#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hla s SER 2 N 0.00 7.21 0.32 1.61 0.15 -1.26 -3.29 113.70 118.44 3hla s SER 2 Ca 0.00 1.49 0.07 0.00 0.70 0.00 0.00 55.95 58.21 3hla s SER 2 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3hla s SER 2 CO 0.00 -0.43 -0.05 -1.00 1.20 0.00 0.00 173.24 172.96 3hla s HIS 3 N 1.98 2.18 0.22 3.44 0.09 -0.37 -4.95 115.29 117.88 3hla s HIS 3 Ca 0.47 -0.66 -0.20 0.00 -0.00 0.00 0.00 55.06 54.67 3hla s HIS 3 Cb -0.18 -1.31 0.04 0.00 -0.00 0.00 0.00 32.58 31.12 3hla s HIS 3 CO 0.18 0.37 0.62 -1.54 -0.00 0.00 0.00 174.74 174.36 3hla s SER 4 N -3.54 -0.34 -0.04 1.40 1.04 -1.26 -0.91 113.70 110.05 3hla s SER 4 Ca 0.32 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3hla s SER 4 Cb 0.05 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3hla s SER 4 CO 0.15 -1.15 -0.05 -0.32 0.98 0.00 0.00 173.24 172.85 3hla s MET 5 N -3.86 0.79 0.01 4.02 -2.45 -0.85 -1.24 119.30 115.72 3hla s MET 5 Ca 0.08 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.41 3hla s MET 5 Cb -0.03 -0.79 -0.01 0.00 1.25 0.00 0.00 34.83 35.25 3hla s MET 5 CO -0.01 -0.05 -0.04 1.03 1.05 0.00 0.00 175.02 177.00 3hla s ARG 6 N 0.76 0.30 -0.17 4.11 1.81 -0.82 -2.53 118.95 122.41 3hla s ARG 6 Ca -0.10 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 3hla s ARG 6 Cb -0.13 -0.21 0.00 0.00 -0.45 0.00 0.00 34.95 34.16 3hla s ARG 6 CO 0.00 0.05 -0.16 0.71 -0.68 0.00 0.00 175.30 175.22 3hla s TYR 7 N -0.42 2.78 -0.27 -0.53 1.51 0.06 -1.73 117.35 118.74 3hla s TYR 7 Ca -0.02 -1.22 -0.09 0.00 -1.01 0.00 0.00 57.07 54.72 3hla s TYR 7 Cb -0.04 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 3hla s TYR 7 CO -0.00 -0.59 0.12 -0.06 -1.11 0.00 0.00 175.55 173.92 3hla s PHE 8 N 1.01 3.15 -0.17 2.71 0.40 -0.84 -1.80 117.98 122.44 3hla s PHE 8 Ca -0.02 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3hla s PHE 8 Cb -0.15 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.08 3hla s PHE 8 CO -0.04 -0.32 -0.14 -0.06 0.70 0.00 0.00 175.22 175.37 3hla s PHE 9 N 1.66 2.82 -0.00 0.36 0.40 -0.42 -2.01 117.98 120.78 3hla s PHE 9 Ca 0.06 -1.07 0.07 0.00 -0.60 0.00 0.00 56.93 55.39 3hla s PHE 9 Cb -0.16 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 3hla s PHE 9 CO 0.06 -0.51 -0.21 0.99 0.70 0.00 0.00 175.22 176.25 3hla s THR 10 N 0.96 2.48 -0.06 0.64 2.01 -0.27 -1.45 115.64 119.96 3hla s THR 10 Ca -0.02 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 3hla s THR 10 Cb -0.15 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.44 3hla s THR 10 CO -0.02 0.50 0.01 -0.55 -0.69 0.00 0.00 174.62 173.87 3hla s SER 11 N -0.91 1.26 -0.15 3.53 0.15 -0.41 -1.99 113.70 115.17 3hla s SER 11 Ca 0.12 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.75 3hla s SER 11 Cb -0.10 -0.33 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 3hla s SER 11 CO 0.01 -0.19 -0.20 -0.69 1.20 0.00 0.00 173.24 173.37 3hla s VAL 12 N 1.83 1.97 0.40 4.45 1.01 -0.44 -1.52 120.40 128.10 3hla s VAL 12 Ca 0.02 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 3hla s VAL 12 Cb -0.12 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 3hla s VAL 12 CO -0.04 0.53 1.11 -0.94 0.00 0.00 0.00 175.10 175.76 3hla s SER 13 N 1.06 6.64 -0.92 3.32 1.04 -1.02 -0.64 113.70 123.17 3hla s SER 13 Ca -0.02 2.20 -0.05 0.00 0.48 0.00 0.00 55.95 58.56 3hla s SER 13 Cb -0.14 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.61 3hla s SER 13 CO -0.07 -0.59 0.84 -0.13 0.98 0.00 0.00 173.24 174.28 3hla s ARG 14 N -2.37 3.51 0.26 4.02 0.52 -1.26 -4.52 118.95 119.11 3hla s ARG 14 Ca 0.57 -3.11 -0.01 0.00 -0.52 0.00 0.00 55.73 52.65 3hla s ARG 14 Cb -0.27 -4.15 0.52 0.00 0.52 0.00 0.00 34.95 31.57 3hla s ARG 14 CO 0.33 -1.25 1.76 -1.00 0.02 0.00 0.00 175.30 175.16 3hla h PRO 15 N 6.46 0.58 0.82 3.54 0.13 -1.85 -3.17 132.00 138.51 3hla h PRO 15 Ca 0.14 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3hla h PRO 15 Cb 0.87 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.87 3hla h PRO 15 CO 0.88 0.38 -0.41 0.78 -0.23 0.00 0.00 178.00 179.40 3hla h GLY 16 N 0.59 -1.17 -5.26 1.56 0.00 -1.93 -3.44 103.07 93.42 3hla h GLY 16 Ca 0.46 0.44 -0.16 0.00 0.00 0.00 0.00 47.33 48.07 3hla h GLY 16 CO -0.37 -0.42 -0.42 -1.60 0.00 0.00 0.00 176.54 173.73 3hla s ARG 17 N -6.02 0.33 0.34 4.80 3.52 -1.20 -5.14 118.95 115.58 3hla s ARG 17 Ca -0.19 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 3hla s ARG 17 Cb 0.03 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 3hla s ARG 17 CO 0.61 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 3hla n GLY 18 N 2.73 -2.44 3.70 8.12 0.00 -1.26 -4.81 105.19 111.23 3hla n GLY 18 Ca -0.14 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3hla n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hla s GLU 19 N -0.56 1.50 0.48 1.61 2.02 -1.26 -4.53 118.70 117.95 3hla s GLU 19 Ca 0.00 1.59 -0.20 0.00 0.02 0.00 0.00 54.97 56.38 3hla s GLU 19 Cb 0.00 -1.78 -0.09 0.00 0.10 0.00 0.00 34.13 32.36 3hla s GLU 19 CO 0.00 -2.28 1.01 -1.25 0.02 0.00 0.00 175.26 172.76 3hla s PRO 20 N -4.43 3.90 0.18 0.39 0.04 -1.26 -3.98 135.00 129.84 3hla s PRO 20 Ca 0.69 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3hla s PRO 20 Cb -0.24 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3hla s PRO 20 CO 0.54 -0.33 1.05 0.50 0.04 0.00 0.00 177.00 178.80 3hla s ARG 21 N -3.27 4.65 -0.07 4.56 6.06 0.19 -4.83 118.95 126.24 3hla s ARG 21 Ca 0.66 1.64 0.03 0.00 -2.50 0.00 0.00 55.73 55.56 3hla s ARG 21 Cb -0.14 -3.29 0.01 0.00 0.06 0.00 0.00 34.95 31.59 3hla s ARG 21 CO 0.19 0.17 -0.16 0.12 -2.50 0.00 0.00 175.30 173.12 3hla s PHE 22 N -0.40 1.77 -0.04 5.12 5.36 -1.26 -1.33 117.98 127.19 3hla s PHE 22 Ca 0.47 -0.66 0.05 0.00 -0.96 0.00 0.00 56.93 55.84 3hla s PHE 22 Cb -0.28 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 3hla s PHE 22 CO 0.34 -0.30 -0.19 0.42 -1.46 0.00 0.00 175.22 174.04 3hla s ILE 23 N 0.49 1.54 -0.04 3.12 1.09 -0.84 -1.03 121.20 125.54 3hla s ILE 23 Ca -0.14 -0.79 0.03 0.00 -1.10 0.00 0.00 60.65 58.65 3hla s ILE 23 Cb -0.16 -1.32 0.01 0.00 -1.06 0.00 0.00 42.46 39.93 3hla s ILE 23 CO 0.05 0.44 -0.11 0.00 -0.10 0.00 0.00 174.94 175.22 3hla s ALA 24 N -0.06 1.03 -0.01 9.38 0.00 -0.13 -1.12 121.76 130.85 3hla s ALA 24 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.60 3hla s ALA 24 Cb -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3hla s ALA 24 CO 0.02 0.15 -0.13 0.08 0.00 0.00 0.00 175.76 175.87 3hla s VAL 25 N 0.32 1.07 0.11 0.00 1.01 -0.85 -1.52 120.40 120.53 3hla s VAL 25 Ca -0.06 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3hla s VAL 25 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3hla s VAL 25 CO 0.01 0.30 -0.23 -0.83 0.00 0.00 0.00 175.10 174.36 3hla s GLY 26 N -0.28 1.60 0.00 4.51 0.00 -0.64 -1.99 107.32 110.53 3hla s GLY 26 Ca 0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.36 3hla s GLY 26 CO -0.00 -1.34 0.05 -0.19 0.00 0.00 0.00 173.10 171.61 3hla s TYR 27 N -1.05 0.11 -0.14 1.90 2.02 -0.71 -1.19 117.35 118.29 3hla s TYR 27 Ca 0.15 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3hla s TYR 27 Cb -0.10 -0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.39 3hla s TYR 27 CO 0.07 -0.19 -0.09 0.08 -1.57 0.00 0.00 175.55 173.86 3hla s VAL 28 N -1.08 1.24 0.00 0.71 1.01 0.22 -1.95 120.40 120.55 3hla s VAL 28 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3hla s VAL 28 Cb -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3hla s VAL 28 CO 0.00 0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.89 3hla n ASP 29 N 4.86 0.00 -1.17 3.32 10.43 -0.37 -0.27 116.55 133.35 3hla n ASP 29 Ca -0.14 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.27 3hla n ASP 29 Cb 0.49 0.00 0.23 0.00 1.84 0.00 0.00 41.12 43.68 3hla n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hla n ASP 30 N 2.61 3.37 -4.54 -2.24 8.00 -1.26 -4.83 116.55 117.66 3hla n ASP 30 Ca 0.00 -2.39 -0.36 0.00 0.71 0.00 0.00 54.79 52.75 3hla n ASP 30 Cb 0.00 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 3hla n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hla s THR 31 N -1.86 4.69 0.18 -3.53 2.01 0.63 -5.05 115.64 112.70 3hla s THR 31 Ca 0.31 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3hla s THR 31 Cb 0.22 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 3hla s THR 31 CO 0.12 0.36 1.00 -1.58 -0.69 0.00 0.00 174.62 173.84 3hla s GLN 32 N 1.21 4.71 0.00 4.92 0.74 -1.26 -0.61 119.66 129.37 3hla s GLN 32 Ca 0.05 1.56 0.00 0.00 0.05 0.00 0.00 55.36 57.03 3hla s GLN 32 Cb -0.14 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3hla s GLN 32 CO 0.04 0.26 0.00 1.97 -0.55 0.00 0.00 175.29 177.02 3hla n PHE 33 N 2.17 0.00 -4.03 1.67 1.16 -0.33 -4.29 117.46 113.81 3hla n PHE 33 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.51 3hla n PHE 33 Cb 0.47 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.25 3hla n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3hla s VAL 34 N -1.30 0.20 0.05 1.97 -7.23 -1.23 -0.07 120.40 112.80 3hla s VAL 34 Ca 0.00 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 3hla s VAL 34 Cb 0.00 -1.45 0.03 0.00 0.56 0.00 0.00 36.38 35.52 3hla s VAL 34 CO 0.00 -0.90 0.35 0.00 -0.31 0.00 0.00 175.10 174.24 3hla s ARG 35 N -3.86 0.88 -0.03 4.82 1.70 -0.72 -1.61 118.95 120.13 3hla s ARG 35 Ca 0.06 -0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 54.81 3hla s ARG 35 Cb 0.07 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3hla s ARG 35 CO -0.10 -0.30 0.06 0.12 -1.08 0.00 0.00 175.30 174.00 3hla s PHE 36 N -2.72 -0.04 -0.06 5.89 5.36 -0.57 -0.91 117.98 124.92 3hla s PHE 36 Ca -0.04 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.15 3hla s PHE 36 Cb -0.00 -0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.57 3hla s PHE 36 CO -0.04 -0.09 -0.06 0.34 -1.46 0.00 0.00 175.22 173.91 3hla s ASP 37 N 0.77 1.39 0.45 6.13 -1.08 -1.26 -0.95 116.67 122.12 3hla s ASP 37 Ca -0.06 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 51.95 3hla s ASP 37 Cb -0.09 -0.60 1.05 0.00 -1.46 0.00 0.00 42.92 41.82 3hla s ASP 37 CO -0.03 -0.05 1.98 0.28 0.52 0.00 0.00 175.17 177.87 3hla h SER 38 N 7.37 0.00 -1.12 -0.34 0.02 -1.48 -2.77 113.55 115.23 3hla h SER 38 Ca -0.33 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.06 3hla h SER 38 Cb 1.16 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.48 3hla h SER 38 CO 0.44 0.21 0.67 0.47 -1.14 0.00 0.00 176.83 177.47 3hla n ASP 39 N -4.13 7.01 -4.08 3.07 10.43 -1.26 -4.83 116.55 122.76 3hla n ASP 39 Ca -0.02 -3.45 -0.22 0.00 2.57 0.00 0.00 54.79 53.67 3hla n ASP 39 Cb 0.28 -1.09 -0.15 0.00 1.84 0.00 0.00 41.12 41.99 3hla n ASP 39 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hla s ALA 40 N -2.77 1.09 0.36 2.24 0.00 -1.05 -5.04 121.76 116.58 3hla s ALA 40 Ca 0.52 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3hla s ALA 40 Cb 0.39 -0.31 0.67 0.00 0.00 0.00 0.00 23.12 23.87 3hla s ALA 40 CO -0.16 0.24 2.00 0.00 0.00 0.00 0.00 175.76 177.83 3hla h ALA 41 N 6.00 1.55 -0.78 0.00 0.00 -1.88 -2.98 119.26 121.18 3hla h ALA 41 Ca -0.33 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.57 3hla h ALA 41 Cb 1.17 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3hla h ALA 41 CO 0.49 0.39 0.46 0.66 0.00 0.00 0.00 179.25 181.25 3hla h SER 42 N 0.75 0.72 -6.01 0.00 4.64 -1.96 -3.45 113.55 108.23 3hla h SER 42 Ca 0.20 0.02 -0.42 0.00 -0.47 0.00 0.00 61.79 61.12 3hla h SER 42 Cb -0.03 -0.12 0.07 0.00 -0.31 0.00 0.00 62.40 62.00 3hla h SER 42 CO -0.04 0.46 -0.75 0.00 -0.87 0.00 0.00 176.83 175.63 3hla n GLN 43 N -4.69 -6.39 -4.01 4.77 1.13 -1.13 -4.98 117.38 102.08 3hla n GLN 43 Ca 0.11 0.72 -0.09 0.00 -1.94 0.00 0.00 57.00 55.80 3hla n GLN 43 Cb 0.17 -5.62 -0.11 0.00 0.11 0.00 0.00 30.24 24.80 3hla n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hla s ARG 44 N -6.20 0.40 -0.20 -1.09 1.81 -1.26 -5.03 118.95 107.39 3hla s ARG 44 Ca 0.41 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.34 3hla s ARG 44 Cb -0.19 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.40 3hla s ARG 44 CO 0.78 -0.06 1.69 1.41 -0.68 0.00 0.00 175.30 178.44 3hla s MET 45 N -2.15 3.78 0.08 3.54 -2.45 -1.26 -4.66 119.30 116.18 3hla s MET 45 Ca -0.09 1.77 0.03 0.00 -1.25 0.00 0.00 55.69 56.15 3hla s MET 45 Cb -0.05 -4.07 -0.04 0.00 1.25 0.00 0.00 34.83 31.92 3hla s MET 45 CO -0.03 -1.32 0.08 -1.21 1.05 0.00 0.00 175.02 173.59 3hla s GLU 46 N 4.78 2.90 0.49 4.11 2.02 -0.09 -4.86 118.70 128.05 3hla s GLU 46 Ca 0.75 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.85 3hla s GLU 46 Cb -0.27 -2.74 -0.08 0.00 0.10 0.00 0.00 34.13 31.14 3hla s GLU 46 CO 0.31 0.56 1.05 -1.25 0.02 0.00 0.00 175.26 175.95 3hla s PRO 47 N -2.41 3.73 0.00 0.39 0.04 -1.26 -1.75 135.00 133.73 3hla s PRO 47 Ca 0.29 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3hla s PRO 47 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3hla s PRO 47 CO 0.22 -0.49 0.47 -2.13 0.04 0.00 0.00 177.00 175.11 3hla n ARG 48 N -1.02 0.37 -3.79 4.56 0.63 0.90 -4.83 116.66 113.48 3hla n ARG 48 Ca 0.10 -0.54 -0.13 0.00 -0.92 0.00 0.00 57.85 56.36 3hla n ARG 48 Cb 0.52 -0.59 -0.14 0.00 0.45 0.00 0.00 32.46 32.70 3hla n ARG 48 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hla s ALA 49 N -0.14 -0.17 0.18 5.13 0.00 -1.21 -4.70 121.76 120.85 3hla s ALA 49 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 3hla s ALA 49 Cb 0.00 -0.28 0.22 0.00 0.00 0.00 0.00 23.12 23.05 3hla s ALA 49 CO 0.00 -0.10 1.18 -2.30 0.00 0.00 0.00 175.76 174.54 3hla n PRO 50 N 3.72 -0.16 0.30 0.00 -0.02 -1.26 -1.37 135.00 136.21 3hla n PRO 50 Ca -0.21 1.17 0.20 0.00 -2.02 0.00 0.00 63.50 62.64 3hla n PRO 50 Cb 0.55 -1.74 0.93 0.00 -0.02 0.00 0.00 33.50 33.22 3hla n PRO 50 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3hla h TRP 51 N 0.00 0.00 0.00 6.00 5.08 -1.96 -2.27 115.95 122.80 3hla h TRP 51 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.25 3hla h TRP 51 Cb 0.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.63 3hla h TRP 51 CO -0.65 0.00 -0.88 1.51 -1.28 0.00 0.00 178.44 177.14 3hla n ILE 52 N -3.03 0.03 0.29 0.12 0.13 -0.47 -3.98 119.36 112.46 3hla n ILE 52 Ca -0.01 -0.05 0.14 0.00 -1.10 0.00 0.00 62.75 61.73 3hla n ILE 52 Cb 0.18 0.61 0.68 0.00 -0.84 0.00 0.00 39.64 40.28 3hla n ILE 52 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 3hla h GLU 53 N 0.00 0.00 0.00 9.51 4.81 -1.37 -1.80 114.58 125.73 3hla h GLU 53 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hla h GLU 53 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3hla h GLU 53 CO 0.00 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.19 3hla h GLN 54 N 0.00 0.00 -6.64 1.92 4.20 -1.72 -3.44 115.11 109.44 3hla h GLN 54 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3hla h GLN 54 Cb 0.22 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.03 3hla h GLN 54 CO 0.00 0.05 0.71 -2.00 -0.67 0.00 0.00 178.83 176.92 3hla s GLU 55 N -3.87 4.33 1.03 1.46 2.56 -0.68 -4.99 118.70 118.53 3hla s GLU 55 Ca -0.01 2.12 -0.12 0.00 0.00 0.00 0.00 54.97 56.96 3hla s GLU 55 Cb 0.11 -3.20 0.21 0.00 2.00 0.00 0.00 34.13 33.25 3hla s GLU 55 CO 0.53 -0.37 1.08 0.20 -0.56 0.00 0.00 175.26 176.14 3hla s GLY 56 N 0.67 1.56 0.57 -1.50 0.00 -1.26 -4.81 107.32 102.55 3hla s GLY 56 Ca 0.61 -0.30 0.37 0.00 0.00 0.00 0.00 44.72 45.40 3hla s GLY 56 CO 0.36 0.33 2.11 -2.55 0.00 0.00 0.00 173.10 173.34 3hla h PRO 57 N -2.03 0.00 -0.57 2.90 0.11 -1.98 -0.10 132.00 130.33 3hla h PRO 57 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3hla h PRO 57 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3hla h PRO 57 CO 0.56 0.00 0.36 1.49 -0.21 0.00 0.00 178.00 180.20 3hla h GLU 58 N 0.00 0.76 0.05 1.05 4.81 -1.99 -0.14 114.58 119.13 3hla h GLU 58 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3hla h GLU 58 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3hla h GLU 58 CO 0.00 0.52 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.85 3hla h TYR 59 N 0.78 -0.07 -0.03 0.92 3.20 -1.35 -2.51 116.97 117.92 3hla h TYR 59 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3hla h TYR 59 Cb -0.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3hla h TYR 59 CO 0.00 0.43 -0.28 -1.49 -1.64 0.00 0.00 178.16 175.18 3hla h TRP 60 N -0.61 0.05 0.00 -3.82 4.06 -1.43 0.18 115.95 114.39 3hla h TRP 60 Ca -0.01 -0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.79 3hla h TRP 60 Cb 0.53 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3hla h TRP 60 CO 0.10 0.33 -0.71 -0.44 -3.56 0.00 0.00 178.44 174.16 3hla h ASP 61 N 0.04 0.00 0.67 -3.49 3.32 -1.12 -2.65 116.42 113.18 3hla h ASP 61 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.79 3hla h ASP 61 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3hla h ASP 61 CO 0.04 0.71 -1.27 1.23 -1.72 0.00 0.00 179.24 178.22 3hla h GLY 62 N 2.42 0.23 1.20 2.75 0.00 -0.93 -2.53 103.07 106.21 3hla h GLY 62 Ca -0.01 -0.58 -0.21 0.00 0.00 0.00 0.00 47.33 46.54 3hla h GLY 62 CO 0.09 0.51 -0.69 0.83 0.00 0.00 0.00 176.54 177.27 3hla h GLU 63 N 0.05 0.80 -0.32 4.80 4.39 -0.74 -2.78 114.58 120.78 3hla h GLU 63 Ca -0.14 -0.60 -0.02 0.00 0.34 0.00 0.00 59.36 58.95 3hla h GLU 63 Cb 1.94 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 3hla h GLU 63 CO 0.17 1.21 0.14 1.15 -1.16 0.00 0.00 179.01 180.53 3hla h THR 64 N 0.57 1.17 -0.64 1.13 2.02 -1.55 0.37 112.91 115.99 3hla h THR 64 Ca -0.03 -0.52 0.11 0.00 0.77 0.00 0.00 66.41 66.75 3hla h THR 64 Cb 1.31 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 68.56 3hla h THR 64 CO 0.15 0.18 0.19 -0.09 0.37 0.00 0.00 175.52 176.32 3hla h ARG 65 N 0.37 0.33 -0.00 6.66 2.43 -1.51 -2.06 114.38 120.59 3hla h ARG 65 Ca 0.11 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 3hla h ARG 65 Cb 0.16 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3hla h ARG 65 CO -0.01 0.22 -0.76 0.87 -1.51 0.00 0.00 179.97 178.77 3hla h LYS 66 N 0.34 0.52 0.00 0.20 1.57 -1.16 -2.53 116.57 115.51 3hla h LYS 66 Ca 0.34 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3hla h LYS 66 Cb 0.48 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hla h LYS 66 CO -0.38 1.19 -0.08 -0.24 -0.57 0.00 0.00 179.45 179.37 3hla h VAL 67 N 0.09 0.42 0.08 0.50 3.04 -0.75 0.74 116.25 120.37 3hla h VAL 67 Ca -0.09 -0.39 -0.25 0.00 -1.01 0.00 0.00 66.70 64.96 3hla h VAL 67 Cb 1.45 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 3hla h VAL 67 CO 0.15 0.07 -1.14 0.11 -1.01 0.00 0.00 177.57 175.75 3hla h LYS 68 N 0.00 0.20 -0.41 4.17 1.57 -1.34 -1.85 116.57 118.91 3hla h LYS 68 Ca -0.00 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.53 3hla h LYS 68 Cb 0.27 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3hla h LYS 68 CO 0.01 1.14 0.02 0.00 -0.57 0.00 0.00 179.45 180.05 3hla h ALA 69 N 0.73 0.39 -0.51 3.86 0.00 -0.44 -2.12 119.26 121.16 3hla h ALA 69 Ca -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hla h ALA 69 Cb 1.87 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 3hla h ALA 69 CO 0.18 -0.37 0.26 0.45 0.00 0.00 0.00 179.25 179.76 3hla h HIS 70 N 0.13 0.72 -0.99 0.00 3.86 -1.18 -0.72 115.15 116.97 3hla h HIS 70 Ca 0.20 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3hla h HIS 70 Cb 0.28 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 3hla h HIS 70 CO -0.25 0.56 0.65 0.66 0.86 0.00 0.00 177.93 180.41 3hla h SER 71 N 0.68 1.11 -0.14 2.45 4.64 -0.67 -1.05 113.55 120.57 3hla h SER 71 Ca 0.18 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 3hla h SER 71 Cb 0.09 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3hla h SER 71 CO -0.02 0.78 -0.34 1.56 -0.87 0.00 0.00 176.83 177.94 3hla h GLN 72 N 1.30 0.64 0.00 4.77 1.08 -1.16 -1.04 115.11 120.70 3hla h GLN 72 Ca 0.38 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 3hla h GLN 72 Cb -0.08 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3hla h GLN 72 CO -0.10 0.89 -0.27 1.79 -0.95 0.00 0.00 178.83 180.19 3hla h THR 73 N 0.54 0.67 0.00 -0.54 1.35 0.10 -2.45 112.91 112.58 3hla h THR 73 Ca 0.06 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3hla h THR 73 Cb 0.84 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3hla h THR 73 CO 0.07 0.27 -0.11 0.45 -0.25 0.00 0.00 175.52 175.95 3hla h HIS 74 N 0.00 0.00 0.23 4.73 3.86 -0.67 -0.11 115.15 123.19 3hla h HIS 74 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hla h HIS 74 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 3hla h HIS 74 CO 0.00 0.00 -0.11 -0.09 0.86 0.00 0.00 177.93 178.59 3hla h ARG 75 N 0.00 -0.30 0.15 2.45 2.43 -0.96 -1.71 114.38 116.44 3hla h ARG 75 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3hla h ARG 75 Cb 0.97 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 3hla h ARG 75 CO 0.00 0.06 -0.34 0.28 -1.51 0.00 0.00 179.97 178.46 3hla h VAL 76 N -0.72 0.29 -0.93 0.20 2.07 -1.37 -2.16 116.25 113.64 3hla h VAL 76 Ca -0.03 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.76 3hla h VAL 76 Cb 0.49 0.29 -0.15 0.00 -1.52 0.00 0.00 31.29 30.40 3hla h VAL 76 CO 0.05 0.00 0.31 0.44 0.02 0.00 0.00 177.57 178.39 3hla h ASP 77 N -0.58 0.07 0.52 0.57 3.45 -1.06 0.26 116.42 119.65 3hla h ASP 77 Ca 0.02 0.21 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 3hla h ASP 77 Cb 0.60 0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.63 3hla h ASP 77 CO -0.18 -0.20 -0.36 -0.07 -1.57 0.00 0.00 179.24 176.86 3hla h LEU 78 N 0.19 0.00 0.18 1.55 3.38 -0.63 -0.84 115.31 119.14 3hla h LEU 78 Ca 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 3hla h LEU 78 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3hla h LEU 78 CO -0.69 0.36 -0.09 1.23 0.09 0.00 0.00 178.44 179.34 3hla h GLY 79 N 1.40 -0.25 -0.20 0.83 0.00 -0.38 -2.76 103.07 101.70 3hla h GLY 79 Ca -0.00 0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.53 3hla h GLY 79 CO 0.05 -0.09 -0.21 -0.84 0.00 0.00 0.00 176.54 175.44 3hla h THR 80 N -0.81 0.34 -0.23 4.70 2.02 -1.01 -0.63 112.91 117.29 3hla h THR 80 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3hla h THR 80 Cb 0.52 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hla h THR 80 CO 0.04 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.94 3hla h LEU 81 N -0.08 0.28 -0.73 2.58 4.07 -1.21 -0.28 115.31 119.94 3hla h LEU 81 Ca 0.25 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 58.06 3hla h LEU 81 Cb 0.47 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 3hla h LEU 81 CO -0.60 0.27 -0.62 -0.09 -1.08 0.00 0.00 178.44 176.32 3hla h ARG 82 N 0.31 0.00 0.14 1.13 2.43 -0.81 -1.70 114.38 115.89 3hla h ARG 82 Ca 0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3hla h ARG 82 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hla h ARG 82 CO -0.01 0.62 -0.07 0.78 -1.51 0.00 0.00 179.97 179.79 3hla h GLY 83 N 1.94 -0.20 0.35 2.80 0.00 -0.74 0.16 103.07 107.38 3hla h GLY 83 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.52 3hla h GLY 83 CO 0.08 -0.07 0.46 -0.97 0.00 0.00 0.00 176.54 176.04 3hla h TYR 84 N -0.59 0.82 -0.22 5.60 0.99 -1.09 0.13 116.97 122.60 3hla h TYR 84 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3hla h TYR 84 Cb 0.46 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 37.95 3hla h TYR 84 CO 0.05 0.26 0.00 0.66 -0.00 0.00 0.00 178.16 179.13 3hla n TYR 85 N -4.81 0.27 -3.38 4.88 4.02 -0.65 -4.91 117.16 112.58 3hla n TYR 85 Ca 0.16 -0.13 -0.20 0.00 -0.01 0.00 0.00 57.90 57.72 3hla n TYR 85 Cb 0.37 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.76 3hla n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hla n ASN 86 N 0.99 -6.25 -4.85 7.72 2.85 0.44 -5.00 115.26 111.17 3hla n ASN 86 Ca 0.17 -0.80 -0.21 0.00 -0.11 0.00 0.00 54.58 53.63 3hla n ASN 86 Cb 0.50 -4.68 -0.04 0.00 1.24 0.00 0.00 39.78 36.80 3hla n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3hla s GLN 87 N -4.86 2.63 0.63 1.20 -0.21 0.34 -5.00 119.66 114.39 3hla s GLN 87 Ca 0.46 -1.39 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 3hla s GLN 87 Cb -0.09 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.48 3hla s GLN 87 CO 0.78 0.02 1.06 0.45 -2.12 0.00 0.00 175.29 175.47 3hla s SER 88 N -4.02 5.63 0.44 5.90 0.15 -1.26 -4.86 113.70 115.68 3hla s SER 88 Ca 0.43 1.77 0.30 0.00 0.70 0.00 0.00 55.95 59.14 3hla s SER 88 Cb -0.05 -2.52 1.16 0.00 -1.71 0.00 0.00 66.02 62.90 3hla s SER 88 CO 0.26 -1.27 1.87 -0.33 1.20 0.00 0.00 173.24 174.97 3hla h GLU 89 N 0.09 0.00 -0.95 5.44 5.08 -1.98 -3.37 114.58 118.88 3hla h GLU 89 Ca -0.46 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.39 3hla h GLU 89 Cb 1.22 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.05 3hla h GLU 89 CO 0.57 0.00 -0.86 0.00 -1.00 0.00 0.00 179.01 177.72 3hla n ALA 90 N -1.98 4.62 -2.42 3.43 0.00 -1.26 -4.87 120.51 118.03 3hla n ALA 90 Ca 0.01 -3.77 -0.20 0.00 0.00 0.00 0.00 53.44 49.49 3hla n ALA 90 Cb 0.30 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 3hla n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hla s GLY 91 N -3.58 1.38 0.51 0.00 0.00 -1.26 -4.93 107.32 99.44 3hla s GLY 91 Ca 0.45 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.54 3hla s GLY 91 CO -0.04 -1.61 0.87 -0.56 0.00 0.00 0.00 173.10 171.76 3hla s SER 92 N -2.92 6.34 0.01 1.64 0.01 -1.26 -4.64 113.70 112.88 3hla s SER 92 Ca 0.18 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.61 3hla s SER 92 Cb -0.04 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3hla s SER 92 CO 0.06 -0.63 -0.02 -1.00 0.41 0.00 0.00 173.24 172.06 3hla s HIS 93 N -2.79 0.20 -0.23 2.43 3.76 -1.26 -4.97 115.29 112.43 3hla s HIS 93 Ca 0.51 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 55.03 3hla s HIS 93 Cb -0.10 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.42 3hla s HIS 93 CO 0.44 -0.11 0.05 0.99 -0.85 0.00 0.00 174.74 175.26 3hla s THR 94 N -0.89 4.22 0.16 1.30 2.01 -1.26 -2.43 115.64 118.75 3hla s THR 94 Ca -0.09 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.70 3hla s THR 94 Cb -0.06 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3hla s THR 94 CO -0.01 0.37 0.32 0.68 -0.69 0.00 0.00 174.62 175.30 3hla s VAL 95 N 1.40 5.28 -0.02 3.82 -7.23 -0.58 -1.58 120.40 121.48 3hla s VAL 95 Ca 0.05 -0.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.71 3hla s VAL 95 Cb -0.15 -3.73 0.03 0.00 0.56 0.00 0.00 36.38 33.09 3hla s VAL 95 CO 0.03 -0.10 0.04 -1.10 -0.31 0.00 0.00 175.10 173.66 3hla s GLN 96 N -3.20 -0.01 0.07 4.82 -0.21 -1.08 -1.29 119.66 118.77 3hla s GLN 96 Ca 0.36 0.19 0.09 0.00 0.02 0.00 0.00 55.36 56.02 3hla s GLN 96 Cb -0.11 -0.21 -0.03 0.00 1.00 0.00 0.00 33.01 33.66 3hla s GLN 96 CO 0.29 -0.15 -0.23 0.50 -2.12 0.00 0.00 175.29 173.57 3hla s ARG 97 N 0.95 1.42 -0.06 2.91 3.52 -0.53 -1.29 118.95 125.88 3hla s ARG 97 Ca -0.08 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 54.40 3hla s ARG 97 Cb -0.11 -1.66 0.03 0.00 -1.56 0.00 0.00 34.95 31.64 3hla s ARG 97 CO -0.03 0.41 -0.00 1.41 -0.81 0.00 0.00 175.30 176.28 3hla s MET 98 N -1.53 0.56 0.16 5.12 1.75 0.05 -1.31 119.30 124.11 3hla s MET 98 Ca 0.09 0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 3hla s MET 98 Cb -0.10 -0.88 -0.04 0.00 2.84 0.00 0.00 34.83 36.65 3hla s MET 98 CO 0.03 -0.26 0.04 1.52 -0.65 0.00 0.00 175.02 175.70 3hla s TYR 99 N 1.77 1.07 -3.72 4.11 1.13 -0.75 0.09 117.35 121.05 3hla s TYR 99 Ca 0.02 -1.15 0.00 0.00 -1.41 0.00 0.00 57.07 54.53 3hla s TYR 99 Cb -0.13 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.13 3hla s TYR 99 CO -0.04 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 3hla n GLY 100 N -0.19 -2.22 3.05 5.49 0.00 -0.48 -0.76 105.19 110.08 3hla n GLY 100 Ca -0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3hla n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hla s ASP 102 N -1.38 4.37 0.19 0.00 -0.00 0.09 -2.01 116.67 117.93 3hla s ASP 102 Ca -0.15 -0.38 0.10 0.00 -0.00 0.00 0.00 52.55 52.12 3hla s ASP 102 Cb -0.08 -0.83 -0.04 0.00 -0.00 0.00 0.00 42.92 41.96 3hla s ASP 102 CO 0.01 0.19 -0.21 0.68 -0.00 0.00 0.00 175.17 175.84 3hla s VAL 103 N -1.19 2.09 0.00 -1.27 -7.23 -0.09 -1.30 120.40 111.41 3hla s VAL 103 Ca 0.21 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 3hla s VAL 103 Cb -0.11 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3hla s VAL 103 CO 0.13 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 3hla n GLY 104 N 0.16 1.20 0.25 2.32 0.00 -0.24 -1.23 105.19 107.66 3hla n GLY 104 Ca -0.12 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.04 3hla n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hla h SER 105 N 0.00 0.00 -0.02 1.61 0.02 -1.88 -1.43 113.55 111.85 3hla h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hla h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hla h SER 105 CO 0.00 0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 174.83 3hla n ASP 106 N -4.45 0.53 -0.47 3.07 3.85 -1.26 -3.67 116.55 114.15 3hla n ASP 106 Ca -0.03 -1.30 -0.06 0.00 -0.71 0.00 0.00 54.79 52.69 3hla n ASP 106 Cb 0.13 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.86 3hla n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3hla n TRP 107 N -0.53 0.00 -3.27 2.11 5.03 -0.54 -5.02 117.44 115.23 3hla n TRP 107 Ca 0.19 0.00 -0.24 0.00 3.03 0.00 0.00 57.50 60.48 3hla n TRP 107 Cb 0.18 -1.91 -0.01 0.00 -1.03 0.00 0.00 31.31 28.53 3hla n TRP 107 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 3hla s ARG 108 N -2.18 3.50 0.16 -0.99 0.52 -1.26 -4.75 118.95 113.95 3hla s ARG 108 Ca 0.00 -0.25 -0.34 0.00 -0.52 0.00 0.00 55.73 54.62 3hla s ARG 108 Cb 0.00 -2.62 -0.14 0.00 0.52 0.00 0.00 34.95 32.71 3hla s ARG 108 CO 0.00 0.10 1.53 0.34 0.02 0.00 0.00 175.30 177.29 3hla n PHE 109 N -1.84 2.18 0.02 -0.53 7.35 -1.26 -1.07 117.46 122.31 3hla n PHE 109 Ca -0.04 0.33 -0.01 0.00 -0.76 0.00 0.00 57.45 56.96 3hla n PHE 109 Cb 0.56 -2.51 -0.00 0.00 0.35 0.00 0.00 39.48 37.87 3hla n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3hla n LEU 110 N 3.19 1.07 -4.14 -2.13 7.94 -0.42 -4.80 117.00 117.72 3hla n LEU 110 Ca 0.17 0.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.11 3hla n LEU 110 Cb 0.28 -0.36 -0.10 0.00 0.53 0.00 0.00 43.42 43.77 3hla n LEU 110 CO 0.63 -0.65 -0.38 -0.60 -1.11 0.00 0.00 177.39 175.28 3hla s ARG 111 N -1.99 0.74 0.00 1.96 3.52 -1.16 -4.97 118.95 117.06 3hla s ARG 111 Ca -0.04 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.31 3hla s ARG 111 Cb 0.01 -0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.25 3hla s ARG 111 CO 0.06 -0.03 0.05 0.20 -0.81 0.00 0.00 175.30 174.78 3hla s GLY 112 N -2.77 0.11 -0.03 8.12 0.00 -1.26 -0.73 107.32 110.76 3hla s GLY 112 Ca 0.07 -0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.32 3hla s GLY 112 CO -0.05 -0.35 0.45 -2.52 0.00 0.00 0.00 173.10 170.63 3hla s TYR 113 N -1.14 -0.36 -0.34 1.90 -0.85 0.14 -4.81 117.35 111.89 3hla s TYR 113 Ca -0.12 0.58 0.02 0.00 -0.52 0.00 0.00 57.07 57.03 3hla s TYR 113 Cb -0.07 0.22 0.15 0.00 0.38 0.00 0.00 41.96 42.63 3hla s TYR 113 CO 0.00 -0.48 0.33 -1.58 -1.52 0.00 0.00 175.55 172.31 3hla s HIS 114 N -1.32 -0.27 0.51 -3.49 2.46 -1.25 -1.38 115.29 110.56 3hla s HIS 114 Ca -0.12 -0.67 0.05 0.00 0.47 0.00 0.00 55.06 54.79 3hla s HIS 114 Cb -0.03 -0.47 0.02 0.00 -0.13 0.00 0.00 32.58 31.96 3hla s HIS 114 CO 0.06 -0.94 0.32 1.14 -2.47 0.00 0.00 174.74 172.85 3hla s GLN 115 N 1.72 2.26 -0.23 2.88 -2.07 0.11 -2.24 119.66 122.10 3hla s GLN 115 Ca 0.14 -2.02 -0.17 0.00 -1.82 0.00 0.00 55.36 51.49 3hla s GLN 115 Cb -0.15 -2.02 0.07 0.00 -1.09 0.00 0.00 33.01 29.81 3hla s GLN 115 CO -0.13 -0.49 0.60 -0.47 -1.32 0.00 0.00 175.29 173.47 3hla s TYR 116 N -2.74 -0.78 0.21 9.60 5.04 -0.99 -0.77 117.35 126.92 3hla s TYR 116 Ca 0.32 1.72 0.04 0.00 -2.44 0.00 0.00 57.07 56.71 3hla s TYR 116 Cb -0.01 0.36 -0.05 0.00 0.35 0.00 0.00 41.96 42.62 3hla s TYR 116 CO 0.19 -0.39 -0.04 0.00 -1.34 0.00 0.00 175.55 173.97 3hla s ALA 117 N 0.94 1.73 -0.04 3.97 0.00 -0.41 -1.53 121.76 126.42 3hla s ALA 117 Ca -0.05 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.24 3hla s ALA 117 Cb -0.05 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3hla s ALA 117 CO -0.08 -0.18 -0.04 -0.47 0.00 0.00 0.00 175.76 174.98 3hla s TYR 118 N -3.36 0.64 -0.92 0.00 5.04 -0.55 -2.62 117.35 115.58 3hla s TYR 118 Ca 0.25 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 3hla s TYR 118 Cb 0.04 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.78 3hla s TYR 118 CO 0.06 -0.15 0.00 -0.25 -1.34 0.00 0.00 175.55 173.87 3hla n ASP 119 N 3.90 -2.92 0.00 4.32 10.43 -0.62 -1.28 116.55 130.39 3hla n ASP 119 Ca -0.24 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.37 3hla n ASP 119 Cb 0.52 -2.67 0.00 0.00 1.84 0.00 0.00 41.12 40.81 3hla n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hla n GLY 120 N -0.48 2.11 3.41 0.44 0.00 -1.26 -4.98 105.19 104.43 3hla n GLY 120 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3hla n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hla s LYS 121 N -0.08 1.50 0.21 1.61 1.02 -0.40 -5.09 119.74 118.50 3hla s LYS 121 Ca 0.00 -1.61 -0.32 0.00 0.02 0.00 0.00 55.97 54.06 3hla s LYS 121 Cb 0.00 -1.58 -0.14 0.00 -0.52 0.00 0.00 37.83 35.59 3hla s LYS 121 CO 0.00 0.31 1.33 -0.25 -0.92 0.00 0.00 175.35 175.82 3hla n ASP 122 N -0.21 2.27 0.00 2.83 10.43 -1.26 -1.49 116.55 129.12 3hla n ASP 122 Ca -0.09 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.41 3hla n ASP 122 Cb 0.59 -1.35 0.00 0.00 1.84 0.00 0.00 41.12 42.19 3hla n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hla n TYR 123 N 1.84 0.00 -4.48 1.24 4.19 -0.58 -4.73 117.16 114.65 3hla n TYR 123 Ca 0.13 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 61.13 3hla n TYR 123 Cb 0.29 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.97 3hla n TYR 123 CO 0.00 0.00 0.00 -1.50 0.91 0.00 0.00 176.86 176.27 3hla s ILE 124 N 0.00 1.04 -0.05 2.97 2.07 -1.16 -1.23 121.20 124.84 3hla s ILE 124 Ca 0.00 -0.73 -0.04 0.00 -1.41 0.00 0.00 60.65 58.47 3hla s ILE 124 Cb 0.00 -0.90 0.02 0.00 0.13 0.00 0.00 42.46 41.71 3hla s ILE 124 CO 0.00 0.17 0.13 0.00 -1.91 0.00 0.00 174.94 173.32 3hla s ALA 125 N -0.53 -0.29 0.67 1.50 0.00 -0.90 -2.34 121.76 119.87 3hla s ALA 125 Ca 0.03 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 3hla s ALA 125 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3hla s ALA 125 CO 0.00 -0.08 1.08 -1.17 0.00 0.00 0.00 175.76 175.59 3hla s LEU 126 N 0.34 3.31 0.49 0.00 2.96 -0.95 -0.99 118.68 123.83 3hla s LEU 126 Ca -0.02 1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 55.67 3hla s LEU 126 Cb -0.04 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.09 3hla s LEU 126 CO -0.01 -1.53 0.80 -0.54 -1.32 0.00 0.00 176.35 173.75 3hla s LYS 127 N -4.42 3.56 0.59 1.98 1.02 0.55 -4.75 119.74 118.27 3hla s LYS 127 Ca 0.63 0.25 0.29 0.00 0.02 0.00 0.00 55.97 57.16 3hla s LYS 127 Cb -0.17 -2.36 1.41 0.00 -0.52 0.00 0.00 37.83 36.19 3hla s LYS 127 CO 0.45 -0.22 1.81 1.49 -0.92 0.00 0.00 175.35 177.97 3hla h GLU 128 N 0.24 0.00 0.00 1.68 4.57 -1.89 0.46 114.58 119.65 3hla h GLU 128 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3hla h GLU 128 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3hla h GLU 128 CO 0.62 0.00 -0.44 -0.40 -1.18 0.00 0.00 179.01 177.61 3hla n ASP 129 N -3.63 0.57 -1.38 1.04 5.68 -1.26 -4.80 116.55 112.78 3hla n ASP 129 Ca 0.11 0.12 -0.17 0.00 -0.50 0.00 0.00 54.79 54.34 3hla n ASP 129 Cb 0.80 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.70 3hla n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hla n LEU 130 N -1.89 -1.30 0.00 -2.12 4.32 0.16 -4.80 117.00 111.37 3hla n LEU 130 Ca 0.05 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3hla n LEU 130 Cb 0.40 -2.46 0.00 0.00 -1.62 0.00 0.00 43.42 39.74 3hla n LEU 130 CO 0.34 -0.84 -0.43 0.54 -1.22 0.00 0.00 177.39 175.78 3hla n ARG 131 N -2.51 1.27 -4.58 3.23 1.74 -1.26 -4.72 116.66 109.84 3hla n ARG 131 Ca -0.18 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.63 3hla n ARG 131 Cb 0.57 -0.93 -0.09 0.00 -1.02 0.00 0.00 32.46 31.00 3hla n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hla s SER 132 N -1.86 3.15 -0.02 0.55 1.04 -1.26 -4.99 113.70 110.31 3hla s SER 132 Ca 0.00 -1.59 0.05 0.00 0.48 0.00 0.00 55.95 54.88 3hla s SER 132 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3hla s SER 132 CO 0.00 -0.81 -0.15 0.26 0.98 0.00 0.00 173.24 173.51 3hla s TRP 133 N -3.10 1.42 -0.50 5.02 0.52 -1.26 -0.33 118.94 120.71 3hla s TRP 133 Ca 0.22 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.89 3hla s TRP 133 Cb 0.04 -0.92 0.09 0.00 -1.15 0.00 0.00 33.47 31.52 3hla s TRP 133 CO 0.12 -0.05 0.47 0.99 0.02 0.00 0.00 176.95 178.50 3hla s THR 134 N -0.28 5.17 -0.17 2.01 2.01 -0.16 -4.91 115.64 119.30 3hla s THR 134 Ca 0.04 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 3hla s THR 134 Cb -0.07 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 3hla s THR 134 CO -0.00 -0.72 0.59 0.00 -0.69 0.00 0.00 174.62 173.80 3hla s ALA 135 N 1.80 3.51 -1.84 7.40 0.00 -1.26 -2.12 121.76 129.24 3hla s ALA 135 Ca 0.05 -0.25 0.29 0.00 0.00 0.00 0.00 51.96 52.06 3hla s ALA 135 Cb -0.25 -2.89 1.36 0.00 0.00 0.00 0.00 23.12 21.34 3hla s ALA 135 CO 0.06 -0.40 1.93 0.00 0.00 0.00 0.00 175.76 177.35 3hla n ALA 136 N 4.65 2.70 -3.90 0.00 0.00 -0.37 -4.87 120.51 118.72 3hla n ALA 136 Ca -0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 3hla n ALA 136 Cb 0.50 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3hla n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hla n ASP 137 N -0.81 -1.54 -0.00 0.00 2.03 -1.26 -5.03 116.55 109.94 3hla n ASP 137 Ca 0.17 -2.68 0.11 0.00 0.52 0.00 0.00 54.79 52.90 3hla n ASP 137 Cb 0.25 2.74 -0.13 0.00 -0.72 0.00 0.00 41.12 43.26 3hla n ASP 137 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3hla n MET 138 N -0.53 0.39 0.05 -0.67 2.81 -1.26 -2.27 117.12 115.64 3hla n MET 138 Ca -0.02 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.64 3hla n MET 138 Cb 0.55 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.45 3hla n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hla h ALA 139 N 2.41 -0.18 -0.10 3.04 0.00 -1.97 -2.74 119.26 119.72 3hla h ALA 139 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hla h ALA 139 Cb 0.80 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hla h ALA 139 CO 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.03 3hla h ALA 140 N -0.00 1.72 -0.14 0.00 0.00 -1.88 0.26 119.26 119.22 3hla h ALA 140 Ca -0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hla h ALA 140 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hla h ALA 140 CO 0.03 -0.16 -0.25 0.37 0.00 0.00 0.00 179.25 179.24 3hla h GLN 141 N 0.00 0.25 0.39 0.00 5.75 -1.35 0.56 115.11 120.71 3hla h GLN 141 Ca 0.05 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3hla h GLN 141 Cb 0.27 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3hla h GLN 141 CO -0.00 0.49 -0.19 1.15 -2.65 0.00 0.00 178.83 177.64 3hla h THR 142 N 0.23 0.63 -0.16 2.39 2.02 -0.17 -2.03 112.91 115.81 3hla h THR 142 Ca 0.04 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3hla h THR 142 Cb 0.57 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3hla h THR 142 CO 0.04 0.02 -0.06 0.74 0.37 0.00 0.00 175.52 176.63 3hla h THR 143 N -0.58 0.80 -0.94 3.16 2.02 -1.32 -0.18 112.91 115.86 3hla h THR 143 Ca -0.05 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.35 3hla h THR 143 Cb 0.44 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 3hla h THR 143 CO 0.09 0.00 0.62 0.50 0.37 0.00 0.00 175.52 177.10 3hla h LYS 144 N -0.03 0.39 -0.54 6.66 3.64 -0.89 0.11 116.57 125.91 3hla h LYS 144 Ca 0.08 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3hla h LYS 144 Cb 0.15 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hla h LYS 144 CO -0.18 0.26 -0.07 0.45 -2.27 0.00 0.00 179.45 177.63 3hla h HIS 145 N 0.40 1.09 0.22 1.91 3.86 -0.29 -0.19 115.15 122.15 3hla h HIS 145 Ca 0.50 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3hla h HIS 145 Cb 1.26 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.46 3hla h HIS 145 CO -0.00 1.00 -0.11 0.87 0.86 0.00 0.00 177.93 180.55 3hla h LYS 146 N 0.89 -0.29 -0.14 2.45 1.57 -0.72 -2.75 116.57 117.59 3hla h LYS 146 Ca 0.15 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3hla h LYS 146 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3hla h LYS 146 CO 0.04 0.09 0.03 -1.49 -0.57 0.00 0.00 179.45 177.55 3hla h TRP 147 N -0.78 0.19 -0.41 -1.35 4.06 -0.77 -0.52 115.95 116.38 3hla h TRP 147 Ca -0.03 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.85 3hla h TRP 147 Cb 0.51 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 3hla h TRP 147 CO 0.06 0.18 -0.01 0.93 -3.56 0.00 0.00 178.44 176.03 3hla h GLU 148 N 0.20 0.72 -0.52 0.49 5.08 -1.03 -1.73 114.58 117.80 3hla h GLU 148 Ca 0.05 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3hla h GLU 148 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hla h GLU 148 CO -0.00 0.81 0.28 0.00 -1.00 0.00 0.00 179.01 179.10 3hla h ALA 149 N 0.88 0.66 0.00 3.43 0.00 -1.05 -2.82 119.26 120.36 3hla h ALA 149 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hla h ALA 149 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hla h ALA 149 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3hla n ALA 150 N -2.29 2.32 -3.49 0.00 0.00 -0.27 -4.95 120.51 111.83 3hla n ALA 150 Ca 0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 3hla n ALA 150 Cb 0.08 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.15 3hla n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hla n HIS 151 N -1.49 -2.20 0.06 0.00 -0.00 -0.72 -4.95 115.22 105.92 3hla n HIS 151 Ca 0.07 0.93 -0.12 0.00 -0.00 0.00 0.00 57.72 58.60 3hla n HIS 151 Cb 0.33 -4.97 -0.09 0.00 -0.00 0.00 0.00 29.99 25.27 3hla n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hla h VAL 152 N -1.96 1.02 -1.06 1.59 2.07 -1.67 -3.08 116.25 113.17 3hla h VAL 152 Ca -0.59 -0.95 0.30 0.00 0.82 0.00 0.00 66.70 66.28 3hla h VAL 152 Cb 1.35 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.57 3hla h VAL 152 CO 0.52 0.21 0.65 0.00 0.02 0.00 0.00 177.57 178.97 3hla h ALA 153 N 0.07 2.12 -0.28 1.67 0.00 -1.92 0.53 119.26 121.45 3hla h ALA 153 Ca -0.02 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3hla h ALA 153 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hla h ALA 153 CO 0.03 -0.63 -0.47 0.93 0.00 0.00 0.00 179.25 179.12 3hla h GLU 154 N 0.38 0.75 -0.38 0.00 5.08 -1.84 -1.62 114.58 116.94 3hla h GLU 154 Ca 0.68 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3hla h GLU 154 Cb 1.63 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 3hla h GLU 154 CO -0.44 1.05 0.21 1.96 -1.00 0.00 0.00 179.01 180.79 3hla h GLN 155 N 0.60 0.42 -0.02 2.33 1.08 -0.83 -2.76 115.11 115.93 3hla h GLN 155 Ca 0.03 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 3hla h GLN 155 Cb 1.03 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 3hla h GLN 155 CO 0.10 0.28 -0.54 -0.07 -0.95 0.00 0.00 178.83 177.65 3hla h LEU 156 N 0.43 0.06 -0.48 1.46 4.07 -1.12 -3.00 115.31 116.73 3hla h LEU 156 Ca 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3hla h LEU 156 Cb 0.03 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3hla h LEU 156 CO -0.09 0.59 0.31 -0.09 -1.08 0.00 0.00 178.44 178.09 3hla h ARG 157 N 0.05 0.64 -0.61 1.13 2.43 -1.01 0.14 114.38 117.15 3hla h ARG 157 Ca -0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hla h ARG 157 Cb 0.97 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3hla h ARG 157 CO 0.07 0.44 0.37 0.00 -1.51 0.00 0.00 179.97 179.34 3hla h ALA 158 N 1.17 0.79 -0.14 2.80 0.00 -1.38 -0.19 119.26 122.32 3hla h ALA 158 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hla h ALA 158 Cb -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hla h ALA 158 CO -0.04 0.11 -0.06 -0.92 0.00 0.00 0.00 179.25 178.34 3hla h TYR 159 N 0.73 0.32 0.00 0.00 3.20 -1.43 0.12 116.97 119.92 3hla h TYR 159 Ca 0.25 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3hla h TYR 159 Cb 0.03 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hla h TYR 159 CO -0.06 0.61 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.88 3hla h LEU 160 N -0.06 0.00 0.00 2.82 3.38 -0.60 -0.79 115.31 120.07 3hla h LEU 160 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hla h LEU 160 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hla h LEU 160 CO 0.02 0.13 -1.33 -0.62 0.09 0.00 0.00 178.44 176.73 3hla n GLU 161 N -3.41 0.40 0.00 1.13 1.02 -0.12 -4.43 120.64 115.23 3hla n GLU 161 Ca -0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3hla n GLU 161 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3hla n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hla n GLY 162 N 1.42 0.61 0.33 0.62 0.00 0.42 -4.66 105.19 103.93 3hla n GLY 162 Ca 0.01 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.28 3hla n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hla h THR 163 N 0.00 0.06 -0.07 2.61 2.02 -1.64 0.37 112.91 116.26 3hla h THR 163 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hla h THR 163 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3hla h THR 163 CO 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 3hla h VAL 165 N -0.19 1.14 -0.79 0.00 2.07 -1.19 0.10 116.25 117.39 3hla h VAL 165 Ca 0.02 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 66.97 3hla h VAL 165 Cb 0.38 1.59 -0.14 0.00 -1.52 0.00 0.00 31.29 31.60 3hla h VAL 165 CO 0.01 0.17 -0.35 -0.33 0.02 0.00 0.00 177.57 177.09 3hla h GLU 166 N -0.40 -0.08 0.00 1.57 3.07 -1.23 0.14 114.58 117.66 3hla h GLU 166 Ca -0.01 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3hla h GLU 166 Cb 0.35 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3hla h GLU 166 CO 0.01 -0.05 -0.14 -1.49 -1.40 0.00 0.00 179.01 175.95 3hla h TRP 167 N -0.08 0.00 -0.22 4.33 4.06 -0.60 -2.79 115.95 120.64 3hla h TRP 167 Ca 0.30 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.16 3hla h TRP 167 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3hla h TRP 167 CO -0.74 0.11 -0.21 1.25 -3.56 0.00 0.00 178.44 175.29 3hla h LEU 168 N 0.00 0.57 -0.71 -4.49 5.85 0.44 -2.19 115.31 114.78 3hla h LEU 168 Ca -0.00 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.33 3hla h LEU 168 Cb 1.09 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3hla h LEU 168 CO 0.01 0.92 0.36 0.03 -0.34 0.00 0.00 178.44 179.43 3hla h ARG 169 N 0.23 0.61 -0.02 1.25 3.08 -0.98 -1.63 114.38 116.91 3hla h ARG 169 Ca 0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3hla h ARG 169 Cb 0.76 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3hla h ARG 169 CO 0.05 0.40 -0.68 0.07 -1.07 0.00 0.00 179.97 178.75 3hla h ARG 170 N 0.63 0.09 -0.24 0.04 0.11 -1.40 -1.98 114.38 111.63 3hla h ARG 170 Ca 0.34 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 60.31 3hla h ARG 170 Cb 0.34 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 3hla h ARG 170 CO -0.25 0.73 -0.03 1.88 0.10 0.00 0.00 179.97 182.40 3hla h TYR 171 N 0.06 0.38 -0.17 4.08 0.99 -0.77 0.13 116.97 121.67 3hla h TYR 171 Ca -0.01 -0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.48 3hla h TYR 171 Cb 1.20 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.83 3hla h TYR 171 CO 0.01 0.41 -0.70 -0.07 -0.00 0.00 0.00 178.16 177.81 3hla h LEU 172 N 0.36 0.85 0.13 3.88 3.38 -0.98 -1.78 115.31 121.15 3hla h LEU 172 Ca 0.08 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3hla h LEU 172 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hla h LEU 172 CO 0.01 1.31 -0.06 -0.08 0.09 0.00 0.00 178.44 179.71 3hla h GLU 173 N 0.52 -0.17 0.00 1.13 4.81 -0.61 0.30 114.58 120.56 3hla h GLU 173 Ca -0.03 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hla h GLU 173 Cb 1.31 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 3hla h GLU 173 CO 0.14 0.25 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.76 3hla h ASN 174 N -0.69 0.00 -0.25 1.04 4.21 -0.85 -2.23 115.58 116.81 3hla h ASN 174 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3hla h ASN 174 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3hla h ASN 174 CO 0.03 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 3hla n GLY 175 N -0.96 2.90 0.13 2.83 0.00 -0.67 -4.81 105.19 104.61 3hla n GLY 175 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 3hla n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hla n LYS 176 N 0.18 -0.09 -0.15 1.61 0.00 0.11 -0.68 118.16 119.14 3hla n LYS 176 Ca 0.09 0.50 0.28 0.00 0.00 0.00 0.00 58.31 59.18 3hla n LYS 176 Cb 0.40 -0.74 0.69 0.00 0.00 0.00 0.00 35.03 35.38 3hla n LYS 176 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3hla h GLU 177 N 0.00 0.00 0.00 1.64 3.07 -1.87 -2.39 114.58 115.03 3hla h GLU 177 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3hla h GLU 177 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3hla h GLU 177 CO -0.32 0.00 -0.27 0.25 -1.40 0.00 0.00 179.01 177.27 3hla n THR 178 N -3.81 0.18 0.01 1.13 -2.24 -0.71 -4.68 114.28 104.17 3hla n THR 178 Ca 0.18 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 3hla n THR 178 Cb 1.08 -0.93 0.58 0.00 -2.10 0.00 0.00 70.33 68.96 3hla n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hla h LEU 179 N 0.00 0.19 -4.09 3.22 4.07 -0.97 -0.50 115.31 117.24 3hla h LEU 179 Ca 0.00 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.33 3hla h LEU 179 Cb 0.27 -0.04 -0.36 0.00 1.08 0.00 0.00 40.66 41.61 3hla h LEU 179 CO 0.00 0.12 0.06 0.00 -1.08 0.00 0.00 178.44 177.54 3hla n GLN 180 N -4.45 3.14 -3.61 1.13 6.02 -0.90 -4.89 117.38 113.82 3hla n GLN 180 Ca 0.07 -3.80 -0.23 0.00 -0.01 0.00 0.00 57.00 53.03 3hla n GLN 180 Cb 0.39 -2.28 -0.17 0.00 1.02 0.00 0.00 30.24 29.20 3hla n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3hla s ARG 181 N -3.74 0.05 -0.07 -1.09 3.52 -0.20 -4.95 118.95 112.47 3hla s ARG 181 Ca 0.56 0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 56.04 3hla s ARG 181 Cb 0.45 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 32.39 3hla s ARG 181 CO -0.06 -0.58 0.58 0.95 -0.81 0.00 0.00 175.30 175.38 3hla s THR 182 N 2.18 5.08 -0.32 4.11 -4.23 -1.26 -4.84 115.64 116.36 3hla s THR 182 Ca 0.03 1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.68 3hla s THR 182 Cb -0.15 -3.92 0.04 0.00 1.34 0.00 0.00 72.50 69.81 3hla s THR 182 CO -0.08 0.33 0.06 -1.81 -0.54 0.00 0.00 174.62 172.57 3hla s ASP 183 N 0.47 5.10 0.65 3.99 1.01 -0.42 -4.93 116.67 122.54 3hla s ASP 183 Ca 0.31 -1.10 -0.15 0.00 0.71 0.00 0.00 52.55 52.32 3hla s ASP 183 Cb -0.17 -1.81 -0.00 0.00 1.01 0.00 0.00 42.92 41.95 3hla s ASP 183 CO 0.15 -0.28 1.10 0.00 0.21 0.00 0.00 175.17 176.35 3hla s ALA 184 N 1.37 2.52 0.41 5.23 0.00 -1.26 0.14 121.76 130.16 3hla s ALA 184 Ca -0.02 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 3hla s ALA 184 Cb -0.19 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3hla s ALA 184 CO 0.01 -1.21 1.15 -1.25 0.00 0.00 0.00 175.76 174.47 3hla s PRO 185 N -4.14 4.04 -0.48 0.00 0.04 -1.26 -4.42 135.00 128.77 3hla s PRO 185 Ca 0.66 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 3hla s PRO 185 Cb -0.19 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.77 3hla s PRO 185 CO 0.41 -0.32 0.51 0.15 0.04 0.00 0.00 177.00 177.80 3hla s LYS 186 N -2.37 3.07 0.34 4.56 1.02 -0.20 -4.87 119.74 121.30 3hla s LYS 186 Ca 0.58 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.60 3hla s LYS 186 Cb -0.29 -4.09 -0.01 0.00 -0.52 0.00 0.00 37.83 32.92 3hla s LYS 186 CO 0.37 -1.09 0.49 0.95 -0.92 0.00 0.00 175.35 175.14 3hla s THR 187 N 2.21 4.30 -0.15 2.17 -4.23 -1.26 -1.38 115.64 117.29 3hla s THR 187 Ca 0.11 -0.89 -0.34 0.00 -1.18 0.00 0.00 61.69 59.39 3hla s THR 187 Cb -0.20 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 70.25 3hla s THR 187 CO 0.10 -0.23 1.15 -1.38 -0.54 0.00 0.00 174.62 173.72 3hla s HIS 188 N -2.21 -0.17 0.09 3.99 -3.43 -0.80 -5.00 115.29 107.76 3hla s HIS 188 Ca 0.43 0.11 0.08 0.00 -0.80 0.00 0.00 55.06 54.88 3hla s HIS 188 Cb -0.10 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 3hla s HIS 188 CO 0.32 -0.27 -0.21 1.41 -2.00 0.00 0.00 174.74 173.99 3hla s MET 189 N -2.55 1.22 0.44 -0.38 1.75 -1.26 -1.20 119.30 117.32 3hla s MET 189 Ca 0.09 -1.12 0.07 0.00 -1.25 0.00 0.00 55.69 53.47 3hla s MET 189 Cb -0.01 -1.47 -0.04 0.00 2.84 0.00 0.00 34.83 36.15 3hla s MET 189 CO -0.05 0.35 0.19 0.95 -0.65 0.00 0.00 175.02 175.81 3hla s THR 190 N -1.06 2.12 -0.03 10.11 -4.23 0.01 -4.95 115.64 117.60 3hla s THR 190 Ca 0.07 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3hla s THR 190 Cb -0.10 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.96 3hla s THR 190 CO 0.04 0.00 0.04 -2.28 -0.54 0.00 0.00 174.62 171.88 3hla s HIS 191 N -2.65 0.06 -0.13 3.99 5.04 -1.26 -1.61 115.29 118.73 3hla s HIS 191 Ca 0.37 0.17 -0.01 0.00 -1.54 0.00 0.00 55.06 54.05 3hla s HIS 191 Cb 0.03 -0.34 0.04 0.00 0.04 0.00 0.00 32.58 32.34 3hla s HIS 191 CO 0.21 -0.13 -0.03 -1.01 -2.34 0.00 0.00 174.74 171.43 3hla s HIS 192 N 1.50 1.26 -0.51 3.88 3.76 -0.02 -4.93 115.29 120.24 3hla s HIS 192 Ca -0.04 -0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 53.87 3hla s HIS 192 Cb -0.13 -1.11 0.03 0.00 1.11 0.00 0.00 32.58 32.48 3hla s HIS 192 CO -0.03 -0.51 1.17 0.00 -0.85 0.00 0.00 174.74 174.51 3hla s ALA 193 N 1.78 3.10 0.32 -1.40 0.00 -1.26 -1.05 121.76 123.24 3hla s ALA 193 Ca 0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 3hla s ALA 193 Cb -0.14 -3.94 0.51 0.00 0.00 0.00 0.00 23.12 19.55 3hla s ALA 193 CO -0.07 -2.39 1.98 0.28 0.00 0.00 0.00 175.76 175.56 3hla h VAL 194 N 6.23 1.19 -2.82 0.00 2.07 -1.59 -3.46 116.25 117.86 3hla h VAL 194 Ca -0.24 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3hla h VAL 194 Cb 1.06 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hla h VAL 194 CO 1.15 0.19 0.07 -0.24 0.02 0.00 0.00 177.57 178.76 3hla n SER 195 N -4.42 -1.18 0.20 0.57 2.88 -0.97 -4.99 113.62 105.72 3hla n SER 195 Ca 0.08 -2.03 0.07 0.00 -1.33 0.00 0.00 58.87 55.66 3hla n SER 195 Cb 0.04 2.03 0.39 0.00 -0.75 0.00 0.00 64.21 65.92 3hla n SER 195 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3hla h ASP 196 N 1.19 0.00 -0.13 -3.46 -0.00 -2.02 -3.20 116.42 108.80 3hla h ASP 196 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 3hla h ASP 196 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 3hla h ASP 196 CO 0.24 0.32 0.00 1.41 -0.00 0.00 0.00 179.24 181.22 3hla n HIS 197 N -3.54 0.17 -3.71 0.28 8.25 -1.26 -4.86 115.22 110.54 3hla n HIS 197 Ca -0.00 -0.25 -0.14 0.00 -0.26 0.00 0.00 57.72 57.06 3hla n HIS 197 Cb 0.46 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 3hla n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hla s GLU 198 N -0.83 0.72 0.14 -0.41 8.01 -1.21 -2.08 118.70 123.04 3hla s GLU 198 Ca 0.13 0.01 0.05 0.00 0.01 0.00 0.00 54.97 55.16 3hla s GLU 198 Cb 0.08 0.33 -0.04 0.00 -4.31 0.00 0.00 34.13 30.18 3hla s GLU 198 CO 0.11 -0.19 -0.10 0.00 0.01 0.00 0.00 175.26 175.08 3hla s ALA 199 N -1.07 1.43 -0.18 5.21 0.00 -0.87 -1.52 121.76 124.76 3hla s ALA 199 Ca -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 3hla s ALA 199 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3hla s ALA 199 CO 0.05 -0.08 -0.04 0.99 0.00 0.00 0.00 175.76 176.68 3hla s THR 200 N -3.21 3.70 -0.31 0.00 2.01 -0.22 -0.76 115.64 116.86 3hla s THR 200 Ca 0.16 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 3hla s THR 200 Cb 0.02 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 3hla s THR 200 CO 0.01 0.46 0.26 -0.76 -0.69 0.00 0.00 174.62 173.90 3hla s LEU 201 N 0.76 4.27 -0.26 4.42 1.43 -0.38 -0.84 118.68 128.09 3hla s LEU 201 Ca -0.02 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3hla s LEU 201 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3hla s LEU 201 CO 0.02 -0.18 0.10 -0.60 0.23 0.00 0.00 176.35 175.92 3hla s ARG 202 N 1.84 3.72 -0.35 1.70 3.52 -0.63 -2.28 118.95 126.46 3hla s ARG 202 Ca 0.09 -0.44 -0.13 0.00 -0.13 0.00 0.00 55.73 55.12 3hla s ARG 202 Cb -0.17 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3hla s ARG 202 CO 0.11 -0.19 0.24 0.00 -0.81 0.00 0.00 175.30 174.64 3hla s TRP 204 N 1.69 3.26 -0.25 0.00 0.52 -0.34 -1.06 118.94 122.76 3hla s TRP 204 Ca 0.06 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.27 3hla s TRP 204 Cb -0.18 -2.22 0.04 0.00 -1.15 0.00 0.00 33.47 29.96 3hla s TRP 204 CO 0.10 0.02 -0.09 0.00 0.02 0.00 0.00 176.95 177.00 3hla s ALA 205 N 0.98 2.62 0.46 0.98 0.00 0.07 -1.91 121.76 124.97 3hla s ALA 205 Ca 0.06 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.51 3hla s ALA 205 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3hla s ALA 205 CO 0.03 -0.92 0.06 -0.51 0.00 0.00 0.00 175.76 174.43 3hla s LEU 206 N 1.24 2.69 -1.70 0.00 1.43 -0.48 -1.38 118.68 120.49 3hla s LEU 206 Ca -0.03 -1.42 -0.21 0.00 -1.03 0.00 0.00 54.13 51.45 3hla s LEU 206 Cb -0.17 -0.95 0.21 0.00 0.03 0.00 0.00 46.19 45.30 3hla s LEU 206 CO -0.05 -0.66 0.58 -1.20 0.23 0.00 0.00 176.35 175.24 3hla n SER 207 N -1.18 -2.02 -4.86 2.29 7.64 -1.15 -1.03 113.62 113.31 3hla n SER 207 Ca -0.09 -1.06 -0.26 0.00 1.01 0.00 0.00 58.87 58.47 3hla n SER 207 Cb 0.66 -1.74 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 3hla n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hla s PHE 208 N -3.14 3.29 -0.11 1.43 -0.12 -0.99 -4.66 117.98 113.68 3hla s PHE 208 Ca 0.75 0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 57.59 3hla s PHE 208 Cb -0.43 -1.58 0.04 0.00 -0.63 0.00 0.00 43.02 40.42 3hla s PHE 208 CO 0.92 0.52 0.27 -0.47 -0.05 0.00 0.00 175.22 176.41 3hla s TYR 209 N -1.75 -0.34 1.46 3.49 6.14 0.12 -1.37 117.35 125.10 3hla s TYR 209 Ca 0.32 0.81 -0.24 0.00 0.64 0.00 0.00 57.07 58.61 3hla s TYR 209 Cb -0.10 0.10 0.37 0.00 0.42 0.00 0.00 41.96 42.75 3hla s TYR 209 CO 0.26 -0.20 0.85 -2.30 0.64 0.00 0.00 175.55 174.80 3hla n PRO 210 N 3.60 -4.73 0.10 4.97 -0.02 -1.26 -1.30 135.00 136.36 3hla n PRO 210 Ca -0.19 -1.41 0.13 0.00 -2.02 0.00 0.00 63.50 60.01 3hla n PRO 210 Cb 0.56 -1.90 0.39 0.00 -0.02 0.00 0.00 33.50 32.53 3hla n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hla n ALA 211 N -5.77 2.31 -2.44 3.55 0.00 -1.26 -4.82 120.51 112.08 3hla n ALA 211 Ca 0.13 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 3hla n ALA 211 Cb 0.59 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3hla n ALA 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hla s GLU 212 N -3.10 4.11 0.01 0.00 2.12 -1.26 -4.99 118.70 115.59 3hla s GLU 212 Ca 0.10 1.48 0.00 0.00 0.36 0.00 0.00 54.97 56.92 3hla s GLU 212 Cb 0.12 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 3hla s GLU 212 CO 0.60 -0.86 -0.03 -1.50 -0.54 0.00 0.00 175.26 172.94 3hla s ILE 213 N 3.81 0.16 -0.22 -3.70 1.10 -1.26 -4.58 121.20 116.51 3hla s ILE 213 Ca 0.54 -0.55 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 3hla s ILE 213 Cb -0.19 -0.23 0.03 0.00 0.15 0.00 0.00 42.46 42.22 3hla s ILE 213 CO 0.17 -0.25 -0.15 -0.89 -2.11 0.00 0.00 174.94 171.72 3hla s THR 214 N -0.81 2.27 -0.25 4.00 2.01 0.44 -4.98 115.64 118.33 3hla s THR 214 Ca -0.08 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 3hla s THR 214 Cb -0.06 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3hla s THR 214 CO -0.00 0.31 0.01 -0.76 -0.69 0.00 0.00 174.62 173.49 3hla s LEU 215 N 1.25 3.24 -0.01 4.42 1.02 -1.26 -1.38 118.68 125.96 3hla s LEU 215 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.71 3hla s LEU 215 Cb -0.16 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 3hla s LEU 215 CO -0.09 -0.07 -0.05 0.42 0.02 0.00 0.00 176.35 176.58 3hla s THR 216 N 1.50 0.43 0.42 5.49 -4.23 -0.51 -4.98 115.64 113.76 3hla s THR 216 Ca 0.05 -0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3hla s THR 216 Cb -0.15 -0.38 -0.01 0.00 1.34 0.00 0.00 72.50 73.30 3hla s THR 216 CO -0.01 0.13 0.64 0.26 -0.54 0.00 0.00 174.62 175.11 3hla s TRP 217 N -0.03 3.33 -0.00 3.99 0.52 -1.26 -0.08 118.94 125.40 3hla s TRP 217 Ca 0.01 0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.41 3hla s TRP 217 Cb -0.03 -2.19 -0.00 0.00 -1.15 0.00 0.00 33.47 30.09 3hla s TRP 217 CO -0.00 -0.21 0.06 -0.65 0.02 0.00 0.00 176.95 176.16 3hla s GLN 218 N -4.50 0.29 -0.14 4.98 -0.21 0.36 -2.61 119.66 117.84 3hla s GLN 218 Ca 0.46 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.54 3hla s GLN 218 Cb -0.10 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.03 3hla s GLN 218 CO 0.38 -0.06 -0.20 0.50 -2.12 0.00 0.00 175.29 173.79 3hla s ARG 219 N -0.96 3.09 -1.56 2.91 3.52 0.02 -1.20 118.95 124.77 3hla s ARG 219 Ca -0.11 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 54.56 3hla s ARG 219 Cb -0.06 -2.48 0.09 0.00 -1.56 0.00 0.00 34.95 30.94 3hla s ARG 219 CO 0.00 0.03 0.69 -0.25 -0.81 0.00 0.00 175.30 174.96 3hla n ASP 220 N 3.97 -2.47 0.00 -2.12 10.43 0.05 -0.61 116.55 125.80 3hla n ASP 220 Ca -0.20 -0.97 0.00 0.00 2.57 0.00 0.00 54.79 56.20 3hla n ASP 220 Cb 0.52 -3.08 0.00 0.00 1.84 0.00 0.00 41.12 40.39 3hla n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hla n GLY 221 N -1.66 0.94 3.70 0.44 0.00 -1.26 -5.00 105.19 102.35 3hla n GLY 221 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3hla n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hla s GLU 222 N -0.21 2.60 0.55 1.61 2.12 0.22 -5.06 118.70 120.53 3hla s GLU 222 Ca 0.00 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.33 3hla s GLU 222 Cb 0.00 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 3hla s GLU 222 CO 0.00 0.55 1.18 -0.51 -0.54 0.00 0.00 175.26 175.94 3hla s ASP 223 N -2.25 5.58 -0.01 -1.70 1.01 -1.26 -0.80 116.67 117.24 3hla s ASP 223 Ca 0.26 2.31 0.06 0.00 0.71 0.00 0.00 52.55 55.89 3hla s ASP 223 Cb -0.12 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 3hla s ASP 223 CO 0.18 -1.32 -0.20 -1.58 0.21 0.00 0.00 175.17 172.46 3hla s GLN 224 N -3.17 1.56 0.00 8.23 2.00 -1.07 -4.76 119.66 122.44 3hla s GLN 224 Ca 0.73 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 53.35 3hla s GLN 224 Cb -0.28 -1.53 0.00 0.00 0.80 0.00 0.00 33.01 32.00 3hla s GLN 224 CO 0.32 0.42 0.00 0.25 -0.50 0.00 0.00 175.29 175.77 3hla n THR 225 N 2.48 0.00 -1.92 -0.34 -2.24 -1.26 -4.47 114.28 106.52 3hla n THR 225 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 3hla n THR 225 Cb 0.53 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 3hla n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hla s GLN 226 N -1.33 4.21 -1.37 -0.78 -1.52 -1.26 -2.96 119.66 114.65 3hla s GLN 226 Ca 0.00 2.41 -0.07 0.00 -1.95 0.00 0.00 55.36 55.75 3hla s GLN 226 Cb 0.00 -3.07 0.03 0.00 -0.22 0.00 0.00 33.01 29.74 3hla s GLN 226 CO 0.00 -0.50 1.01 -0.25 -0.25 0.00 0.00 175.29 175.30 3hla n ASP 227 N 2.24 -4.24 -4.07 5.90 9.92 -1.26 -4.87 116.55 120.17 3hla n ASP 227 Ca 0.07 -0.67 -0.32 0.00 -0.53 0.00 0.00 54.79 53.34 3hla n ASP 227 Cb 0.39 -4.56 -0.15 0.00 -0.64 0.00 0.00 41.12 36.16 3hla n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3hla s THR 228 N -3.38 2.05 0.25 -3.53 2.01 -1.16 -1.56 115.64 110.33 3hla s THR 228 Ca 0.40 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 3hla s THR 228 Cb -0.19 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3hla s THR 228 CO 0.77 0.14 0.46 -0.70 -0.69 0.00 0.00 174.62 174.60 3hla s GLU 229 N 1.20 3.54 0.02 4.92 2.56 -0.83 -4.92 118.70 125.19 3hla s GLU 229 Ca -0.04 -0.26 -0.20 0.00 0.00 0.00 0.00 54.97 54.46 3hla s GLU 229 Cb -0.18 -2.76 0.04 0.00 2.00 0.00 0.00 34.13 33.24 3hla s GLU 229 CO -0.07 0.31 0.46 -1.17 -0.56 0.00 0.00 175.26 174.22 3hla s LEU 230 N -3.57 0.20 0.33 2.70 2.96 -1.26 -0.09 118.68 119.94 3hla s LEU 230 Ca 0.40 0.15 0.10 0.00 -0.22 0.00 0.00 54.13 54.56 3hla s LEU 230 Cb -0.11 1.88 -0.05 0.00 0.50 0.00 0.00 46.19 48.41 3hla s LEU 230 CO 0.30 -0.64 -0.04 0.68 -1.32 0.00 0.00 176.35 175.33 3hla s VAL 231 N -2.14 2.59 0.36 1.68 -7.23 -0.83 -5.00 120.40 109.84 3hla s VAL 231 Ca -0.07 -2.08 -0.27 0.00 -1.81 0.00 0.00 61.98 57.75 3hla s VAL 231 Cb -0.01 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 3hla s VAL 231 CO 0.00 -0.24 1.27 -0.70 -0.31 0.00 0.00 175.10 175.12 3hla s GLU 232 N -3.66 4.22 0.09 4.82 2.12 -1.26 -4.77 118.70 120.26 3hla s GLU 232 Ca 0.33 2.11 -0.31 0.00 0.36 0.00 0.00 54.97 57.46 3hla s GLU 232 Cb -0.01 -2.93 -0.10 0.00 0.26 0.00 0.00 34.13 31.36 3hla s GLU 232 CO 0.18 -0.27 1.80 0.99 -0.54 0.00 0.00 175.26 177.42 3hla s THR 233 N -1.22 2.75 0.13 -1.70 2.01 -1.26 -4.86 115.64 111.48 3hla s THR 233 Ca 0.52 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.77 3hla s THR 233 Cb -0.37 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3hla s THR 233 CO 0.49 -0.00 -0.06 0.00 -0.69 0.00 0.00 174.62 174.35 3hla s ARG 234 N 2.96 2.24 0.13 4.92 1.70 -0.69 -4.98 118.95 125.23 3hla s ARG 234 Ca 0.80 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 3hla s ARG 234 Cb -0.44 -2.33 -0.06 0.00 -0.57 0.00 0.00 34.95 31.55 3hla s ARG 234 CO 0.36 0.49 1.06 -1.25 -1.08 0.00 0.00 175.30 174.88 3hla s PRO 235 N -2.45 4.61 0.37 3.89 0.04 -1.26 -1.75 135.00 138.45 3hla s PRO 235 Ca 0.24 1.62 0.19 0.00 0.04 0.00 0.00 61.00 63.08 3hla s PRO 235 Cb -0.11 -3.33 0.64 0.00 0.04 0.00 0.00 34.50 31.74 3hla s PRO 235 CO 0.16 0.08 1.71 0.00 0.04 0.00 0.00 177.00 178.98 3hla h ALA 236 N 5.55 0.95 0.00 8.56 0.00 -1.53 -3.47 119.26 129.33 3hla h ALA 236 Ca -0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3hla h ALA 236 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hla h ALA 236 CO 0.73 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.85 3hla n GLY 237 N 0.36 0.48 0.45 0.00 0.00 -1.26 -4.94 105.19 100.27 3hla n GLY 237 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3hla n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hla n ASP 238 N 0.00 2.42 0.00 1.61 3.85 -1.26 -4.96 116.55 118.21 3hla n ASP 238 Ca 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 3hla n ASP 238 Cb 0.00 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 3hla n ASP 238 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hla n GLY 239 N 0.34 0.60 3.76 6.12 0.00 -1.26 -5.08 105.19 109.67 3hla n GLY 239 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3hla n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hla n THR 240 N -1.34 0.00 -4.14 2.61 -2.24 -1.26 -4.85 114.28 103.06 3hla n THR 240 Ca 0.00 -2.23 -0.12 0.00 -2.27 0.00 0.00 64.05 59.43 3hla n THR 240 Cb 0.00 0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 3hla n THR 240 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hla s PHE 241 N -2.75 0.87 0.13 4.78 0.08 -0.47 -1.30 117.98 119.32 3hla s PHE 241 Ca 0.23 -0.73 0.08 0.00 0.12 0.00 0.00 56.93 56.63 3hla s PHE 241 Cb -0.02 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 3hla s PHE 241 CO 0.15 -0.09 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.32 3hla s GLN 242 N -2.93 1.19 -0.11 0.44 -0.21 -0.72 -2.34 119.66 114.98 3hla s GLN 242 Ca 0.04 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 53.86 3hla s GLN 242 Cb -0.01 -1.39 0.09 0.00 1.00 0.00 0.00 33.01 32.69 3hla s GLN 242 CO -0.02 0.31 0.78 0.21 -2.12 0.00 0.00 175.29 174.45 3hla s LYS 243 N -2.23 0.90 0.07 2.91 2.20 -0.48 -1.70 119.74 121.40 3hla s LYS 243 Ca 0.10 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3hla s LYS 243 Cb -0.08 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 3hla s LYS 243 CO 0.05 -0.26 -0.05 1.67 -0.36 0.00 0.00 175.35 176.40 3hla s TRP 244 N -0.96 0.67 -0.04 4.03 1.48 -1.26 -0.75 118.94 122.11 3hla s TRP 244 Ca -0.07 -0.94 -0.00 0.00 -1.06 0.00 0.00 56.10 54.02 3hla s TRP 244 Cb -0.01 -0.43 0.03 0.00 -1.16 0.00 0.00 33.47 31.89 3hla s TRP 244 CO 0.06 -0.25 0.00 0.00 -4.06 0.00 0.00 176.95 172.70 3hla s ALA 245 N -3.53 0.45 0.49 2.67 0.00 -0.23 -1.96 121.76 119.65 3hla s ALA 245 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3hla s ALA 245 Cb 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3hla s ALA 245 CO -0.07 -0.20 0.35 0.00 0.00 0.00 0.00 175.76 175.84 3hla s ALA 246 N 1.35 4.19 -0.24 0.00 0.00 0.87 -1.25 121.76 126.68 3hla s ALA 246 Ca -0.05 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 3hla s ALA 246 Cb -0.13 -0.72 0.07 0.00 0.00 0.00 0.00 23.12 22.34 3hla s ALA 246 CO -0.02 -0.34 0.63 0.54 0.00 0.00 0.00 175.76 176.57 3hla s VAL 247 N -2.67 -0.00 -0.04 0.00 0.11 -0.97 -1.96 120.40 114.86 3hla s VAL 247 Ca 0.38 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.35 3hla s VAL 247 Cb -0.01 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3hla s VAL 247 CO 0.23 0.00 0.27 -0.69 -3.33 0.00 0.00 175.10 171.58 3hla s VAL 248 N 0.71 5.29 0.12 2.04 1.01 -0.60 -1.25 120.40 127.72 3hla s VAL 248 Ca -0.03 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3hla s VAL 248 Cb -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3hla s VAL 248 CO -0.05 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 3hla s VAL 249 N -1.13 1.03 0.16 2.92 1.01 0.06 -4.97 120.40 119.47 3hla s VAL 249 Ca 0.22 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 3hla s VAL 249 Cb -0.14 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 3hla s VAL 249 CO 0.11 -0.68 1.02 -2.84 0.00 0.00 0.00 175.10 172.70 3hla s PRO 250 N -3.36 4.68 -0.21 2.72 0.02 -1.26 -2.05 135.00 135.54 3hla s PRO 250 Ca 0.11 1.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.41 3hla s PRO 250 Cb 0.01 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 3hla s PRO 250 CO -0.00 0.20 1.47 -1.54 -0.33 0.00 0.00 177.00 176.80 3hla s SER 251 N -0.22 6.60 0.00 2.53 1.04 -0.89 -1.19 113.70 121.58 3hla s SER 251 Ca 0.47 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3hla s SER 251 Cb -0.26 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3hla s SER 251 CO 0.32 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3hla n GLY 252 N 4.30 1.46 1.18 7.32 0.00 -1.26 -4.94 105.19 113.26 3hla n GLY 252 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3hla n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hla n GLN 253 N 0.00 3.41 0.00 1.61 1.13 -0.33 -4.63 117.38 118.57 3hla n GLN 253 Ca 0.00 -2.72 0.11 0.00 -1.94 0.00 0.00 57.00 52.45 3hla n GLN 253 Cb 0.00 -1.78 0.60 0.00 0.11 0.00 0.00 30.24 29.16 3hla n GLN 253 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3hla n GLU 254 N 0.40 0.41 0.13 -1.09 0.00 -1.26 -1.84 120.64 117.39 3hla n GLU 254 Ca 0.21 0.06 0.02 0.00 0.00 0.00 0.00 57.16 57.45 3hla n GLU 254 Cb 0.82 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 31.12 3hla n GLU 254 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3hla h GLN 255 N 0.00 0.19 0.00 3.44 7.50 -1.97 -2.75 115.11 121.52 3hla h GLN 255 Ca 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 3hla h GLN 255 Cb 0.17 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 3hla h GLN 255 CO 0.00 0.42 -0.18 0.00 -1.50 0.00 0.00 178.83 177.57 3hla h ARG 256 N 0.17 0.00 -5.26 1.46 3.08 -1.75 -3.44 114.38 108.66 3hla h ARG 256 Ca 0.03 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.47 3hla h ARG 256 Cb 0.51 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 3hla h ARG 256 CO 0.03 0.18 -0.53 0.71 -1.07 0.00 0.00 179.97 179.29 3hla s TYR 257 N -4.44 3.31 0.05 3.04 2.02 -1.04 -0.77 117.35 119.52 3hla s TYR 257 Ca -0.03 0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.88 3hla s TYR 257 Cb 0.15 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3hla s TYR 257 CO 0.66 0.19 -0.14 0.95 -1.57 0.00 0.00 175.55 175.63 3hla s THR 258 N 0.44 1.11 -0.14 -0.71 -4.23 -0.34 -4.97 115.64 106.79 3hla s THR 258 Ca 0.05 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3hla s THR 258 Cb -0.12 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3hla s THR 258 CO -0.00 -0.08 0.09 0.00 -0.54 0.00 0.00 174.62 174.09 3hla s HIS 260 N -0.42 2.89 -0.21 0.00 3.76 0.89 -4.18 115.29 118.02 3hla s HIS 260 Ca 0.10 -0.98 -0.06 0.00 -0.15 0.00 0.00 55.06 53.98 3hla s HIS 260 Cb -0.12 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 3hla s HIS 260 CO 0.02 -0.50 0.02 0.08 -0.85 0.00 0.00 174.74 173.51 3hla s VAL 261 N 1.13 4.13 -0.09 -0.90 1.01 0.60 -1.42 120.40 124.86 3hla s VAL 261 Ca 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3hla s VAL 261 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3hla s VAL 261 CO -0.03 0.42 -0.18 -1.10 0.00 0.00 0.00 175.10 174.21 3hla s GLN 262 N 1.02 2.97 -0.29 2.72 -0.21 -0.48 -1.59 119.66 123.81 3hla s GLN 262 Ca 0.02 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.43 3hla s GLN 262 Cb -0.14 -2.42 0.13 0.00 1.00 0.00 0.00 33.01 31.58 3hla s GLN 262 CO 0.02 0.33 1.02 -1.58 -2.12 0.00 0.00 175.29 172.95 3hla s HIS 263 N 0.02 -0.51 0.45 0.91 2.46 -1.26 -0.42 115.29 116.93 3hla s HIS 263 Ca -0.06 1.13 0.33 0.00 0.47 0.00 0.00 55.06 56.93 3hla s HIS 263 Cb -0.15 0.36 1.51 0.00 -0.13 0.00 0.00 32.58 34.18 3hla s HIS 263 CO 0.05 -0.25 1.58 1.49 -2.47 0.00 0.00 174.74 175.14 3hla h GLU 264 N 5.07 0.01 -1.75 2.88 4.81 -1.95 -0.94 114.58 122.71 3hla h GLU 264 Ca -0.28 -0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.58 3hla h GLU 264 Cb 1.19 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 3hla h GLU 264 CO 0.15 0.01 0.34 0.41 -0.73 0.00 0.00 179.01 179.19 3hla n GLY 265 N -1.54 4.07 3.63 1.92 0.00 -1.26 -4.85 105.19 107.16 3hla n GLY 265 Ca 0.40 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 3hla n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hla s LEU 266 N -1.77 -0.65 -0.11 0.99 2.96 -0.36 -4.38 118.68 115.36 3hla s LEU 266 Ca 0.43 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.58 3hla s LEU 266 Cb 0.29 2.24 0.16 0.00 0.50 0.00 0.00 46.19 49.39 3hla s LEU 266 CO -0.09 -0.21 1.25 -2.65 -1.32 0.00 0.00 176.35 173.34 3hla n PRO 267 N 2.61 1.31 -0.04 0.98 -0.02 -1.26 -4.79 135.00 133.80 3hla n PRO 267 Ca -0.14 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 3hla n PRO 267 Cb 0.56 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3hla n PRO 267 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hla n LYS 268 N 0.12 -0.03 -4.71 -0.52 0.00 -1.26 -5.11 118.16 106.66 3hla n LYS 268 Ca 0.15 0.05 -0.24 0.00 -0.00 0.00 0.00 58.31 58.26 3hla n LYS 268 Cb 0.78 -0.02 -0.15 0.00 -0.00 0.00 0.00 35.03 35.64 3hla n LYS 268 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3hla s PRO 269 N -3.94 1.33 0.00 -1.58 0.03 -0.62 -5.02 135.00 125.21 3hla s PRO 269 Ca 0.00 -0.73 0.00 0.00 0.03 0.00 0.00 61.00 60.30 3hla s PRO 269 Cb 0.00 -1.34 0.00 0.00 0.03 0.00 0.00 34.50 33.19 3hla s PRO 269 CO 0.00 0.35 0.26 1.28 0.03 0.00 0.00 177.00 178.92