0.09 -1.23 0.58 -1.17 -0.36 0.00 0.00 175.35 173.07 2htl s LEU 103 N 2.72 4.41 -0.00 5.43 2.96 0.16 -0.92 118.68 133.43 2htl s LEU 103 Ca 0.16 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2htl s LEU 103 Cb -0.19 -2.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 2htl s LEU 103 CO 0.13 0.10 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.56 2htl s GLU 104 N -0.16 0.72 -0.33 1.98 2.02 0.20 -2.53 118.70 120.59 2htl s GLU 104 Ca 0.30 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 2htl s GLU 104 Cb -0.18 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 2htl s GLU 104 CO 0.16 0.18 1.91 0.42 0.02 0.00 0.00 175.26 177.96 2htl s ILE 105 N -0.32 3.35 0.43 -1.63 1.09 -1.26 -1.69 121.20 121.18 2htl s ILE 105 Ca 0.03 0.35 -0.24 0.00 -1.10 0.00 0.00 60.65 59.68 2htl s ILE 105 Cb -0.04 -3.51 -0.08 0.00 -1.06 0.00 0.00 42.46 37.77 2htl s ILE 105 CO -0.00 -0.35 1.14 -0.22 -0.10 0.00 0.00 174.94 175.41 2htl s LEU 106 N 7.55 4.10 0.34 2.97 0.20 -1.17 -4.81 118.68 127.86 2htl s LEU 106 Ca 0.84 2.25 -0.08 0.00 0.69 0.00 0.00 54.13 57.84 2htl s LEU 106 Cb -0.24 -4.16 0.02 0.00 -0.43 0.00 0.00 46.19 41.38 2htl s LEU 106 CO 0.33 -0.74 0.57 0.00 -0.29 0.00 0.00 176.35 176.21 2htl s ARG 107 N -2.53 1.97 0.28 1.98 1.70 -1.26 -4.31 118.95 116.78 2htl s ARG 107 Ca 0.60 -1.60 -0.29 0.00 -0.47 0.00 0.00 55.73 53.96 2htl s ARG 107 Cb -0.28 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 2htl s ARG 107 CO 0.34 -0.85 1.41 0.00 -1.08 0.00 0.00 175.30 175.12 2htl s ALA 108 N -2.96 3.59 0.44 7.88 0.00 -1.26 -4.96 121.76 124.49 2htl s ALA 108 Ca 0.25 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.32 2htl s ALA 108 Cb -0.02 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 2htl s ALA 108 CO 0.16 -0.74 0.54 -0.25 0.00 0.00 0.00 175.76 175.47 2htl n ASP 109 N 1.75 -0.91 -3.70 0.00 9.92 -1.26 -4.75 116.55 117.59 2htl n ASP 109 Ca 0.04 0.89 -0.16 0.00 -0.53 0.00 0.00 54.79 55.03 2htl n ASP 109 Cb 0.41 -1.12 -0.16 0.00 -0.64 0.00 0.00 41.12 39.61 2htl n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2htl s ALA 110 N -1.51 -0.13 0.21 2.24 0.00 -0.33 -4.86 121.76 117.39 2htl s ALA 110 Ca 0.64 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 2htl s ALA 110 Cb -0.58 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 2htl s ALA 110 CO 0.58 -0.38 1.00 0.00 0.00 0.00 0.00 175.76 176.96 2htl s ALA 111 N 1.81 3.34 0.20 0.00 0.00 -1.26 -2.35 121.76 123.51 2htl s ALA 111 Ca -0.02 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.32 2htl s ALA 111 Cb -0.12 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 2htl s ALA 111 CO -0.05 0.02 1.73 -0.35 0.00 0.00 0.00 175.76 177.11 2htl n PRO 112 N 1.80 2.77 -2.81 0.00 -0.04 -1.26 -4.73 135.00 130.73 2htl n PRO 112 Ca -0.00 1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 64.03 2htl n PRO 112 Cb 0.47 -2.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 2htl n PRO 112 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2htl s THR 113 N 1.30 4.23 0.02 0.52 2.01 -0.42 -4.87 115.64 118.42 2htl s THR 113 Ca 0.76 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 2htl s THR 113 Cb -0.51 -4.72 -0.06 0.00 0.01 0.00 0.00 72.50 67.23 2htl s THR 113 CO 0.33 -1.52 0.64 -0.69 -0.69 0.00 0.00 174.62 172.69 2htl s VAL 114 N 4.34 4.84 -0.05 3.82 1.01 -1.26 -2.40 120.40 130.69 2htl s VAL 114 Ca 0.24 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 2htl s VAL 114 Cb -0.15 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2htl s VAL 114 CO 0.11 0.41 -0.01 -0.44 0.00 0.00 0.00 175.10 175.17 2htl s SER 115 N -0.23 1.06 0.01 3.32 0.01 -0.87 -5.00 113.70 112.00 2htl s SER 115 Ca 0.33 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2htl s SER 115 Cb -0.19 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2htl s SER 115 CO 0.19 -0.12 0.03 -0.51 0.41 0.00 0.00 173.24 173.24 2htl s ILE 116 N 1.38 4.36 -0.02 1.44 -1.16 -1.26 -0.25 121.20 125.69 2htl s ILE 116 Ca -0.04 -0.57 0.02 0.00 -0.51 0.00 0.00 60.65 59.55 2htl s ILE 116 Cb -0.13 -2.98 -0.00 0.00 0.61 0.00 0.00 42.46 39.96 2htl s ILE 116 CO -0.02 0.34 -0.08 -0.36 -2.81 0.00 0.00 174.94 172.00 2htl s PHE 117 N -1.15 0.80 -0.01 3.50 0.40 0.61 -5.00 117.98 117.14 2htl s PHE 117 Ca 0.21 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.15 2htl s PHE 117 Cb -0.12 -0.56 -0.05 0.00 0.51 0.00 0.00 43.02 42.81 2htl s PHE 117 CO 0.12 -0.06 0.66 -1.25 0.70 0.00 0.00 175.22 175.40 2htl s PRO 118 N 0.04 4.39 -0.23 0.24 0.05 -1.26 -3.25 135.00 134.99 2htl s PRO 118 Ca -0.00 0.85 -0.41 0.00 0.05 0.00 0.00 61.00 61.49 2htl s PRO 118 Cb -0.06 -3.37 -0.19 0.00 0.05 0.00 0.00 34.50 30.93 2htl s PRO 118 CO -0.00 0.27 1.24 -2.30 0.05 0.00 0.00 177.00 176.27 2htl n PRO 119 N 3.00 0.00 -0.82 0.56 -0.01 -1.18 -4.86 135.00 131.69 2htl n PRO 119 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 63.50 63.12 2htl n PRO 119 Cb 0.51 -1.41 0.14 0.00 -0.01 0.00 0.00 33.50 32.73 2htl n PRO 119 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 2htl n SER 120 N 2.54 -0.29 0.02 2.55 3.41 -1.26 -4.85 113.62 115.74 2htl n SER 120 Ca 0.24 0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 59.25 2htl n SER 120 Cb 0.01 -1.39 0.22 0.00 -0.26 0.00 0.00 64.21 62.79 2htl n SER 120 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2htl h SER 121 N -1.54 0.46 0.28 4.04 4.64 -1.99 -2.95 113.55 116.49 2htl h SER 121 Ca -0.44 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 60.62 2htl h SER 121 Cb 1.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2htl h SER 121 CO 0.40 0.70 -0.46 -0.33 -0.87 0.00 0.00 176.83 176.27 2htl h GLU 122 N 0.41 0.22 -0.46 4.77 3.07 -1.95 -1.15 114.58 119.49 2htl h GLU 122 Ca 0.06 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 2htl h GLU 122 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2htl h GLU 122 CO 0.05 0.64 -0.14 0.37 -1.40 0.00 0.00 179.01 178.52 2htl h GLN 123 N 0.18 0.92 -0.71 2.33 4.15 -1.83 -2.99 115.11 117.16 2htl h GLN 123 Ca 0.01 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 2htl h GLN 123 Cb 0.88 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2htl h GLN 123 CO 0.07 1.02 0.29 -0.07 -1.93 0.00 0.00 178.83 178.21 2htl h LEU 124 N 0.76 0.95 -1.76 -2.39 3.38 -1.31 -1.56 115.31 113.38 2htl h LEU 124 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2htl h LEU 124 Cb 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2htl h LEU 124 CO 0.05 0.84 0.00 0.41 0.09 0.00 0.00 178.44 179.83 2htl n THR 125 N -4.30 0.04 -0.04 0.22 -1.04 -0.47 -0.64 114.28 108.05 2htl n THR 125 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2htl n THR 125 Cb 0.17 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 2htl n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2htl n SER 126 N 0.86 0.00 0.00 8.00 7.64 -0.60 -5.02 113.62 124.50 2htl n SER 126 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2htl n SER 126 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2htl n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2htl n GLY 127 N 0.00 0.87 3.60 0.23 0.00 0.19 -5.01 105.19 105.06 2htl n GLY 127 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2htl n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2htl s GLY 128 N -1.78 1.75 -0.16 -0.02 0.00 -1.17 -0.11 107.32 105.83 2htl s GLY 128 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 2htl s GLY 128 CO 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 173.10 172.26 2htl s ALA 129 N -0.98 0.91 -0.23 3.20 0.00 0.16 -2.95 121.76 121.87 2htl s ALA 129 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2htl s ALA 129 Cb -0.11 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2htl s ALA 129 CO 0.07 -0.99 0.01 -1.12 0.00 0.00 0.00 175.76 173.73 2htl s SER 130 N 1.90 4.73 -0.76 0.00 0.01 -1.26 0.71 113.70 119.02 2htl s SER 130 Ca 0.01 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 56.84 2htl s SER 130 Cb -0.16 -1.83 0.19 0.00 0.21 0.00 0.00 66.02 64.43 2htl s SER 130 CO -0.07 -0.01 0.73 -0.69 0.41 0.00 0.00 173.24 173.61 2htl s VAL 131 N 1.43 5.42 0.10 3.43 1.01 0.50 -3.07 120.40 129.22 2htl s VAL 131 Ca 0.05 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.61 2htl s VAL 131 Cb -0.15 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 2htl s VAL 131 CO 0.00 -1.04 1.16 -0.69 0.00 0.00 0.00 175.10 174.54 2htl s VAL 132 N 0.80 4.01 -0.09 2.92 1.01 -1.20 -1.78 120.40 126.07 2htl s VAL 132 Ca 0.15 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 2htl s VAL 132 Cb -0.15 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2htl s VAL 132 CO -0.06 0.17 -0.02 0.00 0.00 0.00 0.00 175.10 175.19 2htl s PHE 134 N 1.89 3.73 -0.35 0.00 0.08 0.66 -0.51 117.98 123.49 2htl s PHE 134 Ca 0.05 1.13 0.04 0.00 0.12 0.00 0.00 56.93 58.26 2htl s PHE 134 Cb -0.13 -2.44 0.10 0.00 -0.57 0.00 0.00 43.02 39.98 2htl s PHE 134 CO -0.06 0.54 0.06 -0.51 -0.10 0.00 0.00 175.22 175.15 2htl s LEU 135 N -0.80 4.65 -0.15 -0.37 1.43 0.64 -2.05 118.68 122.03 2htl s LEU 135 Ca 0.27 -2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 51.14 2htl s LEU 135 Cb -0.18 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2htl s LEU 135 CO 0.16 -0.37 -0.04 0.20 0.23 0.00 0.00 176.35 176.53 2htl s ASN 136 N 0.86 4.80 -0.25 2.29 0.02 -1.01 -0.32 114.94 121.34 2htl s ASN 136 Ca 0.11 -0.12 -0.07 0.00 -1.02 0.00 0.00 52.86 51.77 2htl s ASN 136 Cb -0.19 -1.77 0.01 0.00 0.02 0.00 0.00 41.25 39.32 2htl s ASN 136 CO -0.08 0.18 0.32 0.59 0.02 0.00 0.00 177.10 178.12 2htl n ASN 137 N 3.47 -5.02 -3.79 -1.22 3.02 -0.35 -1.30 115.26 110.07 2htl n ASN 137 Ca -0.17 0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 2htl n ASN 137 Cb 0.52 -3.24 -0.13 0.00 -0.61 0.00 0.00 39.78 36.33 2htl n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2htl s PHE 138 N -2.05 -0.21 -0.02 3.10 -0.12 -0.53 -4.32 117.98 113.83 2htl s PHE 138 Ca 0.10 0.52 0.05 0.00 -0.05 0.00 0.00 56.93 57.56 2htl s PHE 138 Cb -0.03 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 2htl s PHE 138 CO 0.39 -0.13 -0.18 -0.47 -0.05 0.00 0.00 175.22 174.78 2htl s TYR 139 N 0.50 1.71 0.93 3.49 6.14 -0.99 -1.77 117.35 127.36 2htl s TYR 139 Ca -0.03 -0.38 -0.14 0.00 0.64 0.00 0.00 57.07 57.16 2htl s TYR 139 Cb -0.05 -1.11 0.19 0.00 0.42 0.00 0.00 41.96 41.41 2htl s TYR 139 CO -0.02 -0.07 1.29 -1.25 0.64 0.00 0.00 175.55 176.13 2htl s PRO 140 N -0.29 0.77 0.50 4.97 0.04 -1.26 -1.18 135.00 138.55 2htl s PRO 140 Ca 0.04 -0.48 0.19 0.00 0.04 0.00 0.00 61.00 60.79 2htl s PRO 140 Cb -0.09 -1.90 1.27 0.00 0.04 0.00 0.00 34.50 33.82 2htl s PRO 140 CO 0.00 -2.30 2.08 1.57 0.04 0.00 0.00 177.00 178.40 2htl h LYS 141 N -1.51 0.00 -6.37 4.56 2.10 -1.99 -3.43 116.57 109.93 2htl h LYS 141 Ca -0.44 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.68 2htl h LYS 141 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2htl h LYS 141 CO 0.39 0.10 1.12 -0.51 -2.00 0.00 0.00 179.45 178.55 2htl s ASP 142 N -6.74 6.55 0.03 7.07 1.01 -1.26 -4.99 116.67 118.34 2htl s ASP 142 Ca -0.04 2.50 -0.15 0.00 0.71 0.00 0.00 52.55 55.57 2htl s ASP 142 Cb 0.15 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.57 2htl s ASP 142 CO 0.65 -0.97 0.33 -0.51 0.21 0.00 0.00 175.17 174.88 2htl s ILE 143 N 3.70 0.07 0.04 0.77 2.07 -1.26 -4.48 121.20 122.11 2htl s ILE 143 Ca 0.79 -0.57 0.08 0.00 -1.41 0.00 0.00 60.65 59.55 2htl s ILE 143 Cb -0.39 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 2htl s ILE 143 CO 0.35 -0.31 -0.23 0.20 -1.91 0.00 0.00 174.94 173.03 2htl s ASN 144 N -1.84 3.40 0.10 4.50 0.01 -0.19 -5.00 114.94 115.92 2htl s ASN 144 Ca -0.07 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 2htl s ASN 144 Cb -0.02 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 2htl s ASN 144 CO -0.01 0.26 -0.12 0.54 -1.51 0.00 0.00 177.10 176.26 2htl s VAL 145 N -0.85 1.07 -0.28 1.60 0.11 -1.26 -0.69 120.40 120.09 2htl s VAL 145 Ca 0.13 -1.61 -0.16 0.00 -2.93 0.00 0.00 61.98 57.40 2htl s VAL 145 Cb -0.10 -1.36 0.09 0.00 -1.53 0.00 0.00 36.38 33.48 2htl s VAL 145 CO 0.03 -0.47 0.73 -0.75 -3.33 0.00 0.00 175.10 171.31 2htl s LYS 146 N -2.60 0.67 0.01 1.54 2.20 -0.82 -5.01 119.74 115.73 2htl s LYS 146 Ca 0.05 1.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.77 2htl s LYS 146 Cb -0.04 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2htl s LYS 146 CO 0.01 -0.14 0.20 -1.58 -0.36 0.00 0.00 175.35 173.48 2htl s TRP 147 N 1.55 3.55 -0.33 4.03 0.52 -1.26 -0.61 118.94 126.39 2htl s TRP 147 Ca -0.10 0.36 -0.00 0.00 0.02 0.00 0.00 56.10 56.39 2htl s TRP 147 Cb -0.05 -1.84 0.11 0.00 -1.15 0.00 0.00 33.47 30.54 2htl s TRP 147 CO -0.19 0.63 0.12 0.15 0.02 0.00 0.00 176.95 177.68 2htl s LYS 148 N -2.05 0.84 -0.34 4.98 1.02 0.33 -1.61 119.74 122.91 2htl s LYS 148 Ca 0.29 -1.27 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 2htl s LYS 148 Cb -0.13 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 2htl s LYS 148 CO 0.20 -1.01 0.89 0.42 -0.92 0.00 0.00 175.35 174.93 2htl s ILE 149 N 1.38 4.66 -1.24 2.17 1.01 -0.10 0.03 121.20 129.10 2htl s ILE 149 Ca 0.11 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.98 2htl s ILE 149 Cb -0.18 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 2htl s ILE 149 CO -0.20 -0.42 0.78 0.47 0.00 0.00 0.00 174.94 175.57 2htl n ASP 150 N 6.55 -2.33 0.00 3.58 10.43 0.58 -1.85 116.55 133.51 2htl n ASP 150 Ca 0.06 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.63 2htl n ASP 150 Cb 0.48 -4.29 0.00 0.00 1.84 0.00 0.00 41.12 39.15 2htl n ASP 150 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2htl n GLY 151 N -1.47 0.00 3.72 0.44 0.00 -1.25 -4.92 105.19 101.70 2htl n GLY 151 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2htl n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2htl s SER 152 N -1.79 5.71 0.50 1.61 0.15 -0.77 -4.98 113.70 114.13 2htl s SER 152 Ca 0.00 0.22 -0.23 0.00 0.70 0.00 0.00 55.95 56.63 2htl s SER 152 Cb 0.00 -1.82 -0.06 0.00 -1.71 0.00 0.00 66.02 62.43 2htl s SER 152 CO 0.00 0.32 1.40 -0.70 1.20 0.00 0.00 173.24 175.45 2htl s GLU 153 N -0.50 3.40 -0.00 5.44 2.12 -1.26 -0.93 118.70 126.97 2htl s GLU 153 Ca 0.10 2.33 0.02 0.00 0.36 0.00 0.00 54.97 57.79 2htl s GLU 153 Cb -0.12 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 2htl s GLU 153 CO 0.02 -1.02 -0.07 0.50 -0.54 0.00 0.00 175.26 174.15 2htl s ARG 154 N -2.69 0.55 0.00 4.30 6.06 -0.64 -4.82 118.95 121.72 2htl s ARG 154 Ca 0.66 -0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 2htl s ARG 154 Cb -0.42 -0.52 0.00 0.00 0.06 0.00 0.00 34.95 34.07 2htl s ARG 154 CO 0.52 0.14 0.07 1.04 -2.50 0.00 0.00 175.30 174.57 2htl n GLN 155 N 2.81 2.12 -3.57 5.12 6.02 -1.26 -4.06 117.38 124.56 2htl n GLN 155 Ca -0.14 -0.07 -0.37 0.00 -0.01 0.00 0.00 57.00 56.41 2htl n GLN 155 Cb 0.57 -0.38 -0.06 0.00 1.02 0.00 0.00 30.24 31.39 2htl n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2htl s ASN 156 N -0.32 6.60 -0.57 1.08 -0.87 -1.26 -4.27 114.94 115.33 2htl s ASN 156 Ca 0.00 0.71 0.00 0.00 -1.57 0.00 0.00 52.86 52.00 2htl s ASN 156 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 39.03 2htl s ASN 156 CO 0.00 0.24 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 2htl n GLY 157 N 2.48 0.63 3.71 0.66 0.00 -1.26 -4.73 105.19 106.68 2htl n GLY 157 Ca -0.14 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 2htl n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2htl s VAL 158 N -2.23 5.39 -0.05 1.61 1.01 -1.26 -1.17 120.40 123.69 2htl s VAL 158 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2htl s VAL 158 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2htl s VAL 158 CO 0.00 0.41 -0.07 -0.76 0.00 0.00 0.00 175.10 174.68 2htl s LEU 159 N 0.53 1.43 -0.00 3.92 1.43 -0.43 -4.97 118.68 120.59 2htl s LEU 159 Ca 0.09 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2htl s LEU 159 Cb -0.12 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 2htl s LEU 159 CO 0.00 -0.03 -0.23 0.20 0.23 0.00 0.00 176.35 176.53 2htl s ASN 160 N 0.84 3.35 -0.27 2.29 0.01 -1.26 -1.01 114.94 118.90 2htl s ASN 160 Ca -0.12 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.58 2htl s ASN 160 Cb -0.15 -0.46 0.13 0.00 0.41 0.00 0.00 41.25 41.19 2htl s ASN 160 CO 0.01 0.30 0.32 -0.55 -1.51 0.00 0.00 177.10 175.67 2htl s SER 161 N -0.89 1.18 0.26 -1.22 0.15 -0.72 -4.97 113.70 107.50 2htl s SER 161 Ca 0.11 -0.47 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 2htl s SER 161 Cb -0.10 0.70 -0.09 0.00 -1.71 0.00 0.00 66.02 64.81 2htl s SER 161 CO 0.01 -0.36 0.92 0.26 1.20 0.00 0.00 173.24 175.27 2htl s TRP 162 N 2.42 3.87 0.76 3.44 0.51 -1.26 -2.16 118.94 126.51 2htl s TRP 162 Ca 0.10 1.83 -0.11 0.00 -2.12 0.00 0.00 56.10 55.80 2htl s TRP 162 Cb -0.14 -2.93 0.04 0.00 -0.81 0.00 0.00 33.47 29.63 2htl s TRP 162 CO -0.27 0.37 1.08 0.95 -0.51 0.00 0.00 176.95 178.57 2htl s THR 163 N -1.34 3.46 0.90 2.01 -4.23 0.17 -4.97 115.64 111.64 2htl s THR 163 Ca 0.44 0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.31 2htl s THR 163 Cb -0.23 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.53 2htl s THR 163 CO 0.28 -0.62 1.09 -1.81 -0.54 0.00 0.00 174.62 173.02 2htl s ASP 164 N -3.84 3.49 0.28 3.99 -0.00 -1.26 -4.58 116.67 114.75 2htl s ASP 164 Ca 0.60 1.46 -0.29 0.00 -0.00 0.00 0.00 52.55 54.31 2htl s ASP 164 Cb -0.14 -2.14 -0.14 0.00 -0.00 0.00 0.00 42.92 40.50 2htl s ASP 164 CO 0.55 -2.62 1.20 1.67 -0.00 0.00 0.00 175.17 175.96 2htl n GLN 165 N -3.87 1.70 -2.08 8.23 7.27 -1.26 -4.77 117.38 122.60 2htl n GLN 165 Ca 0.07 0.60 -0.32 0.00 0.07 0.00 0.00 57.00 57.42 2htl n GLN 165 Cb 0.55 -2.11 -0.00 0.00 2.41 0.00 0.00 30.24 31.09 2htl n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2htl s ASP 166 N -0.23 6.21 -0.20 1.69 2.15 0.13 -4.95 116.67 121.48 2htl s ASP 166 Ca 0.62 1.58 0.13 0.00 0.43 0.00 0.00 52.55 55.30 2htl s ASP 166 Cb -0.67 -2.50 0.41 0.00 -0.30 0.00 0.00 42.92 39.86 2htl s ASP 166 CO 0.57 -0.87 1.26 -1.54 -0.17 0.00 0.00 175.17 174.42 2htl n SER 167 N -2.18 2.15 0.00 -0.34 3.41 -1.26 -2.14 113.62 113.26 2htl n SER 167 Ca 0.07 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 2htl n SER 167 Cb 0.54 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2htl n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2htl n LYS 168 N -1.17 2.46 0.00 4.33 4.76 -1.26 -4.81 118.16 122.47 2htl n LYS 168 Ca 0.21 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.32 2htl n LYS 168 Cb 0.75 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 2htl n LYS 168 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2htl n ASP 169 N -0.42 0.00 -2.64 4.39 5.68 -1.26 -5.00 116.55 117.29 2htl n ASP 169 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.15 2htl n ASP 169 Cb 0.27 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2htl n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2htl n SER 170 N 0.00 -3.83 -3.76 -1.12 7.64 -0.91 -4.97 113.62 106.67 2htl n SER 170 Ca 0.00 0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 2htl n SER 170 Cb 0.00 -3.23 0.06 0.00 -1.01 0.00 0.00 64.21 60.03 2htl n SER 170 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2htl n THR 171 N -3.50 0.00 -4.43 0.44 -2.24 -1.26 -4.64 114.28 98.65 2htl n THR 171 Ca -0.11 -1.12 -0.22 0.00 -2.27 0.00 0.00 64.05 60.32 2htl n THR 171 Cb 0.59 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 2htl n THR 171 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2htl s TYR 172 N -1.66 2.02 -0.05 4.78 1.51 -0.73 -0.69 117.35 122.54 2htl s TYR 172 Ca 0.41 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2htl s TYR 172 Cb -0.03 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2htl s TYR 172 CO 0.27 0.45 0.10 -1.12 -1.11 0.00 0.00 175.55 174.14 2htl s SER 173 N -3.44 -0.04 -0.01 2.29 0.01 -1.26 -1.22 113.70 110.02 2htl s SER 173 Ca 0.28 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.79 2htl s SER 173 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 2htl s SER 173 CO 0.12 -0.13 -0.16 -0.32 0.41 0.00 0.00 173.24 173.15 2htl s MET 174 N 1.05 1.32 -0.14 12.44 0.00 0.57 0.45 119.30 134.99 2htl s MET 174 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 55.69 55.04 2htl s MET 174 Cb -0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 34.83 33.45 2htl s MET 174 CO -0.04 0.34 -0.16 -1.54 0.00 0.00 0.00 175.02 173.61 2htl s SER 175 N -0.36 3.64 -0.22 1.11 1.04 -0.92 -0.26 113.70 117.74 2htl s SER 175 Ca 0.06 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 2htl s SER 175 Cb -0.06 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.47 2htl s SER 175 CO -0.01 0.12 0.12 -0.55 0.98 0.00 0.00 173.24 173.91 2htl s SER 176 N 0.58 5.90 -0.19 7.02 0.15 0.34 -1.75 113.70 125.74 2htl s SER 176 Ca -0.10 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2htl s SER 176 Cb -0.16 -2.05 0.04 0.00 -1.71 0.00 0.00 66.02 62.14 2htl s SER 176 CO 0.03 0.09 -0.09 -0.89 1.20 0.00 0.00 173.24 173.59 2htl s THR 177 N 0.87 1.48 -0.23 6.45 2.01 -0.18 0.23 115.64 126.27 2htl s THR 177 Ca 0.06 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 2htl s THR 177 Cb -0.13 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2htl s THR 177 CO 0.03 0.16 0.19 -0.22 -0.69 0.00 0.00 174.62 174.09 2htl s LEU 178 N 1.47 4.13 -0.10 4.42 2.96 -0.73 -1.31 118.68 129.51 2htl s LEU 178 Ca -0.01 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2htl s LEU 178 Cb -0.16 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 2htl s LEU 178 CO -0.08 0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.98 2htl s THR 179 N 1.03 3.01 0.16 3.68 2.01 -0.32 0.19 115.64 125.39 2htl s THR 179 Ca 0.09 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2htl s THR 179 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2htl s THR 179 CO 0.04 0.55 0.04 -0.76 -0.69 0.00 0.00 174.62 173.80 2htl s LEU 180 N -0.01 1.87 0.49 4.42 1.43 0.22 -4.71 118.68 122.39 2htl s LEU 180 Ca -0.04 -1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 51.65 2htl s LEU 180 Cb -0.14 0.16 -0.09 0.00 0.03 0.00 0.00 46.19 46.15 2htl s LEU 180 CO 0.04 -0.68 1.00 0.42 0.23 0.00 0.00 176.35 177.37 2htl s THR 181 N -3.89 4.10 0.25 5.49 -4.23 -1.26 0.40 115.64 116.49 2htl s THR 181 Ca 0.25 1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.93 2htl s THR 181 Cb 0.07 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 70.62 2htl s THR 181 CO 0.04 -0.37 1.67 0.50 -0.54 0.00 0.00 174.62 175.92 2htl h LYS 182 N 1.42 0.22 0.72 3.99 3.64 -0.78 0.91 116.57 126.70 2htl h LYS 182 Ca -0.49 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2htl h LYS 182 Cb 1.20 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2htl h LYS 182 CO 0.60 0.15 -0.35 -0.44 -2.27 0.00 0.00 179.45 177.14 2htl h ASP 183 N 0.23 -0.82 -0.92 4.20 3.45 -1.93 -2.03 116.42 118.61 2htl h ASP 183 Ca 0.42 0.03 0.17 0.00 0.43 0.00 0.00 57.03 58.08 2htl h ASP 183 Cb 0.73 0.21 -0.17 0.00 -0.56 0.00 0.00 39.33 39.55 2htl h ASP 183 CO -0.54 -0.54 -0.26 1.21 -1.57 0.00 0.00 179.24 177.53 2htl n GLU 184 N -4.86 -0.12 -0.09 3.56 4.07 -0.71 -0.38 120.64 122.11 2htl n GLU 184 Ca -0.12 1.42 -0.06 0.00 -0.06 0.00 0.00 57.16 58.34 2htl n GLU 184 Cb 0.38 -2.12 0.12 0.00 -0.06 0.00 0.00 31.44 29.76 2htl n GLU 184 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 2htl h TYR 185 N 0.00 0.85 0.00 4.31 3.20 -0.84 -3.27 116.97 121.22 2htl h TYR 185 Ca 0.41 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2htl h TYR 185 Cb 0.64 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2htl h TYR 185 CO -0.73 0.86 -0.11 0.93 -1.64 0.00 0.00 178.16 177.47 2htl h GLU 186 N 0.69 0.00 -0.88 1.82 5.08 0.06 -2.77 114.58 118.57 2htl h GLU 186 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2htl h GLU 186 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2htl h GLU 186 CO 0.04 0.11 0.04 2.89 -1.00 0.00 0.00 179.01 181.10 2htl n ARG 187 N -3.20 2.16 -4.02 2.33 1.85 -1.08 -4.86 116.66 109.84 2htl n ARG 187 Ca 0.01 -1.05 -0.08 0.00 -1.00 0.00 0.00 57.85 55.73 2htl n ARG 187 Cb 0.43 -1.70 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 2htl n ARG 187 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2htl s HIS 188 N -1.51 0.39 0.08 2.89 3.76 -1.05 -5.11 115.29 114.74 2htl s HIS 188 Ca 0.18 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 2htl s HIS 188 Cb 0.14 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.55 2htl s HIS 188 CO 0.05 -0.37 0.00 -1.71 -0.85 0.00 0.00 174.74 171.86 2htl n ASN 189 N 0.39 0.53 -4.63 1.40 4.05 -1.26 -4.83 115.26 110.91 2htl n ASN 189 Ca -0.16 0.11 -0.42 0.00 0.45 0.00 0.00 54.58 54.56 2htl n ASN 189 Cb 0.60 -0.13 -0.03 0.00 1.23 0.00 0.00 39.78 41.45 2htl n ASN 189 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2htl s SER 190 N -5.49 6.81 -0.33 1.20 0.15 -1.26 -2.39 113.70 112.39 2htl s SER 190 Ca 0.00 0.87 0.03 0.00 0.70 0.00 0.00 55.95 57.55 2htl s SER 190 Cb 0.00 -2.48 0.10 0.00 -1.71 0.00 0.00 66.02 61.93 2htl s SER 190 CO 0.00 -0.75 0.05 -0.31 1.20 0.00 0.00 173.24 173.43 2htl s TYR 191 N 3.31 3.41 0.02 3.44 1.51 -0.76 0.21 117.35 128.50 2htl s TYR 191 Ca 0.39 -2.77 0.01 0.00 -1.01 0.00 0.00 57.07 53.70 2htl s TYR 191 Cb -0.13 -2.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 2htl s TYR 191 CO 0.14 -0.93 0.07 0.95 -1.11 0.00 0.00 175.55 174.67 2htl s THR 192 N 1.03 4.60 -0.22 -0.71 -4.23 0.10 -2.20 115.64 114.01 2htl s THR 192 Ca 0.10 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2htl s THR 192 Cb -0.19 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.56 2htl s THR 192 CO -0.11 0.28 -0.15 0.00 -0.54 0.00 0.00 174.62 174.10 2htl s GLU 194 N 1.22 3.54 -0.34 0.00 2.02 0.22 -1.68 118.70 123.68 2htl s GLU 194 Ca -0.02 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.40 2htl s GLU 194 Cb -0.16 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.02 2htl s GLU 194 CO -0.09 -0.11 0.08 0.00 0.02 0.00 0.00 175.26 175.15 2htl s ALA 195 N 1.33 2.95 -0.53 5.21 0.00 -1.18 -1.93 121.76 127.60 2htl s ALA 195 Ca 0.04 -2.04 -0.16 0.00 0.00 0.00 0.00 51.96 49.80 2htl s ALA 195 Cb -0.15 -2.12 0.12 0.00 0.00 0.00 0.00 23.12 20.97 2htl s ALA 195 CO 0.01 -1.47 0.49 0.99 0.00 0.00 0.00 175.76 175.78 2htl s THR 196 N 1.22 5.20 0.39 0.00 2.01 0.13 -1.97 115.64 122.62 2htl s THR 196 Ca 0.00 -1.40 0.08 0.00 0.31 0.00 0.00 61.69 60.68 2htl s THR 196 Cb -0.21 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 2htl s THR 196 CO -0.02 -0.83 0.38 -2.28 -0.69 0.00 0.00 174.62 171.18 2htl s HIS 197 N 1.65 2.80 0.18 4.92 2.46 -1.26 -1.02 115.29 125.02 2htl s HIS 197 Ca 0.04 -0.41 0.33 0.00 0.47 0.00 0.00 55.06 55.48 2htl s HIS 197 Cb -0.29 -2.07 1.39 0.00 -0.13 0.00 0.00 32.58 31.48 2htl s HIS 197 CO 0.04 -0.05 2.00 -0.22 -2.47 0.00 0.00 174.74 174.03 2htl h LYS 198 N 1.04 0.00 0.00 2.88 3.64 -1.95 -3.19 116.57 119.00 2htl h LYS 198 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2htl h LYS 198 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2htl h LYS 198 CO 0.56 0.05 0.00 0.25 -2.27 0.00 0.00 179.45 178.04 2htl n THR 199 N -3.18 0.41 -4.00 1.00 -2.24 -1.26 -4.83 114.28 100.17 2htl n THR 199 Ca 0.00 0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 2htl n THR 199 Cb 0.30 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 2htl n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2htl s SER 200 N -2.63 0.10 -0.05 3.42 0.15 -1.21 -5.01 113.70 108.47 2htl s SER 200 Ca 0.18 -1.05 0.12 0.00 0.70 0.00 0.00 55.95 55.89 2htl s SER 200 Cb 0.14 0.62 -0.17 0.00 -1.71 0.00 0.00 66.02 64.89 2htl s SER 200 CO 0.32 -1.21 0.19 0.35 1.20 0.00 0.00 173.24 174.10 2htl n THR 201 N -0.42 0.25 -3.88 6.45 -2.24 -1.26 -4.70 114.28 108.48 2htl n THR 201 Ca -0.02 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 2htl n THR 201 Cb 0.62 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.65 2htl n THR 201 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2htl s SER 202 N -3.72 4.83 0.53 3.42 1.04 -1.26 -5.07 113.70 113.47 2htl s SER 202 Ca -0.05 -0.26 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 2htl s SER 202 Cb 0.06 -1.85 -0.05 0.00 0.10 0.00 0.00 66.02 64.28 2htl s SER 202 CO 0.49 -0.01 1.36 -0.81 0.98 0.00 0.00 173.24 175.26 2htl n PRO 203 N 4.72 1.76 -2.57 4.02 -0.04 -1.26 -4.96 135.00 136.66 2htl n PRO 203 Ca -0.17 0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 2htl n PRO 203 Cb 0.51 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 2htl n PRO 203 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2htl s ILE 204 N -1.28 3.83 0.22 0.52 1.09 -0.83 -4.85 121.20 119.90 2htl s ILE 204 Ca 0.70 -0.06 -0.30 0.00 -1.10 0.00 0.00 60.65 59.89 2htl s ILE 204 Cb -0.42 -4.96 -0.08 0.00 -1.06 0.00 0.00 42.46 35.93 2htl s ILE 204 CO 0.50 -1.87 0.93 0.68 -0.10 0.00 0.00 174.94 175.09 2htl s VAL 205 N 5.36 4.16 -0.09 2.92 -7.23 -1.26 -3.10 120.40 121.15 2htl s VAL 205 Ca 0.38 2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 62.58 2htl s VAL 205 Cb -0.05 -4.32 0.05 0.00 0.56 0.00 0.00 36.38 32.62 2htl s VAL 205 CO 0.06 0.47 0.17 -0.54 -0.31 0.00 0.00 175.10 174.95 2htl s LYS 206 N -1.00 0.06 0.32 4.82 -0.14 -0.68 -4.99 119.74 118.13 2htl s LYS 206 Ca 0.42 0.56 0.06 0.00 -1.36 0.00 0.00 55.97 55.64 2htl s LYS 206 Cb -0.25 -0.22 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 2htl s LYS 206 CO 0.31 -0.28 0.31 -1.13 -0.76 0.00 0.00 175.35 173.80 2htl n SER 207 N 5.14 -0.80 -3.48 2.83 3.41 -1.26 -0.91 113.62 118.55 2htl n SER 207 Ca -0.08 -3.05 -0.14 0.00 -0.26 0.00 0.00 58.87 55.34 2htl n SER 207 Cb 0.50 1.76 -0.04 0.00 -0.26 0.00 0.00 64.21 66.18 2htl n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2htl s PHE 208 N -3.24 -0.55 -0.08 7.33 -0.12 -0.93 -5.00 117.98 115.39 2htl s PHE 208 Ca 0.36 0.64 -0.02 0.00 -0.05 0.00 0.00 56.93 57.86 2htl s PHE 208 Cb 0.01 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2htl s PHE 208 CO 0.26 -0.69 0.01 -0.80 -0.05 0.00 0.00 175.22 173.95 2htl s ASN 209 N -2.01 5.26 0.08 1.98 0.01 -1.26 -1.82 114.94 117.19 2htl s ASN 209 Ca -0.03 0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 51.96 2htl s ASN 209 Cb -0.01 -1.48 -0.15 0.00 0.41 0.00 0.00 41.25 40.02 2htl s ASN 209 CO -0.03 0.37 1.64 0.03 -1.51 0.00 0.00 177.10 177.61 2htl h ARG 210 N 5.09 -0.65 0.00 -0.60 3.08 -1.79 -3.50 114.38 116.01 2htl h ARG 210 Ca -0.51 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2htl h ARG 210 Cb 1.19 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2htl h ARG 210 CO 0.55 -0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.01