#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hha s PRO 2 N 0.00 0.52 0.36 0.00 0.02 -1.26 -4.92 135.00 129.73 3hha s PRO 2 Ca 0.00 1.38 0.19 0.00 0.02 0.00 0.00 61.00 62.59 3hha s PRO 2 Cb 0.00 -1.68 0.51 0.00 0.02 0.00 0.00 34.50 33.35 3hha s PRO 2 CO 0.00 -2.91 1.65 0.00 -0.33 0.00 0.00 177.00 175.40 3hha h ARG 3 N -2.07 0.00 -3.59 5.54 3.08 -2.02 -3.45 114.38 111.87 3hha h ARG 3 Ca -0.48 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.46 3hha h ARG 3 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.16 3hha h ARG 3 CO 0.44 0.35 -0.40 -1.54 -1.07 0.00 0.00 179.97 177.75 3hha s SER 4 N -6.35 0.05 -0.01 7.04 1.04 -1.26 -4.50 113.70 109.71 3hha s SER 4 Ca 0.02 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 3hha s SER 4 Cb 0.09 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3hha s SER 4 CO 0.69 -0.57 0.04 -0.69 0.98 0.00 0.00 173.24 173.69 3hha s VAL 5 N -2.68 -0.00 -0.30 5.02 1.01 -0.38 -4.95 120.40 118.12 3hha s VAL 5 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hha s VAL 5 Cb -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 36.38 36.45 3hha s VAL 5 CO -0.05 0.00 0.28 -0.62 0.00 0.00 0.00 175.10 174.72 3hha s ASP 6 N 0.02 1.90 0.36 3.32 -1.08 -1.26 -1.31 116.67 118.63 3hha s ASP 6 Ca -0.00 -1.01 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 3hha s ASP 6 Cb -0.00 0.36 1.20 0.00 -1.46 0.00 0.00 42.92 43.02 3hha s ASP 6 CO 0.00 -0.37 1.81 -0.50 0.52 0.00 0.00 175.17 176.63 3hha h TRP 7 N 8.05 0.00 -0.49 -5.34 4.06 -1.49 -2.44 115.95 118.30 3hha h TRP 7 Ca -0.10 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 3hha h TRP 7 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 3hha h TRP 7 CO 0.29 0.00 0.21 0.00 -3.56 0.00 0.00 178.44 175.39 3hha h ARG 8 N 0.00 0.68 0.00 0.49 3.08 -1.94 -2.00 114.38 114.69 3hha h ARG 8 Ca 0.00 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3hha h ARG 8 Cb 0.32 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hha h ARG 8 CO 0.00 0.55 -0.13 0.93 -1.07 0.00 0.00 179.97 180.25 3hha h GLU 9 N 0.68 0.00 -0.13 0.04 4.39 -1.84 -2.92 114.58 114.80 3hha h GLU 9 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3hha h GLU 9 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3hha h GLU 9 CO -0.02 0.13 0.00 1.63 -1.16 0.00 0.00 179.01 179.59 3hha n LYS 10 N -3.72 2.29 -0.47 2.33 4.76 -0.77 -4.96 118.16 117.62 3hha n LYS 10 Ca -0.02 -1.89 0.00 0.00 -2.87 0.00 0.00 58.31 53.53 3hha n LYS 10 Cb 0.24 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3hha n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hha n GLY 11 N 1.37 0.75 0.05 0.72 0.00 -1.10 -4.97 105.19 102.01 3hha n GLY 11 Ca 0.16 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3hha n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hha n TYR 12 N -2.47 0.00 -4.40 1.61 4.02 -1.12 -4.70 117.16 110.10 3hha n TYR 12 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3hha n TYR 12 Cb 0.00 -0.26 -0.17 0.00 -0.02 0.00 0.00 39.34 38.89 3hha n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hha s VAL 13 N -2.86 1.15 0.82 -0.72 1.01 -1.26 -3.56 120.40 114.98 3hha s VAL 13 Ca 0.16 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3hha s VAL 13 Cb 0.18 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.57 3hha s VAL 13 CO 0.62 0.37 1.11 0.42 0.00 0.00 0.00 175.10 177.61 3hha s THR 14 N 0.96 2.83 0.98 3.92 -4.23 -1.26 -4.97 115.64 113.86 3hha s THR 14 Ca -0.09 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3hha s THR 14 Cb -0.15 -3.04 0.16 0.00 1.34 0.00 0.00 72.50 70.81 3hha s THR 14 CO 0.00 -0.35 1.00 -2.65 -0.54 0.00 0.00 174.62 172.08 3hha n PRO 15 N -3.47 -0.87 -1.93 3.99 -0.02 -1.26 -4.93 135.00 126.52 3hha n PRO 15 Ca 0.07 -0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.94 3hha n PRO 15 Cb 0.57 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3hha n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hha s VAL 16 N -2.56 2.46 0.51 -1.45 1.01 -1.26 -5.03 120.40 114.08 3hha s VAL 16 Ca 0.66 0.38 0.07 0.00 0.00 0.00 0.00 61.98 63.08 3hha s VAL 16 Cb -0.23 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 32.94 3hha s VAL 16 CO 0.61 0.06 0.45 -0.54 0.00 0.00 0.00 175.10 175.67 3hha s LYS 17 N -0.26 2.33 -0.14 2.72 1.02 -1.26 -4.73 119.74 119.42 3hha s LYS 17 Ca 0.62 -1.83 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 3hha s LYS 17 Cb -0.44 -2.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.67 3hha s LYS 17 CO 0.44 -0.53 0.04 1.21 -0.92 0.00 0.00 175.35 175.59 3hha s ASN 18 N -4.29 2.30 0.12 2.83 3.84 -1.26 -1.32 114.94 117.16 3hha s ASN 18 Ca 0.42 -0.51 0.22 0.00 0.21 0.00 0.00 52.86 53.20 3hha s ASN 18 Cb -0.03 -0.45 0.87 0.00 -0.55 0.00 0.00 41.25 41.09 3hha s ASN 18 CO 0.26 -0.28 1.67 0.00 -2.79 0.00 0.00 177.10 175.96 3hha n GLN 19 N 5.14 0.10 0.00 0.43 10.64 0.14 -4.92 117.38 128.91 3hha n GLN 19 Ca -0.08 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 3hha n GLN 19 Cb 0.49 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3hha n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hha n GLY 20 N 0.45 0.73 2.78 2.61 0.00 -1.26 -3.73 105.19 106.77 3hha n GLY 20 Ca 0.04 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3hha n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hha n GLN 21 N 0.63 4.60 -3.71 1.61 1.13 -1.26 -4.86 117.38 115.52 3hha n GLN 21 Ca 0.00 -4.19 -0.11 0.00 -1.94 0.00 0.00 57.00 50.76 3hha n GLN 21 Cb 0.00 -2.60 -0.11 0.00 0.11 0.00 0.00 30.24 27.64 3hha n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hha n GLY 23 N 3.79 3.75 1.13 0.00 0.00 -0.12 -4.50 105.19 109.24 3hha n GLY 23 Ca -0.20 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.54 3hha n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hha n SER 24 N 3.24 4.27 -0.35 1.61 3.41 -1.26 -3.01 113.62 121.53 3hha n SER 24 Ca 0.65 -2.91 0.14 0.00 -0.26 0.00 0.00 58.87 56.48 3hha n SER 24 Cb 0.45 -0.56 0.33 0.00 -0.26 0.00 0.00 64.21 64.18 3hha n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hha h TRP 26 N 0.70 0.64 -0.15 0.00 5.08 -1.83 0.30 115.95 120.69 3hha h TRP 26 Ca 0.59 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 60.37 3hha h TRP 26 Cb 0.98 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.94 3hha h TRP 26 CO -0.01 0.34 -0.73 0.00 -1.28 0.00 0.00 178.44 176.75 3hha h ALA 27 N 1.65 0.42 -0.42 0.11 0.00 -1.14 -1.63 119.26 118.24 3hha h ALA 27 Ca 0.29 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3hha h ALA 27 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hha h ALA 27 CO -0.09 0.70 -0.13 0.74 0.00 0.00 0.00 179.25 180.47 3hha h PHE 28 N 0.49 0.95 -0.57 0.00 -1.00 -1.16 -0.51 116.94 115.13 3hha h PHE 28 Ca -0.04 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.54 3hha h PHE 28 Cb 1.34 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.64 3hha h PHE 28 CO 0.07 0.96 0.37 1.03 -1.61 0.00 0.00 178.31 179.13 3hha h SER 29 N 0.66 0.63 -0.24 2.17 0.87 -0.96 -0.91 113.55 115.77 3hha h SER 29 Ca 0.10 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3hha h SER 29 Cb 0.67 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3hha h SER 29 CO 0.05 0.45 0.01 0.00 -0.53 0.00 0.00 176.83 176.80 3hha h ALA 30 N 1.22 0.33 -0.63 6.23 0.00 -1.14 -1.84 119.26 123.43 3hha h ALA 30 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hha h ALA 30 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hha h ALA 30 CO -0.06 0.05 0.22 1.79 0.00 0.00 0.00 179.25 181.25 3hha h THR 31 N 0.21 1.23 -0.54 0.00 1.35 -1.03 -0.75 112.91 113.37 3hha h THR 31 Ca 0.07 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 3hha h THR 31 Cb 0.40 0.51 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 3hha h THR 31 CO 0.01 0.30 0.31 1.23 -0.25 0.00 0.00 175.52 177.12 3hha h GLY 32 N 1.02 0.80 1.12 5.82 0.00 -0.88 0.30 103.07 111.25 3hha h GLY 32 Ca 0.21 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 3hha h GLY 32 CO -0.01 0.34 -0.17 0.00 0.00 0.00 0.00 176.54 176.70 3hha h ALA 33 N 1.14 0.73 -0.09 3.60 0.00 -0.98 -2.37 119.26 121.29 3hha h ALA 33 Ca 0.19 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3hha h ALA 33 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hha h ALA 33 CO -0.03 0.68 -0.66 1.25 0.00 0.00 0.00 179.25 180.48 3hha h LEU 34 N 0.89 0.41 -0.58 0.00 5.85 -0.93 -1.86 115.31 119.09 3hha h LEU 34 Ca 0.13 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3hha h LEU 34 Cb 0.74 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3hha h LEU 34 CO 0.06 0.96 0.18 -0.33 -0.34 0.00 0.00 178.44 178.96 3hha h GLU 35 N 0.25 0.32 -0.25 1.25 5.08 -0.30 0.10 114.58 121.03 3hha h GLU 35 Ca -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3hha h GLU 35 Cb 1.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3hha h GLU 35 CO 0.11 0.21 -0.01 0.78 -1.00 0.00 0.00 179.01 179.11 3hha h GLY 36 N 0.33 0.48 1.64 -3.84 0.00 -1.17 -1.71 103.07 98.81 3hha h GLY 36 Ca 0.30 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 3hha h GLY 36 CO -0.33 0.33 -0.52 1.46 0.00 0.00 0.00 176.54 177.48 3hha h GLN 37 N 0.22 0.38 -0.78 4.80 1.08 -1.06 -1.25 115.11 118.49 3hha h GLN 37 Ca 0.07 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3hha h GLN 37 Cb 0.43 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3hha h GLN 37 CO 0.01 0.81 0.33 0.52 -0.95 0.00 0.00 178.83 179.56 3hha h MET 38 N 0.30 1.16 -0.52 1.46 2.86 -0.79 -1.71 114.93 117.68 3hha h MET 38 Ca 0.01 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3hha h MET 38 Cb 1.02 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3hha h MET 38 CO 0.09 0.92 0.22 0.35 1.06 0.00 0.00 176.91 179.55 3hha h PHE 39 N 1.12 0.79 -1.00 -0.22 3.57 -0.96 0.56 116.94 120.81 3hha h PHE 39 Ca 0.26 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3hha h PHE 39 Cb 0.18 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 3hha h PHE 39 CO 0.02 0.65 0.64 -0.09 -2.23 0.00 0.00 178.31 177.30 3hha h ARG 40 N 0.71 1.12 0.01 1.11 2.43 -0.99 0.17 114.38 118.94 3hha h ARG 40 Ca 0.18 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.08 3hha h ARG 40 Cb 0.19 -0.25 0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hha h ARG 40 CO -0.02 0.74 -0.77 -0.22 -1.51 0.00 0.00 179.97 178.20 3hha h LYS 41 N 1.16 0.50 0.00 0.20 3.64 -0.89 -3.40 116.57 117.78 3hha h LYS 41 Ca 0.43 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3hha h LYS 41 Cb 0.18 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3hha h LYS 41 CO -0.17 1.19 -0.82 0.25 -2.27 0.00 0.00 179.45 177.62 3hha n THR 42 N -4.09 0.00 -0.97 1.00 -2.24 0.15 -5.00 114.28 103.13 3hha n THR 42 Ca -0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3hha n THR 42 Cb 0.76 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3hha n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hha n GLY 43 N 1.58 0.42 3.21 3.38 0.00 0.57 -5.02 105.19 109.33 3hha n GLY 43 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hha n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hha s ARG 44 N -0.53 3.07 -0.34 1.61 0.52 -1.26 -5.02 118.95 117.00 3hha s ARG 44 Ca 0.00 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.18 3hha s ARG 44 Cb 0.00 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 3hha s ARG 44 CO 0.00 0.10 0.50 -1.17 0.02 0.00 0.00 175.30 174.76 3hha s LEU 45 N 0.54 4.30 -0.11 2.53 2.96 -1.26 -3.77 118.68 123.87 3hha s LEU 45 Ca -0.13 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3hha s LEU 45 Cb -0.17 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3hha s LEU 45 CO 0.04 -0.44 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.92 3hha s ILE 46 N 2.37 1.03 0.20 6.68 1.01 -1.26 -5.11 121.20 126.12 3hha s ILE 46 Ca 0.19 -0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.22 3hha s ILE 46 Cb -0.15 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.17 3hha s ILE 46 CO 0.13 0.37 1.52 -0.55 0.00 0.00 0.00 174.94 176.41 3hha s SER 47 N 1.58 6.60 0.20 3.58 0.15 -1.26 -4.82 113.70 119.73 3hha s SER 47 Ca 0.03 2.65 0.06 0.00 0.70 0.00 0.00 55.95 59.38 3hha s SER 47 Cb -0.13 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 3hha s SER 47 CO -0.07 -0.79 0.18 -0.76 1.20 0.00 0.00 173.24 173.01 3hha s LEU 48 N 0.53 3.88 -0.50 3.45 1.43 -1.26 -0.58 118.68 125.63 3hha s LEU 48 Ca 0.66 -0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 3hha s LEU 48 Cb -0.43 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3hha s LEU 48 CO 0.36 0.02 0.95 -0.55 0.23 0.00 0.00 176.35 177.36 3hha s SER 49 N -3.44 6.44 0.31 2.29 0.15 -0.57 -4.05 113.70 114.83 3hha s SER 49 Ca 0.32 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.95 3hha s SER 49 Cb -0.09 -2.45 0.50 0.00 -1.71 0.00 0.00 66.02 62.27 3hha s SER 49 CO 0.25 -1.14 1.81 -0.33 1.20 0.00 0.00 173.24 175.03 3hha h GLU 50 N 9.19 0.55 -0.84 5.44 3.07 -1.87 -3.03 114.58 127.09 3hha h GLU 50 Ca -0.25 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 3hha h GLU 50 Cb 1.07 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.88 3hha h GLU 50 CO 1.06 0.63 0.50 0.37 -1.40 0.00 0.00 179.01 180.17 3hha h GLN 51 N 0.51 1.14 -0.61 2.33 5.75 -1.84 -0.18 115.11 122.21 3hha h GLN 51 Ca 0.10 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3hha h GLN 51 Cb 0.45 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 3hha h GLN 51 CO 0.02 0.80 0.33 -0.97 -2.65 0.00 0.00 178.83 176.36 3hha h ASN 52 N 1.15 0.49 -0.32 -0.69 -0.73 -1.78 0.52 115.58 114.22 3hha h ASN 52 Ca 0.30 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 3hha h ASN 52 Cb -0.04 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 3hha h ASN 52 CO -0.06 0.32 0.08 -0.07 -0.37 0.00 0.00 177.43 177.34 3hha h LEU 53 N 0.62 0.49 -0.48 0.34 3.38 -1.28 -1.90 115.31 116.47 3hha h LEU 53 Ca 0.27 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hha h LEU 53 Cb 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hha h LEU 53 CO -0.17 0.59 0.28 0.58 0.09 0.00 0.00 178.44 179.81 3hha h VAL 54 N 0.36 1.04 0.00 1.22 2.07 -0.58 -2.30 116.25 118.06 3hha h VAL 54 Ca 0.10 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3hha h VAL 54 Cb 0.29 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3hha h VAL 54 CO 0.00 0.10 -0.68 0.44 0.02 0.00 0.00 177.57 177.45 3hha h ASP 55 N 0.56 0.00 0.00 0.57 3.32 -0.91 -3.39 116.42 116.57 3hha h ASP 55 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hha h ASP 55 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hha h ASP 55 CO -0.09 0.68 -0.55 0.00 -1.72 0.00 0.00 179.24 177.55 3hha n SER 57 N -1.29 5.02 -0.32 0.00 3.41 -0.87 -4.36 113.62 115.21 3hha n SER 57 Ca 0.00 -2.68 0.04 0.00 -0.26 0.00 0.00 58.87 55.97 3hha n SER 57 Cb 0.04 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 63.55 3hha n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hha h GLY 58 N 4.20 1.42 2.00 5.00 0.00 -1.82 -2.36 103.07 111.50 3hha h GLY 58 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3hha h GLY 58 CO 0.36 0.17 -0.02 -2.55 0.00 0.00 0.00 176.54 174.51 3hha h PRO 59 N 0.90 0.00 -0.00 4.80 0.11 -1.86 0.06 132.00 136.00 3hha h PRO 59 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3hha h PRO 59 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hha h PRO 59 CO -0.24 0.02 -0.31 1.04 -0.21 0.00 0.00 178.00 178.29 3hha n GLN 60 N -3.43 0.38 0.00 1.05 3.00 -0.92 -4.92 117.38 112.54 3hha n GLN 60 Ca -0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 3hha n GLN 60 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 3hha n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hha n GLY 61 N 1.41 1.05 3.85 1.08 0.00 0.01 -4.82 105.19 107.77 3hha n GLY 61 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3hha n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hha s ASN 62 N -0.51 6.15 -0.20 1.61 0.01 -1.03 -4.91 114.94 116.06 3hha s ASN 62 Ca 0.00 1.51 0.15 0.00 -0.71 0.00 0.00 52.86 53.80 3hha s ASN 62 Cb 0.00 -2.49 0.45 0.00 0.41 0.00 0.00 41.25 39.62 3hha s ASN 62 CO 0.00 -0.92 1.18 -0.62 -1.51 0.00 0.00 177.10 175.23 3hha n GLU 63 N -2.53 1.89 0.00 -0.60 1.02 -0.06 -4.06 120.64 116.30 3hha n GLU 63 Ca 0.07 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 3hha n GLU 63 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3hha n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hha n GLY 64 N -0.59 3.71 0.00 0.62 0.00 -1.22 -0.87 105.19 106.83 3hha n GLY 64 Ca 0.22 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3hha n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hha n ASN 66 N -1.08 2.50 0.00 0.00 5.03 -0.05 -0.94 115.26 120.72 3hha n ASN 66 Ca 0.17 -1.83 0.00 0.00 0.87 0.00 0.00 54.58 53.79 3hha n ASN 66 Cb 0.12 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3hha n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hha n GLY 67 N 1.31 2.52 2.94 7.41 0.00 -1.05 -4.92 105.19 113.40 3hha n GLY 67 Ca 0.17 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 44.09 3hha n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 68 N -0.80 0.20 3.07 -0.02 0.00 -1.26 -0.89 105.19 105.49 3hha n GLY 68 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3hha n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hha s LEU 69 N 0.00 2.00 0.24 0.99 1.43 -1.26 -4.76 118.68 117.32 3hha s LEU 69 Ca 0.23 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3hha s LEU 69 Cb -0.00 -0.64 0.29 0.00 0.03 0.00 0.00 46.19 45.87 3hha s LEU 69 CO -0.02 0.14 1.90 0.24 0.23 0.00 0.00 176.35 178.84 3hha h MET 70 N 5.91 1.15 -0.30 1.70 2.86 -1.98 -1.96 114.93 122.30 3hha h MET 70 Ca -0.33 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 3hha h MET 70 Cb 1.17 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3hha h MET 70 CO 0.49 0.76 0.02 -0.44 1.06 0.00 0.00 176.91 178.80 3hha h ASP 71 N 1.19 0.42 -0.29 1.22 3.32 -1.96 -0.81 116.42 119.50 3hha h ASP 71 Ca 0.37 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 3hha h ASP 71 Cb -0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3hha h ASP 71 CO -0.11 0.47 -0.13 1.88 -1.72 0.00 0.00 179.24 179.62 3hha h TYR 72 N 0.44 0.79 -0.49 4.55 0.05 -1.69 -0.04 116.97 120.58 3hha h TYR 72 Ca 0.10 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3hha h TYR 72 Cb 0.26 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3hha h TYR 72 CO 0.01 0.81 0.27 0.00 -1.05 0.00 0.00 178.16 178.20 3hha h ALA 73 N 1.20 0.63 -0.60 3.88 0.00 -0.89 -0.66 119.26 122.82 3hha h ALA 73 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hha h ALA 73 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hha h ALA 73 CO 0.04 0.16 0.17 0.74 0.00 0.00 0.00 179.25 180.36 3hha h PHE 74 N 0.66 0.95 -0.69 0.00 0.04 -0.82 -2.09 116.94 114.99 3hha h PHE 74 Ca 0.17 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 3hha h PHE 74 Cb 0.06 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 3hha h PHE 74 CO -0.02 0.77 0.16 0.37 -0.60 0.00 0.00 178.31 179.00 3hha h GLN 75 N 0.89 1.10 -0.48 1.51 5.75 -0.81 -2.49 115.11 120.57 3hha h GLN 75 Ca 0.20 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3hha h GLN 75 Cb 0.29 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3hha h GLN 75 CO -0.00 0.97 0.24 -0.92 -2.65 0.00 0.00 178.83 176.47 3hha h TYR 76 N 1.04 0.43 -0.60 3.99 3.20 -0.64 0.01 116.97 124.40 3hha h TYR 76 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hha h TYR 76 Cb 0.38 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3hha h TYR 76 CO 0.03 0.21 0.33 0.28 -1.64 0.00 0.00 178.16 177.37 3hha h VAL 77 N 0.47 1.19 0.12 1.81 2.07 -1.14 0.15 116.25 120.92 3hha h VAL 77 Ca 0.21 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3hha h VAL 77 Cb 0.13 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3hha h VAL 77 CO -0.16 0.21 -0.06 -0.61 0.02 0.00 0.00 177.57 176.97 3hha h GLN 78 N 0.82 -0.16 -0.86 1.57 4.15 -1.10 -1.19 115.11 118.34 3hha h GLN 78 Ca 0.21 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3hha h GLN 78 Cb 0.04 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3hha h GLN 78 CO -0.03 -0.04 0.53 -0.44 -1.93 0.00 0.00 178.83 176.92 3hha h ASP 79 N -0.24 1.02 1.65 -0.69 3.32 -0.59 -2.88 116.42 118.00 3hha h ASP 79 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hha h ASP 79 Cb 0.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hha h ASP 79 CO 0.03 0.77 -0.28 -1.13 -1.72 0.00 0.00 179.24 176.91 3hha h ASN 80 N 1.18 0.00 -0.00 6.45 -1.24 -0.64 -3.48 115.58 117.85 3hha h ASN 80 Ca 0.31 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.31 3hha h ASN 80 Cb -0.07 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 3hha h ASN 80 CO -0.06 0.00 -0.00 0.61 -1.29 0.00 0.00 177.43 176.69 3hha n GLY 81 N 1.15 0.47 0.00 1.57 0.00 -0.48 -4.96 105.19 102.94 3hha n GLY 81 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hha n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 82 N -2.94 -0.16 3.30 -0.02 0.00 -1.01 -4.88 105.19 99.47 3hha n GLY 82 Ca -0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3hha n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hha s LEU 83 N 0.00 -0.13 0.61 0.99 2.96 -0.97 -4.65 118.68 117.49 3hha s LEU 83 Ca 0.00 0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 54.69 3hha s LEU 83 Cb 0.00 1.44 -0.03 0.00 0.50 0.00 0.00 46.19 48.10 3hha s LEU 83 CO 0.00 -0.19 1.07 -1.81 -1.32 0.00 0.00 176.35 174.10 3hha s ASP 84 N 1.34 5.59 0.64 3.68 1.01 -1.26 -1.35 116.67 126.31 3hha s ASP 84 Ca -0.09 1.88 -0.17 0.00 0.71 0.00 0.00 52.55 54.88 3hha s ASP 84 Cb -0.08 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3hha s ASP 84 CO -0.12 -1.30 1.17 -0.94 0.21 0.00 0.00 175.17 174.19 3hha s SER 85 N -2.69 4.98 0.26 0.27 1.04 -1.14 -1.51 113.70 114.90 3hha s SER 85 Ca 0.65 2.25 -0.02 0.00 0.48 0.00 0.00 55.95 59.31 3hha s SER 85 Cb -0.18 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 63.84 3hha s SER 85 CO 0.38 -1.73 1.79 -0.08 0.98 0.00 0.00 173.24 174.57 3hha h GLU 86 N 0.40 0.69 -0.60 4.02 4.57 -0.98 -1.99 114.58 120.69 3hha h GLU 86 Ca -0.49 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.67 3hha h GLU 86 Cb 1.28 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 3hha h GLU 86 CO 0.54 0.46 0.38 1.49 -1.18 0.00 0.00 179.01 180.69 3hha h GLU 87 N 0.71 0.73 0.00 1.92 4.81 -1.93 -2.81 114.58 118.02 3hha h GLU 87 Ca 0.44 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3hha h GLU 87 Cb 0.52 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hha h GLU 87 CO -0.31 0.48 -0.07 0.66 -0.73 0.00 0.00 179.01 179.05 3hha h SER 88 N 0.75 0.00 -1.60 1.04 4.64 -1.82 -3.39 113.55 113.18 3hha h SER 88 Ca 0.23 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.07 3hha h SER 88 Cb -0.02 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.74 3hha h SER 88 CO -0.08 0.07 -0.94 0.00 -0.87 0.00 0.00 176.83 175.01 3hha n TYR 89 N -3.12 -1.19 -1.03 4.77 -0.00 -0.79 -4.99 117.16 110.81 3hha n TYR 89 Ca 0.04 -3.07 -0.31 0.00 -0.00 0.00 0.00 57.90 54.55 3hha n TYR 89 Cb 0.55 0.19 0.12 0.00 -0.00 0.00 0.00 39.34 40.20 3hha n TYR 89 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3hha s PRO 90 N -0.56 1.72 0.02 2.98 0.02 -1.08 -4.51 135.00 133.59 3hha s PRO 90 Ca 0.34 1.31 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 3hha s PRO 90 Cb 0.16 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 3hha s PRO 90 CO -0.15 -2.07 0.93 -0.47 -0.33 0.00 0.00 177.00 174.92 3hha s TYR 91 N -2.80 3.69 -0.15 6.54 5.04 -1.26 -4.71 117.35 123.69 3hha s TYR 91 Ca 0.63 1.66 0.04 0.00 -2.44 0.00 0.00 57.07 56.97 3hha s TYR 91 Cb -0.19 -3.06 -0.05 0.00 0.35 0.00 0.00 41.96 39.01 3hha s TYR 91 CO 0.57 0.06 0.16 0.39 -1.34 0.00 0.00 175.55 175.39 3hha n GLU 92 N 3.58 4.20 -2.30 4.97 1.02 -1.26 -5.02 120.64 125.83 3hha n GLU 92 Ca 0.04 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 3hha n GLU 92 Cb 0.51 -0.81 -0.01 0.00 -0.02 0.00 0.00 31.44 31.11 3hha n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hha n ALA 93 N -1.24 -0.53 -3.43 0.62 0.00 -1.26 -4.96 120.51 109.70 3hha n ALA 93 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 3hha n ALA 93 Cb 0.08 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 3hha n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hha s THR 94 N -2.91 0.01 0.11 0.00 -1.32 -1.26 -4.54 115.64 105.74 3hha s THR 94 Ca 0.00 -0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.10 3hha s THR 94 Cb 0.00 -0.93 -0.07 0.00 -1.51 0.00 0.00 72.50 69.99 3hha s THR 94 CO 0.00 -0.06 0.82 -0.70 -2.21 0.00 0.00 174.62 172.47 3hha s GLU 95 N -1.53 4.59 0.29 7.08 2.12 -1.26 -4.96 118.70 125.02 3hha s GLU 95 Ca -0.10 1.21 0.03 0.00 0.36 0.00 0.00 54.97 56.47 3hha s GLU 95 Cb -0.01 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3hha s GLU 95 CO 0.06 0.37 0.16 -1.21 -0.54 0.00 0.00 175.26 174.10 3hha s GLU 96 N -0.45 1.54 0.62 4.30 0.41 -1.26 -5.08 118.70 118.78 3hha s GLU 96 Ca 0.40 -1.87 -0.18 0.00 -0.41 0.00 0.00 54.97 52.91 3hha s GLU 96 Cb -0.22 -0.03 -0.02 0.00 -1.78 0.00 0.00 34.13 32.08 3hha s GLU 96 CO 0.26 -0.44 1.26 -1.54 -0.49 0.00 0.00 175.26 174.30 3hha s SER 97 N -3.34 4.86 0.16 -0.19 1.04 -1.26 -4.51 113.70 110.46 3hha s SER 97 Ca 0.37 2.52 -0.34 0.00 0.48 0.00 0.00 55.95 58.98 3hha s SER 97 Cb 0.05 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.42 3hha s SER 97 CO 0.17 -1.82 1.57 0.00 0.98 0.00 0.00 173.24 174.13 3hha n LYS 99 N 3.37 0.91 -1.69 0.00 5.02 -1.26 -5.08 118.16 119.42 3hha n LYS 99 Ca 0.17 -2.46 -0.44 0.00 -2.02 0.00 0.00 58.31 53.56 3hha n LYS 99 Cb 0.28 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.21 3hha n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hha n TYR 100 N -0.67 2.35 -3.88 2.13 9.36 -1.26 -4.98 117.16 120.20 3hha n TYR 100 Ca 0.12 0.38 -0.29 0.00 3.32 0.00 0.00 57.90 61.44 3hha n TYR 100 Cb 0.78 -2.50 -0.16 0.00 -0.63 0.00 0.00 39.34 36.83 3hha n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hha s ASN 101 N 0.35 3.15 0.61 2.98 3.84 -1.26 -5.02 114.94 119.59 3hha s ASN 101 Ca 0.67 -0.84 0.38 0.00 0.21 0.00 0.00 52.86 53.29 3hha s ASN 101 Cb -0.61 -0.95 1.96 0.00 -0.55 0.00 0.00 41.25 41.10 3hha s ASN 101 CO 0.49 -0.22 2.21 1.55 -2.79 0.00 0.00 177.10 178.35 3hha h PRO 102 N 8.09 0.00 -0.08 0.43 0.13 -1.99 -1.85 132.00 136.73 3hha h PRO 102 Ca -0.21 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 3hha h PRO 102 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hha h PRO 102 CO 0.40 0.02 0.06 -0.22 -0.23 0.00 0.00 178.00 178.02 3hha h LYS 103 N 0.00 0.00 -0.55 0.86 3.64 -2.02 -2.29 116.57 116.21 3hha h LYS 103 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hha h LYS 103 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3hha h LYS 103 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3hha n TYR 104 N -4.46 1.00 -2.12 1.91 4.01 -0.70 -4.96 117.16 111.85 3hha n TYR 104 Ca -0.01 -0.58 -0.42 0.00 -0.16 0.00 0.00 57.90 56.74 3hha n TYR 104 Cb 0.17 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3hha n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hha s SER 105 N -1.06 6.77 0.00 7.72 0.15 -0.86 -2.88 113.70 123.54 3hha s SER 105 Ca 0.42 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.54 3hha s SER 105 Cb 0.25 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3hha s SER 105 CO 0.23 -0.65 0.40 1.33 1.20 0.00 0.00 173.24 175.76 3hha n VAL 106 N 3.11 0.11 -3.90 4.45 0.24 -0.46 -4.93 118.33 116.95 3hha n VAL 106 Ca 0.09 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 3hha n VAL 106 Cb 0.41 1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 33.95 3hha n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hha s ALA 107 N -0.11 -0.15 0.18 2.33 0.00 -1.20 -5.01 121.76 117.80 3hha s ALA 107 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 3hha s ALA 107 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3hha s ALA 107 CO 0.00 -0.38 0.48 1.21 0.00 0.00 0.00 175.76 177.07 3hha s ASN 108 N -2.34 -0.22 0.23 0.00 2.47 -1.26 -2.29 114.94 111.53 3hha s ASN 108 Ca -0.02 -0.51 -0.12 0.00 0.42 0.00 0.00 52.86 52.63 3hha s ASN 108 Cb 0.01 0.55 -0.00 0.00 -1.45 0.00 0.00 41.25 40.35 3hha s ASN 108 CO -0.06 -1.01 0.43 1.51 -3.72 0.00 0.00 177.10 174.25 3hha s ASP 109 N -2.88 -0.07 -0.43 -4.21 1.47 -1.26 -4.85 116.67 104.43 3hha s ASP 109 Ca 0.10 -0.91 0.07 0.00 1.18 0.00 0.00 52.55 52.99 3hha s ASP 109 Cb -0.00 0.55 0.42 0.00 -0.34 0.00 0.00 42.92 43.55 3hha s ASP 109 CO -0.03 -1.08 1.08 0.00 0.68 0.00 0.00 175.17 175.82 3hha n ALA 110 N -0.35 4.82 0.00 2.11 0.00 0.44 -4.13 120.51 123.41 3hha n ALA 110 Ca -0.03 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3hha n ALA 110 Cb 0.62 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3hha n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 111 N -0.41 -0.40 3.57 0.00 0.00 -1.26 -4.73 105.19 101.96 3hha n GLY 111 Ca 0.35 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3hha n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 112 N 0.00 -0.02 -0.11 1.61 -0.71 -1.26 -0.75 117.98 116.74 3hha s PHE 112 Ca 0.00 -0.34 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 3hha s PHE 112 Cb 0.00 0.38 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 3hha s PHE 112 CO 0.00 -0.97 -0.17 0.08 -1.34 0.00 0.00 175.22 172.82 3hha s VAL 113 N -3.91 1.60 -0.31 -2.49 1.01 0.07 -4.81 120.40 111.56 3hha s VAL 113 Ca 0.12 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3hha s VAL 113 Cb -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3hha s VAL 113 CO 0.01 0.46 0.26 -1.81 0.00 0.00 0.00 175.10 174.02 3hha s ASP 114 N 0.83 6.09 0.27 3.32 1.01 -1.26 -1.96 116.67 124.96 3hha s ASP 114 Ca -0.09 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 3hha s ASP 114 Cb -0.16 -2.15 -0.09 0.00 1.01 0.00 0.00 42.92 41.53 3hha s ASP 114 CO 0.01 -0.18 1.01 -0.63 0.21 0.00 0.00 175.17 175.59 3hha s ILE 115 N 1.84 3.81 0.79 0.77 1.01 -0.32 -5.01 121.20 124.08 3hha s ILE 115 Ca 0.09 1.79 -0.13 0.00 0.00 0.00 0.00 60.65 62.40 3hha s ILE 115 Cb -0.17 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.25 3hha s ILE 115 CO 0.11 0.41 1.19 -2.84 0.00 0.00 0.00 174.94 173.81 3hha s PRO 116 N -1.38 1.75 -1.33 2.79 0.02 -1.26 -4.60 135.00 131.00 3hha s PRO 116 Ca 0.43 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.98 3hha s PRO 116 Cb -0.28 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.48 3hha s PRO 116 CO 0.35 -2.12 1.97 1.17 -0.33 0.00 0.00 177.00 178.05 3hha n LYS 117 N -3.25 2.86 -3.72 5.54 4.81 -1.26 -4.65 118.16 118.49 3hha n LYS 117 Ca 0.13 -2.86 -0.12 0.00 -0.87 0.00 0.00 58.31 54.59 3hha n LYS 117 Cb 0.51 -3.39 -0.13 0.00 0.02 0.00 0.00 35.03 32.04 3hha n LYS 117 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hha s GLN 118 N 3.97 0.23 0.50 1.64 1.11 -1.26 -4.98 119.66 120.88 3hha s GLN 118 Ca 0.52 0.60 0.18 0.00 0.01 0.00 0.00 55.36 56.67 3hha s GLN 118 Cb 0.09 -0.09 1.26 0.00 -1.01 0.00 0.00 33.01 33.25 3hha s GLN 118 CO 0.01 -0.18 2.10 0.93 0.01 0.00 0.00 175.29 178.17 3hha h GLU 119 N 7.30 0.00 -0.74 2.91 5.08 -1.90 -1.06 114.58 126.17 3hha h GLU 119 Ca -0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 3hha h GLU 119 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3hha h GLU 119 CO 0.34 0.08 0.29 -0.22 -1.00 0.00 0.00 179.01 178.50 3hha h LYS 120 N 0.00 1.11 -0.30 2.33 3.64 -1.96 -0.25 116.57 121.14 3hha h LYS 120 Ca -0.00 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.03 3hha h LYS 120 Cb 0.16 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hha h LYS 120 CO 0.01 0.91 -0.40 0.00 -2.27 0.00 0.00 179.45 177.71 3hha h ALA 121 N 1.14 0.74 -0.54 5.00 0.00 -1.67 -1.86 119.26 122.07 3hha h ALA 121 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hha h ALA 121 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hha h ALA 121 CO -0.02 0.66 0.20 1.25 0.00 0.00 0.00 179.25 181.34 3hha h LEU 122 N 0.59 0.76 -0.47 0.00 5.85 -1.04 -1.32 115.31 119.67 3hha h LEU 122 Ca 0.05 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3hha h LEU 122 Cb 0.94 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hha h LEU 122 CO 0.09 0.73 0.28 -0.03 -0.34 0.00 0.00 178.44 179.17 3hha h MET 123 N 0.73 0.54 -0.83 1.25 4.05 -0.87 0.77 114.93 120.57 3hha h MET 123 Ca 0.18 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3hha h MET 123 Cb 0.23 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 3hha h MET 123 CO -0.01 0.36 0.43 -0.22 0.23 0.00 0.00 176.91 177.69 3hha h LYS 124 N 0.55 1.18 -0.22 0.39 1.63 -1.12 -0.48 116.57 118.50 3hha h LYS 124 Ca 0.19 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3hha h LYS 124 Cb 0.02 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 3hha h LYS 124 CO -0.09 0.89 0.04 0.00 -3.45 0.00 0.00 179.45 176.84 3hha h ALA 125 N 1.23 0.29 -0.76 5.00 0.00 -0.74 -0.97 119.26 123.31 3hha h ALA 125 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hha h ALA 125 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3hha h ALA 125 CO -0.04 -0.03 0.49 0.28 0.00 0.00 0.00 179.25 179.94 3hha h VAL 126 N 0.17 1.13 -0.07 0.00 2.07 -0.58 0.19 116.25 119.16 3hha h VAL 126 Ca 0.07 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 3hha h VAL 126 Cb 0.32 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3hha h VAL 126 CO 0.00 0.17 -0.42 0.00 0.02 0.00 0.00 177.57 177.35 3hha h ALA 127 N 1.31 1.16 0.00 1.67 0.00 -0.79 -3.24 119.26 119.37 3hha h ALA 127 Ca 0.30 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 3hha h ALA 127 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hha h ALA 127 CO -0.10 0.58 -1.92 0.25 0.00 0.00 0.00 179.25 178.06 3hha n THR 128 N -4.02 0.73 -0.13 0.00 -2.24 -0.39 -4.77 114.28 103.45 3hha n THR 128 Ca -0.02 -0.55 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 3hha n THR 128 Cb 0.47 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3hha n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hha n VAL 129 N -2.41 1.53 0.00 2.28 0.31 0.64 -5.07 118.33 115.61 3hha n VAL 129 Ca -0.18 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3hha n VAL 129 Cb 0.82 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 3hha n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hha n GLY 130 N 1.28 0.80 3.74 2.92 0.00 -1.22 -4.89 105.19 107.82 3hha n GLY 130 Ca -0.52 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.07 3hha n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hha n PRO 131 N 0.00 2.43 -5.13 1.61 -0.02 -1.26 -4.40 135.00 128.23 3hha n PRO 131 Ca 0.00 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 62.02 3hha n PRO 131 Cb 0.00 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 30.77 3hha n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hha s ILE 132 N -1.12 1.92 0.17 4.25 -1.09 -0.45 -4.71 121.20 120.17 3hha s ILE 132 Ca 0.55 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 3hha s ILE 132 Cb -0.51 -1.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.62 3hha s ILE 132 CO 0.63 0.53 1.34 -0.44 -1.23 0.00 0.00 174.94 175.77 3hha s SER 133 N 0.35 6.87 0.05 3.58 0.01 -0.40 -0.65 113.70 123.52 3hha s SER 133 Ca -0.17 2.38 -0.01 0.00 1.31 0.00 0.00 55.95 59.46 3hha s SER 133 Cb -0.17 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 3hha s SER 133 CO 0.08 -0.58 -0.03 0.68 0.41 0.00 0.00 173.24 173.80 3hha s VAL 134 N 0.47 0.28 0.01 3.43 -7.23 -0.67 -0.68 120.40 116.01 3hha s VAL 134 Ca 0.59 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 3hha s VAL 134 Cb -0.37 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3hha s VAL 134 CO 0.35 -0.95 -0.12 0.00 -0.31 0.00 0.00 175.10 174.07 3hha s ALA 135 N -3.73 2.81 0.11 1.32 0.00 -1.23 -0.73 121.76 120.31 3hha s ALA 135 Ca 0.06 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3hha s ALA 135 Cb 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3hha s ALA 135 CO -0.09 0.59 -0.09 0.96 0.00 0.00 0.00 175.76 177.13 3hha s ILE 136 N -0.94 0.92 -0.80 0.00 -4.36 -0.07 -3.96 121.20 112.00 3hha s ILE 136 Ca 0.16 -1.84 -0.26 0.00 -0.26 0.00 0.00 60.65 58.44 3hha s ILE 136 Cb -0.11 -1.59 0.03 0.00 1.25 0.00 0.00 42.46 42.04 3hha s ILE 136 CO 0.06 -0.71 1.39 -0.62 0.24 0.00 0.00 174.94 175.30 3hha s ASP 137 N -2.82 6.13 -0.12 4.36 2.15 -0.19 -1.24 116.67 124.94 3hha s ASP 137 Ca 0.10 -0.62 0.17 0.00 0.43 0.00 0.00 52.55 52.64 3hha s ASP 137 Cb 0.01 -2.56 0.69 0.00 -0.30 0.00 0.00 42.92 40.77 3hha s ASP 137 CO -0.01 -1.84 1.61 0.00 -0.17 0.00 0.00 175.17 174.76 3hha n ALA 138 N 9.69 3.09 -0.86 3.66 0.00 -1.26 -4.76 120.51 130.06 3hha n ALA 138 Ca 0.12 -1.66 -0.15 0.00 0.00 0.00 0.00 53.44 51.75 3hha n ALA 138 Cb 0.50 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 19.02 3hha n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 139 N 0.93 3.95 3.05 0.00 0.00 -1.26 -4.66 105.19 107.20 3hha n GLY 139 Ca 0.25 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 3hha n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hha s HIS 140 N -1.64 0.91 0.48 1.61 3.76 -1.26 -5.04 115.29 114.12 3hha s HIS 140 Ca 0.28 -0.21 0.40 0.00 -0.15 0.00 0.00 55.06 55.39 3hha s HIS 140 Cb 0.22 -0.57 2.06 0.00 1.11 0.00 0.00 32.58 35.39 3hha s HIS 140 CO -0.01 -0.01 2.24 1.05 -0.85 0.00 0.00 174.74 177.16 3hha h GLU 141 N 5.69 0.00 -0.51 1.40 4.11 -2.00 -0.83 114.58 122.45 3hha h GLU 141 Ca -0.32 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.13 3hha h GLU 141 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3hha h GLU 141 CO 0.48 0.01 0.34 0.66 0.07 0.00 0.00 179.01 180.56 3hha h SER 142 N 0.00 0.54 -0.06 3.06 4.64 -1.96 -0.06 113.55 119.71 3hha h SER 142 Ca -0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3hha h SER 142 Cb 0.17 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3hha h SER 142 CO 0.00 0.38 -0.51 0.15 -0.87 0.00 0.00 176.83 175.98 3hha h PHE 143 N 0.63 0.63 -0.97 4.77 3.57 -1.45 -2.35 116.94 121.77 3hha h PHE 143 Ca 0.19 -0.30 0.08 0.00 3.53 0.00 0.00 57.97 61.47 3hha h PHE 143 Cb 0.01 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 3hha h PHE 143 CO -0.00 1.09 0.61 -0.07 -2.23 0.00 0.00 178.31 177.71 3hha h LEU 144 N -0.00 0.96 -1.26 0.59 3.38 -1.34 -2.47 115.31 115.17 3hha h LEU 144 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hha h LEU 144 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hha h LEU 144 CO 0.10 0.59 0.00 0.49 0.09 0.00 0.00 178.44 179.71 3hha n PHE 145 N -4.56 0.23 -1.72 1.13 3.72 -0.07 -4.92 117.46 111.27 3hha n PHE 145 Ca 0.16 -0.12 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3hha n PHE 145 Cb 0.23 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3hha n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hha n TYR 146 N 0.48 2.63 -0.01 1.38 9.36 -0.89 -4.91 117.16 125.19 3hha n TYR 146 Ca 0.17 0.25 -0.03 0.00 3.32 0.00 0.00 57.90 61.60 3hha n TYR 146 Cb 0.37 -2.58 -0.01 0.00 -0.63 0.00 0.00 39.34 36.49 3hha n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hha n LYS 147 N 2.64 0.06 -3.61 2.98 5.02 -1.26 -2.51 118.16 121.48 3hha n LYS 147 Ca 0.12 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 3hha n LYS 147 Cb 0.34 -0.63 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 3hha n LYS 147 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hha s GLU 148 N -2.05 1.40 0.15 1.97 0.41 -1.26 -2.96 118.70 116.36 3hha s GLU 148 Ca -0.04 -0.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 3hha s GLU 148 Cb 0.01 0.57 0.00 0.00 -1.78 0.00 0.00 34.13 32.93 3hha s GLU 148 CO 0.05 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 174.62 3hha n GLY 149 N -0.37 -2.74 3.56 -1.39 0.00 -1.26 -4.86 105.19 98.13 3hha n GLY 149 Ca -0.12 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3hha n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hha s ILE 150 N -0.47 4.91 -0.09 -0.61 1.01 -1.26 -4.06 121.20 120.63 3hha s ILE 150 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.83 3hha s ILE 150 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3hha s ILE 150 CO 0.00 -0.33 1.42 -0.47 0.00 0.00 0.00 174.94 175.56 3hha s TYR 151 N 2.66 2.57 -0.04 3.97 5.04 0.18 -4.84 117.35 126.90 3hha s TYR 151 Ca 0.23 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.55 3hha s TYR 151 Cb -0.15 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.53 3hha s TYR 151 CO 0.15 -2.55 0.06 0.12 -1.34 0.00 0.00 175.55 171.99 3hha s PHE 152 N 3.41 0.03 -0.25 4.97 5.36 -1.26 -1.63 117.98 128.61 3hha s PHE 152 Ca 0.63 0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.87 3hha s PHE 152 Cb -0.28 -0.38 0.06 0.00 -0.34 0.00 0.00 43.02 42.08 3hha s PHE 152 CO 0.22 -0.16 -0.11 -2.00 -1.46 0.00 0.00 175.22 171.71 3hha s GLU 153 N 1.81 2.25 0.53 10.12 2.56 -1.26 -5.01 118.70 129.69 3hha s GLU 153 Ca 0.00 -1.25 0.27 0.00 0.00 0.00 0.00 54.97 54.00 3hha s GLU 153 Cb -0.12 -2.81 1.41 0.00 2.00 0.00 0.00 34.13 34.60 3hha s GLU 153 CO -0.03 -0.53 1.95 -1.35 -0.56 0.00 0.00 175.26 174.74 3hha h PRO 154 N 7.81 0.03 -0.13 4.30 0.11 -2.05 -1.01 132.00 141.05 3hha h PRO 154 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3hha h PRO 154 Cb 1.05 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hha h PRO 154 CO 0.47 0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 174.81 3hha n ASP 155 N -4.34 1.39 -4.76 -2.05 2.03 -1.26 -4.95 116.55 102.60 3hha n ASP 155 Ca 0.13 -1.65 -0.39 0.00 0.52 0.00 0.00 54.79 53.40 3hha n ASP 155 Cb 0.74 -0.08 0.01 0.00 -0.72 0.00 0.00 41.12 41.06 3hha n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hha s SER 157 N -0.81 6.60 0.00 0.00 0.15 -1.26 -4.75 113.70 113.63 3hha s SER 157 Ca 0.61 0.72 0.27 0.00 0.70 0.00 0.00 55.95 58.25 3hha s SER 157 Cb -0.38 -2.17 0.85 0.00 -1.71 0.00 0.00 66.02 62.60 3hha s SER 157 CO 0.48 0.33 1.62 -1.20 1.20 0.00 0.00 173.24 175.68 3hha n SER 158 N 2.10 0.87 -0.01 5.45 7.64 -1.26 -2.71 113.62 125.71 3hha n SER 158 Ca -0.16 -0.78 -0.01 0.00 1.01 0.00 0.00 58.87 58.93 3hha n SER 158 Cb 0.53 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 3hha n SER 158 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hha n GLU 159 N -0.76 3.56 -3.81 1.43 -0.58 -1.26 -4.06 120.64 115.15 3hha n GLU 159 Ca 0.12 -0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.51 3hha n GLU 159 Cb 0.33 -1.05 -0.12 0.00 -0.57 0.00 0.00 31.44 30.04 3hha n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hha s ASP 160 N -3.27 5.11 0.17 1.62 -0.00 -1.26 -5.08 116.67 113.96 3hha s ASP 160 Ca -0.01 -2.30 0.06 0.00 -0.00 0.00 0.00 52.55 50.30 3hha s ASP 160 Cb 0.01 -1.79 -0.04 0.00 -0.00 0.00 0.00 42.92 41.09 3hha s ASP 160 CO 0.08 -0.46 0.08 -0.04 -0.00 0.00 0.00 175.17 174.83 3hha s MET 161 N 0.74 2.69 0.00 8.23 -1.94 -1.26 -4.40 119.30 123.35 3hha s MET 161 Ca 0.11 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 3hha s MET 161 Cb -0.22 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.10 3hha s MET 161 CO -0.04 0.47 0.19 -0.40 -0.01 0.00 0.00 175.02 175.23 3hha n ASP 162 N -0.24 0.19 -3.68 3.03 5.68 -0.37 -4.88 116.55 116.28 3hha n ASP 162 Ca -0.09 -1.03 -0.12 0.00 -0.50 0.00 0.00 54.79 53.04 3hha n ASP 162 Cb 0.55 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.40 3hha n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3hha s HIS 163 N -0.03 -0.46 -0.06 2.11 5.04 -0.85 -4.95 115.29 116.09 3hha s HIS 163 Ca 0.00 1.02 -0.21 0.00 -1.54 0.00 0.00 55.06 54.32 3hha s HIS 163 Cb 0.00 0.05 -0.04 0.00 0.04 0.00 0.00 32.58 32.63 3hha s HIS 163 CO 0.00 -0.34 0.62 0.20 -2.34 0.00 0.00 174.74 172.88 3hha s GLY 164 N 2.07 2.57 0.09 1.59 0.00 -1.26 -0.89 107.32 111.50 3hha s GLY 164 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3hha s GLY 164 CO -0.09 0.95 0.10 3.33 0.00 0.00 0.00 173.10 177.39 3hha n VAL 165 N 3.40 0.00 -3.91 1.40 0.24 0.09 -4.52 118.33 115.02 3hha n VAL 165 Ca -0.04 -0.63 -0.24 0.00 -2.04 0.00 0.00 64.34 61.39 3hha n VAL 165 Cb 0.51 0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 33.04 3hha n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hha s LEU 166 N 0.00 0.95 -0.23 1.34 2.96 -0.95 -1.67 118.68 121.07 3hha s LEU 166 Ca 0.10 -0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.59 3hha s LEU 166 Cb 0.00 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 3hha s LEU 166 CO 0.07 -0.14 0.81 -0.69 -1.32 0.00 0.00 176.35 175.09 3hha s VAL 167 N 1.66 4.85 -1.49 1.68 1.01 0.18 -0.24 120.40 128.06 3hha s VAL 167 Ca 0.02 1.55 0.13 0.00 0.00 0.00 0.00 61.98 63.67 3hha s VAL 167 Cb -0.13 -4.11 0.17 0.00 0.00 0.00 0.00 36.38 32.32 3hha s VAL 167 CO -0.05 -0.05 1.02 1.33 0.00 0.00 0.00 175.10 177.34 3hha n VAL 168 N 5.17 0.26 -3.57 2.92 0.24 0.24 -1.34 118.33 122.26 3hha n VAL 168 Ca 0.05 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3hha n VAL 168 Cb 0.48 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3hha n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hha n GLY 169 N 0.73 -1.28 3.54 7.63 0.00 -1.19 -1.02 105.19 113.59 3hha n GLY 169 Ca 0.09 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3hha n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hha s TYR 170 N -3.00 -0.44 0.00 1.61 -0.85 -0.43 -0.97 117.35 113.28 3hha s TYR 170 Ca 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 3hha s TYR 170 Cb 0.00 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3hha s TYR 170 CO 0.00 -0.92 0.00 0.41 -1.52 0.00 0.00 175.55 173.52 3hha n GLY 171 N -0.39 1.92 2.92 5.49 0.00 -0.18 -1.25 105.19 113.70 3hha n GLY 171 Ca -0.13 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 3hha n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 172 N -7.21 0.39 -0.05 1.61 -0.71 -1.26 -1.60 117.98 109.16 3hha s PHE 172 Ca 0.00 -0.07 -0.30 0.00 -1.04 0.00 0.00 56.93 55.52 3hha s PHE 172 Cb 0.00 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 3hha s PHE 172 CO 0.00 -0.04 1.26 -2.00 -1.34 0.00 0.00 175.22 173.10 3hha s GLU 173 N 0.16 4.32 0.00 1.99 2.12 -0.61 -4.83 118.70 121.85 3hha s GLU 173 Ca -0.01 1.75 0.00 0.00 0.36 0.00 0.00 54.97 57.07 3hha s GLU 173 Cb -0.05 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3hha s GLU 173 CO -0.00 -0.50 0.00 0.45 -0.54 0.00 0.00 175.26 174.66 3hha n SER 174 N 5.37 0.00 0.00 -1.70 2.88 -1.26 -4.64 113.62 114.27 3hha n SER 174 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3hha n SER 174 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3hha n SER 174 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3hha n THR 175 N 0.00 0.00 -3.54 2.46 5.66 -1.26 -5.12 114.28 112.48 3hha n THR 175 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 3hha n THR 175 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 3hha n THR 175 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3hha n ASN 180 N 0.00 -5.56 -4.87 1.09 5.03 -1.26 -5.04 115.26 104.65 3hha n ASN 180 Ca 0.00 -0.42 -0.31 0.00 0.87 0.00 0.00 54.58 54.73 3hha n ASN 180 Cb 0.00 -2.15 -0.00 0.00 -1.02 0.00 0.00 39.78 36.61 3hha n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hha s LYS 181 N -3.46 3.66 0.04 3.52 1.02 -1.26 -1.58 119.74 121.68 3hha s LYS 181 Ca 0.21 0.73 -0.08 0.00 0.02 0.00 0.00 55.97 56.84 3hha s LYS 181 Cb -0.02 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3hha s LYS 181 CO 0.87 -0.47 0.16 1.52 -0.92 0.00 0.00 175.35 176.51 3hha s TYR 182 N -3.02 0.10 -0.04 3.18 -0.85 -0.62 -1.55 117.35 114.54 3hha s TYR 182 Ca 0.55 -0.33 -0.18 0.00 -0.52 0.00 0.00 57.07 56.59 3hha s TYR 182 Cb -0.11 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 3hha s TYR 182 CO 0.48 -0.40 0.49 -1.58 -1.52 0.00 0.00 175.55 173.03 3hha s TRP 183 N -2.46 3.64 -0.36 -3.49 0.52 0.76 -1.01 118.94 116.54 3hha s TRP 183 Ca -0.06 1.02 -0.18 0.00 0.02 0.00 0.00 56.10 56.90 3hha s TRP 183 Cb -0.02 -2.48 -0.00 0.00 -1.15 0.00 0.00 33.47 29.82 3hha s TRP 183 CO -0.04 0.39 0.52 -1.17 0.02 0.00 0.00 176.95 176.68 3hha s LEU 184 N -0.23 4.36 -0.13 2.99 2.96 -0.14 -0.92 118.68 127.58 3hha s LEU 184 Ca 0.27 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3hha s LEU 184 Cb -0.17 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.93 3hha s LEU 184 CO 0.13 -0.50 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.75 3hha s VAL 185 N 2.43 2.04 -0.19 1.68 1.01 -0.19 -0.59 120.40 126.59 3hha s VAL 185 Ca 0.19 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 3hha s VAL 185 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3hha s VAL 185 CO 0.14 0.55 0.63 -0.75 0.00 0.00 0.00 175.10 175.66 3hha s LYS 186 N 0.70 4.23 0.58 2.72 2.20 0.67 -1.04 119.74 129.80 3hha s LYS 186 Ca -0.10 0.63 0.08 0.00 -0.36 0.00 0.00 55.97 56.22 3hha s LYS 186 Cb -0.16 -3.56 0.09 0.00 -1.51 0.00 0.00 37.83 32.68 3hha s LYS 186 CO 0.01 -0.21 0.80 1.21 -0.36 0.00 0.00 175.35 176.80 3hha s ASN 187 N 1.15 5.05 -0.31 1.43 2.47 -0.75 -2.25 114.94 121.73 3hha s ASN 187 Ca 0.29 -0.76 0.12 0.00 0.42 0.00 0.00 52.86 52.94 3hha s ASN 187 Cb -0.16 0.19 0.47 0.00 -1.45 0.00 0.00 41.25 40.30 3hha s ASN 187 CO 0.11 -1.37 1.13 -1.54 -3.72 0.00 0.00 177.10 171.72 3hha n SER 188 N -2.29 3.63 -0.79 -4.21 3.41 -1.26 -4.51 113.62 107.60 3hha n SER 188 Ca 0.15 -3.16 0.04 0.00 -0.26 0.00 0.00 58.87 55.64 3hha n SER 188 Cb 0.61 -0.41 0.21 0.00 -0.26 0.00 0.00 64.21 64.36 3hha n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hha n TRP 189 N -0.59 0.68 0.00 7.33 8.01 -1.21 -0.68 117.44 130.98 3hha n TRP 189 Ca 0.30 -1.26 0.00 0.00 -1.31 0.00 0.00 57.50 55.22 3hha n TRP 189 Cb 0.86 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 3hha n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hha n GLY 190 N -1.01 -1.66 0.01 6.99 0.00 -0.43 -4.34 105.19 104.74 3hha n GLY 190 Ca 0.24 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.85 3hha n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hha n GLU 191 N -1.95 0.02 0.17 1.61 0.28 -1.26 -3.28 120.64 116.24 3hha n GLU 191 Ca 0.00 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 3hha n GLU 191 Cb 0.00 -1.52 0.09 0.00 1.43 0.00 0.00 31.44 31.44 3hha n GLU 191 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3hha h GLU 192 N 0.00 0.00 -6.85 3.44 5.08 -1.88 -2.95 114.58 111.42 3hha h GLU 192 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3hha h GLU 192 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hha h GLU 192 CO 0.00 0.29 0.41 -0.46 -1.00 0.00 0.00 179.01 178.25 3hha s TRP 193 N -3.08 3.61 0.00 4.33 -0.00 -1.20 -4.85 118.94 117.74 3hha s TRP 193 Ca 0.05 1.75 0.00 0.00 -0.00 0.00 0.00 56.10 57.90 3hha s TRP 193 Cb 0.07 -3.11 0.00 0.00 -0.00 0.00 0.00 33.47 30.43 3hha s TRP 193 CO 0.71 -0.21 0.00 0.41 -0.00 0.00 0.00 176.95 177.87 3hha n GLY 194 N 0.91 1.39 3.38 5.86 0.00 -1.04 -0.26 105.19 115.42 3hha n GLY 194 Ca 0.01 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 3hha n GLY 194 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hha s MET 195 N 0.00 3.92 -1.60 1.61 -2.45 -0.14 -4.36 119.30 116.29 3hha s MET 195 Ca 0.00 -2.64 0.00 0.00 -1.25 0.00 0.00 55.69 51.80 3hha s MET 195 Cb 0.00 -4.70 0.00 0.00 1.25 0.00 0.00 34.83 31.38 3hha s MET 195 CO 0.00 -1.46 0.00 0.41 1.05 0.00 0.00 175.02 175.02 3hha n GLY 196 N 3.82 -0.47 0.87 2.11 0.00 -1.24 -1.65 105.19 108.63 3hha n GLY 196 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hha n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 197 N -0.95 0.65 3.80 -0.02 0.00 0.64 -4.58 105.19 104.73 3hha n GLY 197 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3hha n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hha s TYR 198 N -2.57 3.02 -0.01 1.61 1.51 -0.66 -1.81 117.35 118.44 3hha s TYR 198 Ca 0.00 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3hha s TYR 198 Cb 0.00 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.46 3hha s TYR 198 CO 0.00 0.51 -0.02 0.54 -1.11 0.00 0.00 175.55 175.48 3hha s VAL 199 N -2.18 0.17 -0.47 0.71 0.11 -0.21 -0.96 120.40 117.56 3hha s VAL 199 Ca 0.33 -0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.14 3hha s VAL 199 Cb -0.07 -0.18 0.04 0.00 -1.53 0.00 0.00 36.38 34.63 3hha s VAL 199 CO 0.24 0.07 0.66 -0.54 -3.33 0.00 0.00 175.10 172.21 3hha s LYS 200 N 0.24 3.23 -0.03 1.54 1.02 -1.26 -1.02 119.74 123.46 3hha s LYS 200 Ca -0.02 -0.54 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 3hha s LYS 200 Cb -0.04 -4.01 -0.05 0.00 -0.52 0.00 0.00 37.83 33.20 3hha s LYS 200 CO -0.01 -1.12 0.38 -1.64 -0.92 0.00 0.00 175.35 172.04 3hha s MET 201 N 2.85 3.92 0.15 1.68 -1.94 -0.09 0.50 119.30 126.37 3hha s MET 201 Ca 0.21 0.33 -0.34 0.00 -1.71 0.00 0.00 55.69 54.18 3hha s MET 201 Cb -0.16 -3.24 -0.14 0.00 2.01 0.00 0.00 34.83 33.30 3hha s MET 201 CO 0.17 0.64 1.55 0.00 -0.01 0.00 0.00 175.02 177.37 3hha n ALA 202 N 2.07 1.15 -2.49 3.03 0.00 -0.64 -0.17 120.51 123.46 3hha n ALA 202 Ca -0.14 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 3hha n ALA 202 Cb 0.53 -2.32 -0.13 0.00 0.00 0.00 0.00 19.45 17.52 3hha n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hha s LYS 203 N 0.86 2.51 -1.40 0.00 2.20 -0.60 -4.51 119.74 118.79 3hha s LYS 203 Ca 0.79 -0.69 -0.07 0.00 -0.36 0.00 0.00 55.97 55.64 3hha s LYS 203 Cb -0.70 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 3hha s LYS 203 CO 0.39 0.62 0.91 -0.25 -0.36 0.00 0.00 175.35 176.66 3hha n ASP 204 N 2.27 -6.16 -3.18 1.43 8.00 -1.26 -4.34 116.55 113.31 3hha n ASP 204 Ca -0.17 -0.42 -0.26 0.00 0.71 0.00 0.00 54.79 54.65 3hha n ASP 204 Cb 0.52 -4.87 -0.06 0.00 -0.02 0.00 0.00 41.12 36.70 3hha n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hha n ARG 205 N -4.46 2.73 -3.60 -1.24 1.74 -1.26 -4.90 116.66 105.66 3hha n ARG 205 Ca -0.04 -4.65 -0.21 0.00 -0.77 0.00 0.00 57.85 52.17 3hha n ARG 205 Cb 0.58 -2.18 0.06 0.00 -1.02 0.00 0.00 32.46 29.90 3hha n ARG 205 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hha n ARG 206 N 0.34 -6.15 -3.53 5.56 1.74 -1.26 -3.01 116.66 110.35 3hha n ARG 206 Ca 0.30 0.74 -0.22 0.00 -0.77 0.00 0.00 57.85 57.90 3hha n ARG 206 Cb 0.42 -5.60 0.05 0.00 -1.02 0.00 0.00 32.46 26.31 3hha n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hha n ASN 207 N -3.05 -3.99 -4.72 0.55 5.15 -1.26 -4.82 115.26 103.11 3hha n ASN 207 Ca -0.21 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.54 3hha n ASN 207 Cb 0.64 -4.35 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 3hha n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3hha s HIS 208 N -3.50 2.96 -1.22 1.20 5.65 -1.17 -1.49 115.29 117.73 3hha s HIS 208 Ca 0.26 0.55 0.00 0.00 0.25 0.00 0.00 55.06 56.13 3hha s HIS 208 Cb -0.06 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.31 3hha s HIS 208 CO 0.79 -3.77 0.00 0.00 -0.65 0.00 0.00 174.74 171.12 3hha n GLY 210 N -0.03 0.66 0.29 0.00 0.00 -0.56 -1.02 105.19 104.52 3hha n GLY 210 Ca -0.11 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.17 3hha n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hha h ILE 211 N 0.00 0.80 -0.35 -0.61 2.10 -1.66 0.06 117.51 117.84 3hha h ILE 211 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.87 3hha h ILE 211 Cb 0.24 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3hha h ILE 211 CO 0.11 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.18 3hha n ALA 212 N -2.47 2.44 0.28 0.18 0.00 -1.26 -4.48 120.51 115.20 3hha n ALA 212 Ca -0.02 -0.88 0.12 0.00 0.00 0.00 0.00 53.44 52.66 3hha n ALA 212 Cb 0.14 -0.94 0.13 0.00 0.00 0.00 0.00 19.45 18.78 3hha n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hha h SER 213 N 3.81 0.00 -0.83 0.00 0.02 -1.27 -3.37 113.55 111.92 3hha h SER 213 Ca 0.00 -0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.58 3hha h SER 213 Cb 0.84 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 3hha h SER 213 CO 0.00 0.02 -0.86 0.00 -1.14 0.00 0.00 176.83 174.84 3hha n ALA 214 N -2.05 1.82 -2.70 3.77 0.00 -1.26 -4.90 120.51 115.18 3hha n ALA 214 Ca 0.02 -2.47 -0.37 0.00 0.00 0.00 0.00 53.44 50.63 3hha n ALA 214 Cb 0.51 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3hha n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hha s ALA 215 N -1.57 3.55 0.27 0.00 0.00 -1.26 -3.50 121.76 119.26 3hha s ALA 215 Ca 0.28 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 3hha s ALA 215 Cb 0.39 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 21.02 3hha s ALA 215 CO -0.04 0.09 0.61 -1.54 0.00 0.00 0.00 175.76 174.88 3hha s SER 216 N 0.37 -0.13 0.13 0.00 1.04 0.15 -1.17 113.70 114.09 3hha s SER 216 Ca 0.21 -0.81 -0.21 0.00 0.48 0.00 0.00 55.95 55.62 3hha s SER 216 Cb -0.14 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.70 3hha s SER 216 CO 0.08 -1.27 0.53 -0.72 0.98 0.00 0.00 173.24 172.84 3hha s TYR 217 N -3.84 -0.43 0.37 5.02 1.13 -0.83 -1.28 117.35 117.49 3hha s TYR 217 Ca 0.17 0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 55.84 3hha s TYR 217 Cb -0.03 0.44 -0.10 0.00 -1.10 0.00 0.00 41.96 41.17 3hha s TYR 217 CO 0.09 -0.78 0.89 -1.25 -2.51 0.00 0.00 175.55 171.99 3hha s PRO 218 N -3.60 4.27 -0.38 -3.49 0.04 -1.26 -0.75 135.00 129.82 3hha s PRO 218 Ca 0.01 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 61.84 3hha s PRO 218 Cb -0.00 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3hha s PRO 218 CO -0.11 0.11 1.01 0.99 0.04 0.00 0.00 177.00 179.04 3hha s THR 219 N -1.96 4.47 0.00 1.26 2.01 0.07 -4.84 115.64 116.64 3hha s THR 219 Ca 0.56 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.88 3hha s THR 219 Cb -0.12 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 67.97 3hha s THR 219 CO 0.17 -0.64 0.11 0.52 -0.69 0.00 0.00 174.62 174.08