#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg1 n SER 2 N 0.00 -0.96 -3.31 1.61 7.64 -1.26 -4.31 113.62 113.03 3hg1 n SER 2 Ca 0.00 0.51 -0.19 0.00 1.01 0.00 0.00 58.87 60.20 3hg1 n SER 2 Cb 0.00 -1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 61.84 3hg1 n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hg1 s HIS 3 N -2.11 1.71 0.00 1.43 4.02 -0.79 -4.97 115.29 114.59 3hg1 s HIS 3 Ca 0.65 -1.64 0.00 0.00 1.02 0.00 0.00 55.06 55.09 3hg1 s HIS 3 Cb -0.29 -0.65 0.00 0.00 -1.02 0.00 0.00 32.58 30.61 3hg1 s HIS 3 CO 0.59 -0.91 0.00 -1.13 1.02 0.00 0.00 174.74 174.31 3hg1 n SER 4 N -1.59 0.00 -3.69 1.40 3.41 -1.26 -1.86 113.62 110.04 3hg1 n SER 4 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.51 3hg1 n SER 4 Cb 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 3hg1 n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg1 s MET 5 N -2.00 0.00 0.31 4.33 0.00 -1.10 0.82 119.30 121.67 3hg1 s MET 5 Ca 0.00 0.45 0.10 0.00 0.00 0.00 0.00 55.69 56.24 3hg1 s MET 5 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 34.83 34.45 3hg1 s MET 5 CO 0.00 -0.28 -0.08 1.03 0.00 0.00 0.00 175.02 175.68 3hg1 s ARG 6 N 1.99 1.92 -0.08 3.16 1.81 -0.72 -1.79 118.95 125.23 3hg1 s ARG 6 Ca 0.01 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.27 3hg1 s ARG 6 Cb -0.12 -1.86 0.02 0.00 -0.45 0.00 0.00 34.95 32.55 3hg1 s ARG 6 CO -0.05 0.23 -0.07 0.71 -0.68 0.00 0.00 175.30 175.44 3hg1 s TYR 7 N -2.51 1.21 -0.14 -0.53 1.51 0.95 -1.69 117.35 116.15 3hg1 s TYR 7 Ca 0.32 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3hg1 s TYR 7 Cb -0.02 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3hg1 s TYR 7 CO 0.17 -0.36 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.13 3hg1 s PHE 8 N 1.33 2.97 -0.08 2.71 0.40 -0.59 -2.02 117.98 122.69 3hg1 s PHE 8 Ca -0.03 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 3hg1 s PHE 8 Cb -0.14 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.50 3hg1 s PHE 8 CO -0.03 -0.05 -0.12 -0.06 0.70 0.00 0.00 175.22 175.66 3hg1 s PHE 9 N 0.27 1.56 -0.05 0.36 0.40 0.12 -1.30 117.98 119.33 3hg1 s PHE 9 Ca -0.05 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3hg1 s PHE 9 Cb -0.14 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.24 3hg1 s PHE 9 CO 0.04 -0.34 -0.10 0.99 0.70 0.00 0.00 175.22 176.50 3hg1 s THR 10 N 0.84 0.96 -0.08 0.64 2.01 -0.75 -0.64 115.64 118.61 3hg1 s THR 10 Ca -0.11 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3hg1 s THR 10 Cb -0.15 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.49 3hg1 s THR 10 CO 0.02 0.31 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.77 3hg1 s SER 11 N 0.60 1.73 -0.17 3.53 0.01 0.14 -1.62 113.70 117.92 3hg1 s SER 11 Ca -0.12 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 56.96 3hg1 s SER 11 Cb -0.14 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.47 3hg1 s SER 11 CO 0.02 -0.12 -0.18 -0.69 0.41 0.00 0.00 173.24 172.68 3hg1 s VAL 12 N 1.58 2.32 0.36 3.43 1.01 -0.56 -1.26 120.40 127.29 3hg1 s VAL 12 Ca 0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 3hg1 s VAL 12 Cb -0.13 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3hg1 s VAL 12 CO -0.05 0.53 1.19 -0.94 0.00 0.00 0.00 175.10 175.83 3hg1 s SER 13 N 1.08 6.71 -0.50 3.32 1.04 -0.98 -0.64 113.70 123.72 3hg1 s SER 13 Ca -0.00 2.41 0.08 0.00 0.48 0.00 0.00 55.95 58.91 3hg1 s SER 13 Cb -0.14 -2.62 0.34 0.00 0.10 0.00 0.00 66.02 63.69 3hg1 s SER 13 CO -0.06 -0.55 0.85 0.54 0.98 0.00 0.00 173.24 175.00 3hg1 n ARG 14 N 0.43 2.32 -1.58 4.02 1.74 -1.26 -4.30 116.66 118.02 3hg1 n ARG 14 Ca 0.02 -4.27 -0.60 0.00 -0.77 0.00 0.00 57.85 52.24 3hg1 n ARG 14 Cb 0.45 -2.02 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 3hg1 n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hg1 n PRO 15 N 0.02 0.28 0.00 5.56 -0.02 -1.26 -0.57 135.00 139.01 3hg1 n PRO 15 Ca 0.29 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3hg1 n PRO 15 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3hg1 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hg1 n GLY 16 N 2.39 1.69 2.97 -1.23 0.00 -1.26 -4.99 105.19 104.75 3hg1 n GLY 16 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3hg1 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hg1 s ARG 17 N -0.93 0.82 0.15 1.61 1.70 0.26 -5.16 118.95 117.42 3hg1 s ARG 17 Ca 0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 3hg1 s ARG 17 Cb 0.00 -0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.15 3hg1 s ARG 17 CO 0.00 -1.23 0.00 0.41 -1.08 0.00 0.00 175.30 173.40 3hg1 n GLY 18 N 4.02 -2.14 3.70 3.88 0.00 -1.26 -4.78 105.19 108.61 3hg1 n GLY 18 Ca 0.13 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3hg1 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hg1 s GLU 19 N -2.35 1.42 1.00 1.61 0.41 -1.26 -4.44 118.70 115.09 3hg1 s GLU 19 Ca 0.00 1.53 -0.13 0.00 -0.41 0.00 0.00 54.97 55.95 3hg1 s GLU 19 Cb 0.00 -1.77 0.09 0.00 -1.78 0.00 0.00 34.13 30.67 3hg1 s GLU 19 CO 0.00 -2.33 0.50 -2.30 -0.49 0.00 0.00 175.26 170.65 3hg1 n PRO 20 N -3.84 -0.79 -3.37 0.39 -0.02 -1.26 -4.71 135.00 121.40 3hg1 n PRO 20 Ca 0.12 -0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 3hg1 n PRO 20 Cb 0.52 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 3hg1 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hg1 s ARG 21 N -3.84 4.17 -0.18 -0.52 3.52 0.18 -4.86 118.95 117.42 3hg1 s ARG 21 Ca 0.59 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 3hg1 s ARG 21 Cb -0.20 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3hg1 s ARG 21 CO 0.65 0.42 -0.17 0.12 -0.81 0.00 0.00 175.30 175.51 3hg1 s PHE 22 N -0.24 2.70 -0.17 5.12 5.36 -1.26 -1.50 117.98 127.99 3hg1 s PHE 22 Ca 0.26 -1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 54.57 3hg1 s PHE 22 Cb -0.16 -1.84 0.04 0.00 -0.34 0.00 0.00 43.02 40.72 3hg1 s PHE 22 CO 0.13 -0.79 -0.04 0.42 -1.46 0.00 0.00 175.22 173.48 3hg1 s ILE 23 N 1.31 1.04 0.02 3.12 1.01 -0.64 -0.66 121.20 126.40 3hg1 s ILE 23 Ca 0.03 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.11 3hg1 s ILE 23 Cb -0.14 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3hg1 s ILE 23 CO -0.11 0.07 -0.21 0.00 0.00 0.00 0.00 174.94 174.69 3hg1 s ALA 24 N 1.66 2.45 -0.01 9.38 0.00 -0.39 -1.82 121.76 133.03 3hg1 s ALA 24 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3hg1 s ALA 24 Cb -0.16 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 3hg1 s ALA 24 CO -0.07 0.55 0.03 0.54 0.00 0.00 0.00 175.76 176.81 3hg1 s VAL 25 N -0.82 0.03 -0.07 0.00 0.11 -0.42 -0.86 120.40 118.38 3hg1 s VAL 25 Ca 0.13 -0.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3hg1 s VAL 25 Cb -0.10 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 3hg1 s VAL 25 CO 0.03 -0.13 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.66 3hg1 s GLY 26 N -0.39 1.45 0.16 6.54 0.00 -0.35 -1.54 107.32 113.19 3hg1 s GLY 26 Ca -0.04 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.76 3hg1 s GLY 26 CO -0.00 -0.61 -0.15 -0.19 0.00 0.00 0.00 173.10 172.15 3hg1 s TYR 27 N -0.32 1.60 -0.21 1.90 1.51 -0.68 -0.78 117.35 120.37 3hg1 s TYR 27 Ca 0.02 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 3hg1 s TYR 27 Cb -0.13 -0.79 0.06 0.00 -0.11 0.00 0.00 41.96 41.00 3hg1 s TYR 27 CO 0.02 0.26 0.01 0.08 -1.11 0.00 0.00 175.55 174.81 3hg1 s VAL 28 N -2.53 0.90 0.00 0.71 1.01 0.45 -1.76 120.40 119.18 3hg1 s VAL 28 Ca 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3hg1 s VAL 28 Cb -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3hg1 s VAL 28 CO 0.05 -0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.43 3hg1 n ASP 29 N 4.91 0.00 -2.17 3.32 8.00 0.24 -1.71 116.55 129.13 3hg1 n ASP 29 Ca -0.10 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.11 3hg1 n ASP 29 Cb 0.46 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.65 3hg1 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hg1 n ASP 30 N 6.82 6.29 -3.80 -2.24 8.00 -1.26 -4.92 116.55 125.44 3hg1 n ASP 30 Ca 0.00 -3.76 -0.21 0.00 0.71 0.00 0.00 54.79 51.53 3hg1 n ASP 30 Cb 0.00 -0.82 -0.17 0.00 -0.02 0.00 0.00 41.12 40.11 3hg1 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hg1 s THR 31 N -4.47 0.33 0.22 -3.53 2.01 -0.70 -4.98 115.64 104.53 3hg1 s THR 31 Ca 0.60 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 3hg1 s THR 31 Cb 0.48 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 72.45 3hg1 s THR 31 CO 0.02 0.22 1.00 -1.58 -0.69 0.00 0.00 174.62 173.59 3hg1 s GLN 32 N 1.59 4.76 0.00 4.92 0.74 -1.26 -0.41 119.66 129.99 3hg1 s GLN 32 Ca -0.01 1.58 0.00 0.00 0.05 0.00 0.00 55.36 56.98 3hg1 s GLN 32 Cb -0.13 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.71 3hg1 s GLN 32 CO -0.03 0.35 0.11 1.97 -0.55 0.00 0.00 175.29 177.14 3hg1 n PHE 33 N 1.72 0.00 -3.44 1.67 -1.74 0.04 -4.26 117.46 111.45 3hg1 n PHE 33 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.76 3hg1 n PHE 33 Cb 0.47 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.44 3hg1 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3hg1 s VAL 34 N -0.22 0.00 0.20 1.97 -7.23 -1.21 -2.15 120.40 111.76 3hg1 s VAL 34 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.95 3hg1 s VAL 34 Cb 0.00 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.99 3hg1 s VAL 34 CO 0.00 0.00 0.68 0.00 -0.31 0.00 0.00 175.10 175.47 3hg1 s ARG 35 N -3.35 1.47 -0.22 4.82 1.70 0.18 -1.21 118.95 122.33 3hg1 s ARG 35 Ca -0.00 -0.69 -0.19 0.00 -0.47 0.00 0.00 55.73 54.39 3hg1 s ARG 35 Cb -0.01 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 35.01 3hg1 s ARG 35 CO -0.10 -0.66 0.58 0.12 -1.08 0.00 0.00 175.30 174.16 3hg1 s PHE 36 N -3.78 -0.68 -0.27 5.89 5.36 -0.04 -0.51 117.98 123.95 3hg1 s PHE 36 Ca 0.06 1.60 -0.02 0.00 -0.96 0.00 0.00 56.93 57.60 3hg1 s PHE 36 Cb -0.03 0.27 0.11 0.00 -0.34 0.00 0.00 43.02 43.03 3hg1 s PHE 36 CO -0.04 -0.33 0.22 0.34 -1.46 0.00 0.00 175.22 173.94 3hg1 s ASP 37 N 0.55 2.30 0.47 6.13 -1.08 -1.25 -1.26 116.67 122.53 3hg1 s ASP 37 Ca -0.02 -0.84 0.11 0.00 -0.52 0.00 0.00 52.55 51.28 3hg1 s ASP 37 Cb -0.05 0.15 0.59 0.00 -1.46 0.00 0.00 42.92 42.16 3hg1 s ASP 37 CO -0.03 -0.39 1.24 0.77 0.52 0.00 0.00 175.17 177.28 3hg1 h SER 38 N 8.33 0.00 -0.14 -0.34 4.64 -1.28 1.36 113.55 126.12 3hg1 h SER 38 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hg1 h SER 38 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hg1 h SER 38 CO 0.36 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.79 3hg1 n ASP 39 N -2.26 1.57 -4.94 4.97 9.92 -1.26 -4.86 116.55 119.69 3hg1 n ASP 39 Ca -0.01 -1.66 -0.25 0.00 -0.53 0.00 0.00 54.79 52.35 3hg1 n ASP 39 Cb 0.58 -0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.96 3hg1 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hg1 s ALA 40 N -1.83 3.70 0.02 2.24 0.00 0.47 -5.01 121.76 121.35 3hg1 s ALA 40 Ca 0.33 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 3hg1 s ALA 40 Cb 0.18 -2.11 -0.24 0.00 0.00 0.00 0.00 23.12 20.95 3hg1 s ALA 40 CO 0.27 0.04 1.11 0.00 0.00 0.00 0.00 175.76 177.19 3hg1 h ALA 41 N 0.95 0.08 -0.70 0.00 0.00 -1.89 -3.33 119.26 114.37 3hg1 h ALA 41 Ca -0.49 -0.62 0.09 0.00 0.00 0.00 0.00 54.91 53.89 3hg1 h ALA 41 Cb 1.21 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3hg1 h ALA 41 CO 0.62 0.45 -0.32 0.45 0.00 0.00 0.00 179.25 180.46 3hg1 n SER 42 N -4.10 -0.55 -3.63 0.00 2.88 -1.26 -4.80 113.62 102.17 3hg1 n SER 42 Ca -0.11 1.22 -0.24 0.00 -1.33 0.00 0.00 58.87 58.42 3hg1 n SER 42 Cb 0.75 -0.24 0.07 0.00 -0.75 0.00 0.00 64.21 64.04 3hg1 n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hg1 n GLN 43 N -4.97 -7.18 -3.84 -1.46 1.13 -1.25 -4.99 117.38 94.82 3hg1 n GLN 43 Ca 0.05 0.78 -0.11 0.00 -1.94 0.00 0.00 57.00 55.78 3hg1 n GLN 43 Cb 0.25 -5.78 -0.09 0.00 0.11 0.00 0.00 30.24 24.72 3hg1 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hg1 s ARG 44 N -6.18 0.59 -0.10 -1.09 1.81 -1.26 -5.07 118.95 107.65 3hg1 s ARG 44 Ca 0.46 -0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 53.75 3hg1 s ARG 44 Cb -0.21 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 3hg1 s ARG 44 CO 0.75 -0.16 1.37 1.41 -0.68 0.00 0.00 175.30 178.00 3hg1 s MET 45 N -1.74 4.24 0.18 3.54 -2.45 -1.26 -4.72 119.30 117.08 3hg1 s MET 45 Ca -0.11 1.83 0.06 0.00 -1.25 0.00 0.00 55.69 56.22 3hg1 s MET 45 Cb -0.05 -3.77 -0.04 0.00 1.25 0.00 0.00 34.83 32.22 3hg1 s MET 45 CO 0.01 -0.70 0.12 -1.21 1.05 0.00 0.00 175.02 174.28 3hg1 s GLU 46 N 3.36 2.80 0.62 4.11 2.02 0.33 -4.90 118.70 127.03 3hg1 s GLU 46 Ca 0.61 -0.96 -0.10 0.00 0.02 0.00 0.00 54.97 54.54 3hg1 s GLU 46 Cb -0.26 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3hg1 s GLU 46 CO 0.21 0.46 1.01 -1.25 0.02 0.00 0.00 175.26 175.71 3hg1 s PRO 47 N -3.20 3.50 0.00 0.39 0.04 -1.26 -0.64 135.00 133.82 3hg1 s PRO 47 Ca 0.31 0.65 0.02 0.00 0.04 0.00 0.00 61.00 62.02 3hg1 s PRO 47 Cb -0.09 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3hg1 s PRO 47 CO 0.23 -0.59 0.84 0.54 0.04 0.00 0.00 177.00 178.06 3hg1 n ARG 48 N -2.73 0.00 -3.53 4.56 5.12 -0.91 -4.75 116.66 114.41 3hg1 n ARG 48 Ca 0.06 -0.72 -0.17 0.00 -1.93 0.00 0.00 57.85 55.09 3hg1 n ARG 48 Cb 0.55 -0.26 -0.06 0.00 -1.16 0.00 0.00 32.46 31.53 3hg1 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hg1 s ALA 49 N 0.00 -1.80 0.00 7.54 0.00 -1.26 -4.52 121.76 121.73 3hg1 s ALA 49 Ca 0.02 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3hg1 s ALA 49 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3hg1 s ALA 49 CO -0.01 -0.36 0.96 -0.35 0.00 0.00 0.00 175.76 176.00 3hg1 n PRO 50 N 0.89 0.00 -0.33 0.00 -0.04 -1.26 -3.23 135.00 131.03 3hg1 n PRO 50 Ca -0.17 0.63 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 3hg1 n PRO 50 Cb 0.57 -1.46 0.16 0.00 -0.04 0.00 0.00 33.50 32.73 3hg1 n PRO 50 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3hg1 h TRP 51 N 0.00 -0.37 -0.19 0.54 5.08 -1.99 0.16 115.95 119.19 3hg1 h TRP 51 Ca 0.00 0.08 0.05 0.00 1.08 0.00 0.00 58.89 60.10 3hg1 h TRP 51 Cb 0.00 0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 3hg1 h TRP 51 CO -0.15 -0.40 0.18 0.97 -1.28 0.00 0.00 178.44 177.76 3hg1 h ILE 52 N 0.01 0.61 -0.32 0.12 6.09 -1.89 -1.74 117.51 120.38 3hg1 h ILE 52 Ca 0.48 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.91 3hg1 h ILE 52 Cb 0.80 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 38.94 3hg1 h ILE 52 CO -0.93 0.00 -0.04 -0.33 -3.07 0.00 0.00 178.15 173.78 3hg1 h GLU 53 N 0.00 0.51 -0.76 2.19 5.08 -0.65 -2.53 114.58 118.43 3hg1 h GLU 53 Ca 0.09 -0.12 0.22 0.00 -1.00 0.00 0.00 59.36 58.55 3hg1 h GLU 53 Cb 0.44 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hg1 h GLU 53 CO -0.00 0.57 0.62 0.37 -1.00 0.00 0.00 179.01 179.57 3hg1 h GLN 54 N 0.49 0.00 -6.59 2.33 4.15 -1.40 -3.43 115.11 110.66 3hg1 h GLN 54 Ca 0.10 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.94 3hg1 h GLN 54 Cb 0.38 0.00 0.15 0.00 0.21 0.00 0.00 27.48 28.22 3hg1 h GLN 54 CO 0.02 0.00 -0.07 0.39 -1.93 0.00 0.00 178.83 177.24 3hg1 n GLU 55 N -4.03 0.94 -1.82 1.69 -0.58 -0.96 -4.96 120.64 110.91 3hg1 n GLU 55 Ca 0.15 0.35 -0.30 0.00 -0.42 0.00 0.00 57.16 56.94 3hg1 n GLU 55 Cb 0.89 -1.89 0.06 0.00 -0.57 0.00 0.00 31.44 29.93 3hg1 n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3hg1 s GLY 56 N -0.97 1.62 0.39 0.62 0.00 -1.26 -4.93 107.32 102.79 3hg1 s GLY 56 Ca 0.67 -0.37 0.12 0.00 0.00 0.00 0.00 44.72 45.13 3hg1 s GLY 56 CO 0.55 0.03 1.92 -0.56 0.00 0.00 0.00 173.10 175.04 3hg1 h PRO 57 N -0.81 0.55 -0.56 2.90 0.13 -1.96 0.59 132.00 132.84 3hg1 h PRO 57 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3hg1 h PRO 57 Cb 1.27 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3hg1 h PRO 57 CO 0.63 0.36 0.32 0.93 -0.23 0.00 0.00 178.00 180.01 3hg1 h GLU 58 N 0.56 0.75 0.11 0.86 3.07 -1.99 -1.81 114.58 116.14 3hg1 h GLU 58 Ca 0.37 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3hg1 h GLU 58 Cb 0.65 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3hg1 h GLU 58 CO -0.13 0.54 -0.13 -0.92 -1.40 0.00 0.00 179.01 176.96 3hg1 h TYR 59 N 0.77 -0.37 -0.32 4.33 3.20 -1.24 0.21 116.97 123.55 3hg1 h TYR 59 Ca 0.20 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3hg1 h TYR 59 Cb -0.01 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 3hg1 h TYR 59 CO 0.00 -0.17 -0.10 -1.49 -1.64 0.00 0.00 178.16 174.77 3hg1 h TRP 60 N -0.25 -0.21 -1.01 -3.82 4.06 -1.48 0.96 115.95 114.20 3hg1 h TRP 60 Ca -0.01 0.03 0.17 0.00 2.06 0.00 0.00 58.89 61.14 3hg1 h TRP 60 Cb 0.22 0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 28.42 3hg1 h TRP 60 CO -0.16 -0.16 0.62 -0.44 -3.56 0.00 0.00 178.44 174.74 3hg1 h ASP 61 N -0.02 0.83 0.03 -3.49 3.32 -1.31 1.32 116.42 117.09 3hg1 h ASP 61 Ca 0.16 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hg1 h ASP 61 Cb 0.26 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hg1 h ASP 61 CO -0.34 0.34 -0.02 1.23 -1.72 0.00 0.00 179.24 178.73 3hg1 h GLY 62 N 0.83 -0.05 1.42 2.75 0.00 0.14 -1.92 103.07 106.24 3hg1 h GLY 62 Ca 0.56 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 3hg1 h GLY 62 CO -0.35 -0.02 0.12 0.83 0.00 0.00 0.00 176.54 177.12 3hg1 h GLU 63 N -0.64 0.73 -0.06 4.80 4.39 0.16 -1.64 114.58 122.31 3hg1 h GLU 63 Ca -0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3hg1 h GLU 63 Cb 0.58 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hg1 h GLU 63 CO 0.01 0.67 0.01 1.15 -1.16 0.00 0.00 179.01 179.68 3hg1 h THR 64 N 0.71 1.23 -0.44 1.13 2.02 0.17 -1.40 112.91 116.32 3hg1 h THR 64 Ca 0.16 -0.69 0.08 0.00 0.77 0.00 0.00 66.41 66.73 3hg1 h THR 64 Cb 0.27 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 3hg1 h THR 64 CO -0.00 0.19 0.01 0.03 0.37 0.00 0.00 175.52 176.12 3hg1 h ARG 65 N -0.16 0.12 0.40 6.66 3.08 -1.04 -1.56 114.38 121.87 3hg1 h ARG 65 Ca 0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hg1 h ARG 65 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hg1 h ARG 65 CO 0.00 0.08 -0.40 0.87 -1.07 0.00 0.00 179.97 179.45 3hg1 h LYS 66 N 0.12 -0.77 -0.77 0.04 1.57 -1.16 -1.71 116.57 113.90 3hg1 h LYS 66 Ca 0.22 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.20 3hg1 h LYS 66 Cb 0.32 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.70 3hg1 h LYS 66 CO -0.36 -0.51 0.29 -0.24 -0.57 0.00 0.00 179.45 178.07 3hg1 h VAL 67 N -0.80 0.62 -0.39 0.50 3.04 -1.07 0.83 116.25 118.99 3hg1 h VAL 67 Ca -0.05 -0.14 0.02 0.00 -1.01 0.00 0.00 66.70 65.51 3hg1 h VAL 67 Cb 0.69 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.12 3hg1 h VAL 67 CO -0.05 0.08 0.26 0.11 -1.01 0.00 0.00 177.57 176.95 3hg1 h LYS 68 N 0.42 0.46 -0.20 4.17 1.57 -1.11 0.16 116.57 122.04 3hg1 h LYS 68 Ca 0.43 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3hg1 h LYS 68 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3hg1 h LYS 68 CO -0.43 0.30 -0.08 0.00 -0.57 0.00 0.00 179.45 178.67 3hg1 h ALA 69 N 1.77 0.28 -0.60 3.86 0.00 0.15 -0.66 119.26 124.06 3hg1 h ALA 69 Ca 0.15 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hg1 h ALA 69 Cb 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3hg1 h ALA 69 CO -0.03 0.09 0.22 0.45 0.00 0.00 0.00 179.25 179.97 3hg1 h HIS 70 N 0.11 0.38 -0.83 0.00 3.86 0.50 -1.05 115.15 118.11 3hg1 h HIS 70 Ca 0.05 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3hg1 h HIS 70 Cb 0.55 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 3hg1 h HIS 70 CO 0.06 0.09 0.54 1.03 0.86 0.00 0.00 177.93 180.51 3hg1 h SER 71 N 0.39 0.92 -0.14 2.45 0.87 -0.44 -1.77 113.55 115.82 3hg1 h SER 71 Ca 0.30 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3hg1 h SER 71 Cb 0.38 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3hg1 h SER 71 CO -0.31 0.65 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.72 3hg1 h GLN 72 N 1.08 0.63 -0.35 2.24 5.75 0.08 -1.87 115.11 122.67 3hg1 h GLN 72 Ca 0.32 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3hg1 h GLN 72 Cb -0.06 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3hg1 h GLN 72 CO -0.09 0.86 0.10 1.79 -2.65 0.00 0.00 178.83 178.83 3hg1 h THR 73 N 0.54 1.21 -0.42 2.39 1.35 -0.82 -2.32 112.91 114.84 3hg1 h THR 73 Ca 0.06 -0.71 0.04 0.00 -0.55 0.00 0.00 66.41 65.25 3hg1 h THR 73 Cb 0.79 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 3hg1 h THR 73 CO 0.06 0.24 0.20 0.45 -0.25 0.00 0.00 175.52 176.23 3hg1 h HIS 74 N 0.41 0.36 0.13 4.73 3.86 -1.06 -1.03 115.15 122.55 3hg1 h HIS 74 Ca 0.11 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3hg1 h HIS 74 Cb 0.27 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3hg1 h HIS 74 CO 0.01 0.18 -0.43 0.00 0.86 0.00 0.00 177.93 178.55 3hg1 h ARG 75 N 0.40 -0.65 -0.61 2.45 3.08 -1.17 0.23 114.38 118.11 3hg1 h ARG 75 Ca 0.18 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.40 3hg1 h ARG 75 Cb 0.10 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 3hg1 h ARG 75 CO -0.14 -0.43 -0.02 0.28 -1.07 0.00 0.00 179.97 178.59 3hg1 h VAL 76 N -0.68 0.48 0.05 2.04 2.07 -1.16 -2.49 116.25 116.57 3hg1 h VAL 76 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hg1 h VAL 76 Cb 0.70 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hg1 h VAL 76 CO -0.24 0.02 -0.15 0.44 0.02 0.00 0.00 177.57 177.66 3hg1 h ASP 77 N 0.10 -0.44 -0.64 0.57 3.32 -0.31 -1.73 116.42 117.29 3hg1 h ASP 77 Ca 0.32 0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.64 3hg1 h ASP 77 Cb 0.51 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 3hg1 h ASP 77 CO -0.54 -0.16 0.40 0.18 -1.72 0.00 0.00 179.24 177.40 3hg1 n LEU 78 N -3.27 0.12 0.09 1.55 4.77 -0.01 0.39 117.00 120.63 3hg1 n LEU 78 Ca -0.03 0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 56.56 3hg1 n LEU 78 Cb 0.12 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 3hg1 n LEU 78 CO 0.05 -0.77 0.35 1.23 -1.33 0.00 0.00 177.39 176.92 3hg1 h GLY 79 N 0.00 -0.32 -0.10 -0.72 0.00 -1.25 -3.16 103.07 97.51 3hg1 h GLY 79 Ca 0.43 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.98 3hg1 h GLY 79 CO -0.26 -0.12 -0.20 -0.84 0.00 0.00 0.00 176.54 175.13 3hg1 h THR 80 N -0.93 0.39 -0.37 4.70 2.02 0.79 -2.49 112.91 117.01 3hg1 h THR 80 Ca -0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 3hg1 h THR 80 Cb 0.49 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3hg1 h THR 80 CO 0.05 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.95 3hg1 h LEU 81 N -0.09 0.03 -0.69 2.58 4.07 -1.22 0.11 115.31 120.10 3hg1 h LEU 81 Ca 0.23 0.06 0.15 0.00 0.08 0.00 0.00 57.88 58.40 3hg1 h LEU 81 Cb 0.44 0.08 -0.11 0.00 1.08 0.00 0.00 40.66 42.15 3hg1 h LEU 81 CO -0.55 0.05 0.07 0.03 -1.08 0.00 0.00 178.44 176.97 3hg1 h ARG 82 N 0.21 0.17 0.34 1.13 3.08 -1.42 0.15 114.38 118.04 3hg1 h ARG 82 Ca 0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hg1 h ARG 82 Cb 0.20 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3hg1 h ARG 82 CO -0.23 0.11 -0.50 0.78 -1.07 0.00 0.00 179.97 179.06 3hg1 h GLY 83 N 0.17 -1.18 0.81 0.04 0.00 -0.54 -0.98 103.07 101.40 3hg1 h GLY 83 Ca 0.38 0.60 0.12 0.00 0.00 0.00 0.00 47.33 48.43 3hg1 h GLY 83 CO -0.55 -0.33 0.48 -0.97 0.00 0.00 0.00 176.54 175.18 3hg1 h TYR 84 N -0.89 0.58 -0.85 5.60 0.05 0.26 -2.04 116.97 119.67 3hg1 h TYR 84 Ca -0.04 0.02 -0.48 0.00 0.05 0.00 0.00 58.73 58.28 3hg1 h TYR 84 Cb 0.82 -0.18 -0.27 0.00 1.01 0.00 0.00 36.73 38.11 3hg1 h TYR 84 CO -0.33 0.25 0.48 0.66 -1.05 0.00 0.00 178.16 178.17 3hg1 n TYR 85 N -4.49 2.68 -2.24 4.88 4.01 0.41 -4.98 117.16 117.44 3hg1 n TYR 85 Ca 0.13 -2.07 -0.06 0.00 -0.16 0.00 0.00 57.90 55.74 3hg1 n TYR 85 Cb 0.43 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 3hg1 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hg1 n ASN 86 N -1.08 -0.99 -4.07 7.72 5.03 -0.45 -4.91 115.26 116.51 3hg1 n ASN 86 Ca 0.54 -0.13 -0.20 0.00 0.87 0.00 0.00 54.58 55.66 3hg1 n ASN 86 Cb 1.30 -0.31 -0.15 0.00 -1.02 0.00 0.00 39.78 39.60 3hg1 n ASN 86 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hg1 s GLN 87 N -1.72 0.94 0.89 3.52 -2.07 -0.74 -5.04 119.66 115.43 3hg1 s GLN 87 Ca 0.03 -0.43 -0.11 0.00 -1.82 0.00 0.00 55.36 53.03 3hg1 s GLN 87 Cb -0.00 -0.91 0.13 0.00 -1.09 0.00 0.00 33.01 31.14 3hg1 s GLN 87 CO 0.18 0.25 1.15 -1.54 -1.32 0.00 0.00 175.29 174.01 3hg1 s SER 88 N -0.32 3.12 0.13 12.60 1.04 -1.26 -4.72 113.70 124.28 3hg1 s SER 88 Ca 0.04 2.20 0.21 0.00 0.48 0.00 0.00 55.95 58.88 3hg1 s SER 88 Cb -0.05 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.37 3hg1 s SER 88 CO -0.00 -2.97 1.66 -0.62 0.98 0.00 0.00 173.24 172.28 3hg1 n GLU 89 N -4.05 0.11 0.18 4.02 4.71 -1.26 -3.84 120.64 120.52 3hg1 n GLU 89 Ca 0.12 0.29 -0.10 0.00 -0.01 0.00 0.00 57.16 57.46 3hg1 n GLU 89 Cb 0.52 -1.69 -0.05 0.00 -1.01 0.00 0.00 31.44 29.20 3hg1 n GLU 89 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hg1 h ALA 90 N 2.46 -0.53 -1.85 0.62 0.00 -1.97 -3.44 119.26 114.56 3hg1 h ALA 90 Ca 0.00 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 54.25 3hg1 h ALA 90 Cb 0.39 0.20 0.23 0.00 0.00 0.00 0.00 17.79 18.61 3hg1 h ALA 90 CO 0.00 -0.53 -1.11 0.41 0.00 0.00 0.00 179.25 178.03 3hg1 n GLY 91 N 0.22 -2.56 3.58 0.00 0.00 -1.25 -4.59 105.19 100.59 3hg1 n GLY 91 Ca -0.08 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3hg1 n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hg1 s SER 92 N -1.76 4.72 0.28 1.61 0.15 -1.26 -4.63 113.70 112.82 3hg1 s SER 92 Ca 0.53 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 57.19 3hg1 s SER 92 Cb -0.14 -1.28 -0.06 0.00 -1.71 0.00 0.00 66.02 62.84 3hg1 s SER 92 CO 0.68 0.34 0.06 -1.00 1.20 0.00 0.00 173.24 174.53 3hg1 s HIS 93 N -0.68 1.73 -0.02 3.44 3.76 -1.26 -4.97 115.29 117.29 3hg1 s HIS 93 Ca 0.10 -1.04 0.02 0.00 -0.15 0.00 0.00 55.06 53.99 3hg1 s HIS 93 Cb -0.11 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.51 3hg1 s HIS 93 CO 0.02 -0.14 -0.08 0.99 -0.85 0.00 0.00 174.74 174.68 3hg1 s THR 94 N -3.50 0.65 -0.09 1.30 2.01 -1.26 -2.33 115.64 112.43 3hg1 s THR 94 Ca 0.36 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.08 3hg1 s THR 94 Cb 0.08 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 72.01 3hg1 s THR 94 CO 0.14 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 3hg1 s VAL 95 N 0.08 1.86 0.04 3.82 1.01 -0.39 -0.66 120.40 126.17 3hg1 s VAL 95 Ca -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3hg1 s VAL 95 Cb -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3hg1 s VAL 95 CO 0.00 0.52 -0.17 -1.10 0.00 0.00 0.00 175.10 174.35 3hg1 s GLN 96 N 0.34 1.12 -0.05 2.72 -0.21 0.03 -0.69 119.66 122.92 3hg1 s GLN 96 Ca -0.16 -0.83 -0.04 0.00 0.02 0.00 0.00 55.36 54.34 3hg1 s GLN 96 Cb -0.17 -1.17 0.02 0.00 1.00 0.00 0.00 33.01 32.69 3hg1 s GLN 96 CO 0.07 0.29 0.13 0.50 -2.12 0.00 0.00 175.29 174.17 3hg1 s ARG 97 N -1.16 0.14 -0.11 2.91 3.52 0.18 -0.56 118.95 123.88 3hg1 s ARG 97 Ca 0.04 0.22 -0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3hg1 s ARG 97 Cb -0.08 0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.38 3hg1 s ARG 97 CO 0.01 -0.05 0.24 1.41 -0.81 0.00 0.00 175.30 176.10 3hg1 s MET 98 N 0.29 0.18 0.02 5.12 1.75 0.06 0.12 119.30 126.84 3hg1 s MET 98 Ca -0.02 0.56 -0.07 0.00 -1.25 0.00 0.00 55.69 54.91 3hg1 s MET 98 Cb -0.03 -0.12 -0.00 0.00 2.84 0.00 0.00 34.83 37.52 3hg1 s MET 98 CO -0.01 -0.19 0.13 1.52 -0.65 0.00 0.00 175.02 175.81 3hg1 s TYR 99 N 1.52 0.11 0.04 4.11 -0.85 -0.86 0.07 117.35 121.49 3hg1 s TYR 99 Ca -0.07 -0.31 -0.19 0.00 -0.52 0.00 0.00 57.07 55.98 3hg1 s TYR 99 Cb -0.11 -0.08 0.06 0.00 0.38 0.00 0.00 41.96 42.21 3hg1 s TYR 99 CO -0.08 -0.34 0.89 0.41 -1.52 0.00 0.00 175.55 174.91 3hg1 n GLY 100 N 1.07 0.49 3.41 5.49 0.00 -0.91 -0.03 105.19 114.70 3hg1 n GLY 100 Ca -0.21 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3hg1 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg1 s ASP 102 N -1.49 2.37 0.12 0.00 1.01 -1.03 -2.72 116.67 114.92 3hg1 s ASP 102 Ca 0.14 -0.41 0.05 0.00 0.71 0.00 0.00 52.55 53.03 3hg1 s ASP 102 Cb -0.10 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 3hg1 s ASP 102 CO 0.04 0.11 -0.12 0.68 0.21 0.00 0.00 175.17 176.09 3hg1 s VAL 103 N 0.40 1.17 0.82 -1.27 -7.23 -0.78 -1.38 120.40 112.14 3hg1 s VAL 103 Ca -0.14 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3hg1 s VAL 103 Cb -0.16 -1.54 0.18 0.00 0.56 0.00 0.00 36.38 35.42 3hg1 s VAL 103 CO 0.05 -0.53 1.12 0.61 -0.31 0.00 0.00 175.10 176.05 3hg1 n GLY 104 N 0.39 -0.17 0.35 2.32 0.00 -0.06 -1.89 105.19 106.13 3hg1 n GLY 104 Ca -0.15 -1.91 0.18 0.00 0.00 0.00 0.00 46.02 44.14 3hg1 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hg1 h SER 105 N -1.03 0.00 -0.49 1.61 0.02 -1.91 1.15 113.55 112.90 3hg1 h SER 105 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3hg1 h SER 105 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3hg1 h SER 105 CO 0.34 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.13 3hg1 n ASP 106 N -3.22 4.03 -1.28 3.07 5.75 -1.26 -4.66 116.55 118.99 3hg1 n ASP 106 Ca 0.00 -2.44 -0.14 0.00 -0.01 0.00 0.00 54.79 52.20 3hg1 n ASP 106 Cb 0.38 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.87 3hg1 n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3hg1 n TRP 107 N 0.74 -0.20 -2.84 2.11 7.02 0.40 -4.93 117.44 119.74 3hg1 n TRP 107 Ca 0.20 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.45 3hg1 n TRP 107 Cb 0.79 -2.76 0.02 0.00 -2.42 0.00 0.00 31.31 26.94 3hg1 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3hg1 s ARG 108 N -3.13 3.05 0.30 -0.99 0.52 -1.25 -4.74 118.95 112.70 3hg1 s ARG 108 Ca 0.00 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.57 3hg1 s ARG 108 Cb 0.00 -2.49 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 3hg1 s ARG 108 CO 0.00 -0.37 1.32 0.12 0.02 0.00 0.00 175.30 176.39 3hg1 s PHE 109 N -2.66 3.10 0.05 -0.53 5.36 -1.26 -0.88 117.98 121.16 3hg1 s PHE 109 Ca 0.50 1.34 -0.01 0.00 -0.96 0.00 0.00 56.93 57.80 3hg1 s PHE 109 Cb -0.10 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 38.90 3hg1 s PHE 109 CO 0.40 -1.92 -0.02 1.28 -1.46 0.00 0.00 175.22 173.50 3hg1 n LEU 110 N 1.31 0.82 -3.57 6.12 4.77 -0.48 -4.75 117.00 121.22 3hg1 n LEU 110 Ca 0.02 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3hg1 n LEU 110 Cb 0.42 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3hg1 n LEU 110 CO 0.59 -0.49 0.35 0.00 -1.33 0.00 0.00 177.39 176.51 3hg1 s ARG 111 N -2.04 1.33 0.17 3.23 1.70 -1.21 -5.03 118.95 117.09 3hg1 s ARG 111 Ca -0.02 -0.65 0.06 0.00 -0.47 0.00 0.00 55.73 54.65 3hg1 s ARG 111 Cb 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 3hg1 s ARG 111 CO 0.02 -0.57 -0.13 0.20 -1.08 0.00 0.00 175.30 173.74 3hg1 s GLY 112 N -2.80 1.22 -0.07 3.88 0.00 -1.26 -2.48 107.32 105.80 3hg1 s GLY 112 Ca 0.04 -1.52 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 3hg1 s GLY 112 CO -0.08 -1.61 0.64 -2.52 0.00 0.00 0.00 173.10 169.53 3hg1 s TYR 113 N -2.92 -0.62 -0.27 1.90 1.13 -1.18 -4.74 117.35 110.65 3hg1 s TYR 113 Ca 0.17 1.13 -0.00 0.00 -1.41 0.00 0.00 57.07 56.97 3hg1 s TYR 113 Cb -0.00 0.36 0.15 0.00 -1.10 0.00 0.00 41.96 41.36 3hg1 s TYR 113 CO 0.04 -0.55 0.41 -1.58 -2.51 0.00 0.00 175.55 171.35 3hg1 s HIS 114 N -1.00 -0.99 0.10 -3.49 2.46 -1.26 -2.13 115.29 108.98 3hg1 s HIS 114 Ca -0.10 0.64 0.08 0.00 0.47 0.00 0.00 55.06 56.16 3hg1 s HIS 114 Cb -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 32.58 32.37 3hg1 s HIS 114 CO 0.08 -0.87 -0.18 -0.65 -2.47 0.00 0.00 174.74 170.65 3hg1 s GLN 115 N 2.57 1.86 -0.01 2.88 -0.21 0.11 -2.20 119.66 124.66 3hg1 s GLN 115 Ca 0.12 -1.13 0.02 0.00 0.02 0.00 0.00 55.36 54.39 3hg1 s GLN 115 Cb -0.14 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.74 3hg1 s GLN 115 CO -0.24 0.50 -0.08 -0.47 -2.12 0.00 0.00 175.29 172.88 3hg1 s TYR 116 N -1.08 0.71 0.03 0.91 6.14 -0.71 -0.76 117.35 122.59 3hg1 s TYR 116 Ca 0.17 -0.14 0.00 0.00 0.64 0.00 0.00 57.07 57.74 3hg1 s TYR 116 Cb -0.11 -0.47 -0.02 0.00 0.42 0.00 0.00 41.96 41.78 3hg1 s TYR 116 CO 0.09 -0.03 -0.04 0.00 0.64 0.00 0.00 175.55 176.21 3hg1 s ALA 117 N -0.10 0.29 -0.05 3.97 0.00 0.27 -1.06 121.76 125.08 3hg1 s ALA 117 Ca 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3hg1 s ALA 117 Cb -0.04 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3hg1 s ALA 117 CO -0.00 -0.17 -0.08 -0.47 0.00 0.00 0.00 175.76 175.04 3hg1 s TYR 118 N -1.87 1.03 -1.52 0.00 5.04 0.55 -0.79 117.35 119.78 3hg1 s TYR 118 Ca -0.11 -0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 54.09 3hg1 s TYR 118 Cb -0.07 -0.80 0.08 0.00 0.35 0.00 0.00 41.96 41.52 3hg1 s TYR 118 CO -0.02 -0.19 0.82 -0.25 -1.34 0.00 0.00 175.55 174.56 3hg1 n ASP 119 N 3.77 -3.28 0.00 4.32 10.43 0.17 -1.73 116.55 130.23 3hg1 n ASP 119 Ca -0.23 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.26 3hg1 n ASP 119 Cb 0.52 -3.53 0.00 0.00 1.84 0.00 0.00 41.12 39.95 3hg1 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hg1 n GLY 120 N -1.65 0.53 3.27 0.44 0.00 -1.26 -5.02 105.19 101.50 3hg1 n GLY 120 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3hg1 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg1 s LYS 121 N -0.31 1.08 0.14 1.61 1.02 -0.71 -5.10 119.74 117.47 3hg1 s LYS 121 Ca 0.00 -1.14 -0.34 0.00 0.02 0.00 0.00 55.97 54.51 3hg1 s LYS 121 Cb 0.00 -1.27 -0.13 0.00 -0.52 0.00 0.00 37.83 35.90 3hg1 s LYS 121 CO 0.00 0.29 1.64 -0.25 -0.92 0.00 0.00 175.35 176.11 3hg1 n ASP 122 N 1.05 3.28 -0.09 2.83 10.43 -1.26 -0.33 116.55 132.46 3hg1 n ASP 122 Ca -0.19 1.07 -0.18 0.00 2.57 0.00 0.00 54.79 58.06 3hg1 n ASP 122 Cb 0.54 -1.45 -0.06 0.00 1.84 0.00 0.00 41.12 42.00 3hg1 n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hg1 n TYR 123 N 3.90 0.00 -3.64 1.24 9.36 -0.22 -4.58 117.16 123.21 3hg1 n TYR 123 Ca 0.17 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.30 3hg1 n TYR 123 Cb 0.30 -0.61 -0.07 0.00 -0.63 0.00 0.00 39.34 38.33 3hg1 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hg1 s ILE 124 N -2.40 0.00 0.05 2.97 2.07 -1.08 -2.05 121.20 120.77 3hg1 s ILE 124 Ca -0.25 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3hg1 s ILE 124 Cb 0.09 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 3hg1 s ILE 124 CO 0.32 0.00 -0.05 0.00 -1.91 0.00 0.00 174.94 173.30 3hg1 s ALA 125 N 0.79 0.55 -0.08 1.50 0.00 -1.06 -1.74 121.76 121.72 3hg1 s ALA 125 Ca -0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 3hg1 s ALA 125 Cb -0.05 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hg1 s ALA 125 CO -0.09 -0.17 0.55 -1.17 0.00 0.00 0.00 175.76 174.89 3hg1 s LEU 126 N -2.13 4.32 1.02 0.00 2.96 -0.93 -0.38 118.68 123.54 3hg1 s LEU 126 Ca -0.03 0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 54.73 3hg1 s LEU 126 Cb -0.03 -2.83 0.20 0.00 0.50 0.00 0.00 46.19 44.03 3hg1 s LEU 126 CO -0.03 0.00 1.09 -0.54 -1.32 0.00 0.00 176.35 175.55 3hg1 s LYS 127 N 0.47 0.23 0.26 1.98 1.02 0.15 -4.53 119.74 119.32 3hg1 s LYS 127 Ca 0.30 0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.77 3hg1 s LYS 127 Cb -0.16 -1.71 0.54 0.00 -0.52 0.00 0.00 37.83 35.97 3hg1 s LYS 127 CO 0.14 -2.87 1.74 1.49 -0.92 0.00 0.00 175.35 174.93 3hg1 h GLU 128 N -1.99 0.49 0.00 1.68 4.57 -1.89 0.28 114.58 117.72 3hg1 h GLU 128 Ca -0.56 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3hg1 h GLU 128 Cb 1.33 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3hg1 h GLU 128 CO 0.57 0.33 0.00 -0.40 -1.18 0.00 0.00 179.01 178.33 3hg1 n ASP 129 N -4.96 0.00 -4.38 1.04 5.75 -1.26 -4.59 116.55 108.15 3hg1 n ASP 129 Ca 0.17 -0.68 -0.39 0.00 -0.01 0.00 0.00 54.79 53.88 3hg1 n ASP 129 Cb 0.47 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 3hg1 n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hg1 n LEU 130 N -0.51 -1.22 0.00 -2.12 4.77 0.09 -4.66 117.00 113.35 3hg1 n LEU 130 Ca 0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3hg1 n LEU 130 Cb 0.00 -1.80 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 3hg1 n LEU 130 CO 0.00 0.22 0.00 -1.14 -1.33 0.00 0.00 177.39 175.14 3hg1 n ARG 131 N -4.25 0.00 -3.91 3.23 3.00 -1.26 -4.65 116.66 108.82 3hg1 n ARG 131 Ca 0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.66 3hg1 n ARG 131 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 32.46 32.65 3hg1 n ARG 131 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3hg1 s SER 132 N -3.61 6.33 -0.04 6.15 0.01 -1.26 -4.89 113.70 116.38 3hg1 s SER 132 Ca 0.00 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.45 3hg1 s SER 132 Cb 0.00 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 3hg1 s SER 132 CO 0.00 -0.06 -0.21 0.26 0.41 0.00 0.00 173.24 173.64 3hg1 s TRP 133 N -1.94 2.50 -0.41 2.43 0.52 -1.26 0.34 118.94 121.11 3hg1 s TRP 133 Ca 0.35 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.97 3hg1 s TRP 133 Cb -0.10 -1.58 0.08 0.00 -1.15 0.00 0.00 33.47 30.72 3hg1 s TRP 133 CO 0.29 -0.01 0.25 0.99 0.02 0.00 0.00 176.95 178.49 3hg1 s THR 134 N -0.52 4.13 -0.25 2.01 2.01 0.49 -4.93 115.64 118.58 3hg1 s THR 134 Ca 0.07 -1.44 -0.24 0.00 0.31 0.00 0.00 61.69 60.39 3hg1 s THR 134 Cb -0.11 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3hg1 s THR 134 CO 0.01 -0.50 0.79 0.00 -0.69 0.00 0.00 174.62 174.22 3hg1 s ALA 135 N 1.40 3.63 0.05 7.40 0.00 -1.26 -2.57 121.76 130.41 3hg1 s ALA 135 Ca 0.03 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 3hg1 s ALA 135 Cb -0.23 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 3hg1 s ALA 135 CO 0.02 -0.93 1.54 0.00 0.00 0.00 0.00 175.76 176.39 3hg1 h ALA 136 N 7.75 -0.28 -3.10 0.00 0.00 -1.66 -3.46 119.26 118.52 3hg1 h ALA 136 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hg1 h ALA 136 Cb 1.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hg1 h ALA 136 CO 0.86 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 3hg1 n ASP 137 N -5.15 0.45 -0.02 0.00 3.85 -1.26 -5.01 116.55 109.41 3hg1 n ASP 137 Ca -0.09 -0.43 -0.02 0.00 -0.71 0.00 0.00 54.79 53.55 3hg1 n ASP 137 Cb 0.18 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.20 3hg1 n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 3hg1 h MET 138 N 0.00 0.57 0.49 0.11 1.85 -1.99 -2.86 114.93 113.10 3hg1 h MET 138 Ca 0.00 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 3hg1 h MET 138 Cb 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 31.96 3hg1 h MET 138 CO 0.00 0.63 -0.23 0.00 -0.40 0.00 0.00 176.91 176.91 3hg1 h ALA 139 N 1.41 -0.65 -0.97 0.39 0.00 -1.95 -2.90 119.26 114.58 3hg1 h ALA 139 Ca 0.11 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.08 3hg1 h ALA 139 Cb 0.43 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3hg1 h ALA 139 CO 0.02 -0.77 0.65 0.00 0.00 0.00 0.00 179.25 179.15 3hg1 h ALA 140 N -0.45 2.40 -0.39 0.00 0.00 -1.78 -0.31 119.26 118.74 3hg1 h ALA 140 Ca -0.07 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3hg1 h ALA 140 Cb 0.58 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3hg1 h ALA 140 CO 0.11 -0.72 -0.06 1.96 0.00 0.00 0.00 179.25 180.54 3hg1 h GLN 141 N 0.30 0.03 -0.53 0.00 1.08 -1.29 0.31 115.11 115.01 3hg1 h GLN 141 Ca 0.51 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.80 3hg1 h GLN 141 Cb 1.45 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.80 3hg1 h GLN 141 CO -0.17 0.02 0.06 1.15 -0.95 0.00 0.00 178.83 178.94 3hg1 h THR 142 N 0.03 0.64 -0.49 -0.54 2.02 -1.08 -1.56 112.91 111.94 3hg1 h THR 142 Ca 0.19 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3hg1 h THR 142 Cb 0.28 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3hg1 h THR 142 CO -0.37 0.03 0.10 0.74 0.37 0.00 0.00 175.52 176.39 3hg1 h THR 143 N 0.18 1.24 0.00 3.16 2.02 -0.97 -2.66 112.91 115.88 3hg1 h THR 143 Ca 0.27 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3hg1 h THR 143 Cb 0.40 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hg1 h THR 143 CO -0.39 0.31 0.00 2.29 0.37 0.00 0.00 175.52 178.10 3hg1 n LYS 144 N -4.45 0.10 0.07 6.66 2.85 0.93 -0.58 118.16 123.73 3hg1 n LYS 144 Ca 0.01 0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.21 3hg1 n LYS 144 Cb 0.23 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.97 3hg1 n LYS 144 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3hg1 h HIS 145 N 0.00 0.52 0.07 5.58 3.86 -0.96 -2.73 115.15 121.49 3hg1 h HIS 145 Ca 0.00 -0.38 -0.26 0.00 -1.16 0.00 0.00 60.37 58.57 3hg1 h HIS 145 Cb 0.30 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3hg1 h HIS 145 CO 0.00 1.45 -1.24 1.57 0.86 0.00 0.00 177.93 180.56 3hg1 h LYS 146 N 0.08 0.14 0.00 2.45 2.10 -1.27 -2.18 116.57 117.89 3hg1 h LYS 146 Ca -0.26 -0.24 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3hg1 h LYS 146 Cb 2.04 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 33.46 3hg1 h LYS 146 CO 0.17 1.06 -0.00 -1.49 -2.00 0.00 0.00 179.45 177.18 3hg1 h TRP 147 N 0.04 0.00 0.02 0.07 4.06 -0.95 -0.80 115.95 118.39 3hg1 h TRP 147 Ca -0.12 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.54 3hg1 h TRP 147 Cb 1.91 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 30.02 3hg1 h TRP 147 CO 0.03 0.00 -1.69 0.93 -3.56 0.00 0.00 178.44 174.16 3hg1 h GLU 148 N 0.00 0.04 -0.53 0.49 5.08 -1.43 -1.00 114.58 117.23 3hg1 h GLU 148 Ca -0.00 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3hg1 h GLU 148 Cb 0.45 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3hg1 h GLU 148 CO 0.00 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 178.52 3hg1 h ALA 149 N 0.86 0.75 -0.32 3.43 0.00 -0.81 -2.79 119.26 120.39 3hg1 h ALA 149 Ca -0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hg1 h ALA 149 Cb 2.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3hg1 h ALA 149 CO 0.09 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.01 3hg1 n ALA 150 N -2.51 2.46 -3.92 0.00 0.00 -0.36 -4.92 120.51 111.27 3hg1 n ALA 150 Ca 0.01 -0.62 -0.26 0.00 0.00 0.00 0.00 53.44 52.57 3hg1 n ALA 150 Cb 0.42 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3hg1 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hg1 n HIS 151 N 0.53 -1.75 -0.24 0.00 -0.00 -1.05 -4.85 115.22 107.86 3hg1 n HIS 151 Ca 0.14 0.78 -0.07 0.00 -0.00 0.00 0.00 57.72 58.57 3hg1 n HIS 151 Cb 0.32 -3.83 0.04 0.00 -0.00 0.00 0.00 29.99 26.52 3hg1 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hg1 h VAL 152 N -1.83 1.24 -0.57 1.59 2.07 -1.46 -2.96 116.25 114.33 3hg1 h VAL 152 Ca -0.62 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 66.20 3hg1 h VAL 152 Cb 1.37 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3hg1 h VAL 152 CO 0.63 0.31 0.22 0.00 0.02 0.00 0.00 177.57 178.75 3hg1 h ALA 153 N 1.11 0.72 -0.68 1.67 0.00 -1.89 0.57 119.26 120.77 3hg1 h ALA 153 Ca 0.22 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3hg1 h ALA 153 Cb 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3hg1 h ALA 153 CO -0.02 -0.17 0.38 0.93 0.00 0.00 0.00 179.25 180.37 3hg1 h GLU 154 N 0.42 0.69 -0.40 0.00 3.07 -1.79 0.46 114.58 117.03 3hg1 h GLU 154 Ca 0.28 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3hg1 h GLU 154 Cb 0.30 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3hg1 h GLU 154 CO -0.26 0.46 0.11 1.96 -1.40 0.00 0.00 179.01 179.87 3hg1 h GLN 155 N 0.71 0.63 -0.79 2.33 4.20 -1.13 -1.56 115.11 119.50 3hg1 h GLN 155 Ca 0.30 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3hg1 h GLN 155 Cb 0.17 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3hg1 h GLN 155 CO -0.17 0.64 0.31 -0.07 -0.67 0.00 0.00 178.83 178.87 3hg1 h LEU 156 N 0.50 1.10 0.12 1.46 3.38 -0.18 -2.75 115.31 118.95 3hg1 h LEU 156 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hg1 h LEU 156 Cb 0.29 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hg1 h LEU 156 CO -0.00 0.98 -0.08 -0.09 0.09 0.00 0.00 178.44 179.33 3hg1 h ARG 157 N 1.15 -0.20 -0.83 1.13 2.43 0.20 0.16 114.38 118.43 3hg1 h ARG 157 Ca 0.26 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.62 3hg1 h ARG 157 Cb 0.23 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 29.67 3hg1 h ARG 157 CO -0.02 -0.13 -0.18 0.00 -1.51 0.00 0.00 179.97 178.12 3hg1 h ALA 158 N 0.67 0.59 0.42 2.80 0.00 -1.07 -0.96 119.26 121.70 3hg1 h ALA 158 Ca -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hg1 h ALA 158 Cb 0.18 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hg1 h ALA 158 CO 0.00 -0.41 -0.20 -0.92 0.00 0.00 0.00 179.25 177.72 3hg1 h TYR 159 N 0.01 -0.52 -0.42 0.00 3.20 -1.09 -1.31 116.97 116.84 3hg1 h TYR 159 Ca 0.41 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.33 3hg1 h TYR 159 Cb 0.64 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.99 3hg1 h TYR 159 CO -0.63 -0.32 -0.47 -0.07 -1.64 0.00 0.00 178.16 175.03 3hg1 h LEU 160 N -0.81 -1.56 -0.68 2.82 3.38 -0.31 -0.35 115.31 117.80 3hg1 h LEU 160 Ca -0.06 0.23 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3hg1 h LEU 160 Cb 0.43 0.67 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3hg1 h LEU 160 CO 0.09 -0.38 -0.66 -0.08 0.09 0.00 0.00 178.44 177.51 3hg1 h GLU 161 N -0.35 0.00 0.00 1.13 4.81 -1.34 -3.33 114.58 115.50 3hg1 h GLU 161 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hg1 h GLU 161 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hg1 h GLU 161 CO -0.59 0.66 0.00 0.41 -0.73 0.00 0.00 179.01 178.76 3hg1 n GLY 162 N 0.36 0.24 0.38 1.92 0.00 -0.49 -4.59 105.19 103.01 3hg1 n GLY 162 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 3hg1 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hg1 h THR 163 N 0.00 0.29 -1.03 2.61 2.02 -1.17 -3.05 112.91 112.59 3hg1 h THR 163 Ca 0.00 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.46 3hg1 h THR 163 Cb 0.00 0.29 -0.12 0.00 -1.74 0.00 0.00 68.15 66.58 3hg1 h THR 163 CO 0.00 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.51 3hg1 h VAL 165 N 0.46 1.31 0.86 0.00 -1.51 -1.64 -1.71 116.25 114.02 3hg1 h VAL 165 Ca 0.67 -1.58 -0.04 0.00 -1.23 0.00 0.00 66.70 64.51 3hg1 h VAL 165 Cb 1.45 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 3hg1 h VAL 165 CO -0.47 0.50 -0.48 -0.33 -1.23 0.00 0.00 177.57 175.56 3hg1 h GLU 166 N 0.38 -1.20 -0.25 5.19 5.08 -1.09 -1.40 114.58 121.30 3hg1 h GLU 166 Ca 0.02 0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3hg1 h GLU 166 Cb 0.97 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3hg1 h GLU 166 CO 0.09 -0.80 0.19 -1.49 -1.00 0.00 0.00 179.01 175.99 3hg1 h TRP 167 N -1.24 0.00 0.78 4.33 4.06 -1.42 0.39 115.95 122.84 3hg1 h TRP 167 Ca -0.12 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.79 3hg1 h TRP 167 Cb 0.98 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 3hg1 h TRP 167 CO -0.06 0.00 -0.38 1.25 -3.56 0.00 0.00 178.44 175.69 3hg1 h LEU 168 N 0.00 -0.89 -2.12 -4.49 5.85 -0.80 0.03 115.31 112.90 3hg1 h LEU 168 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hg1 h LEU 168 Cb 0.49 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3hg1 h LEU 168 CO -0.00 -0.57 -0.05 0.08 -0.34 0.00 0.00 178.44 177.56 3hg1 h ARG 169 N -1.17 0.00 -0.20 1.25 0.11 -0.32 0.15 114.38 114.21 3hg1 h ARG 169 Ca -0.11 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.93 3hg1 h ARG 169 Cb 0.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 3hg1 h ARG 169 CO 0.18 0.05 -0.06 -0.09 0.10 0.00 0.00 179.97 180.14 3hg1 h ARG 170 N 0.00 0.39 -0.50 0.08 2.43 0.09 -1.85 114.38 115.02 3hg1 h ARG 170 Ca -0.00 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 3hg1 h ARG 170 Cb 0.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3hg1 h ARG 170 CO 0.01 0.65 -0.10 1.88 -1.51 0.00 0.00 179.97 180.90 3hg1 h TYR 171 N 0.10 1.06 0.00 2.20 0.05 0.23 -2.37 116.97 118.23 3hg1 h TYR 171 Ca 0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 3hg1 h TYR 171 Cb 0.52 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3hg1 h TYR 171 CO 0.06 1.01 -0.00 -0.07 -1.05 0.00 0.00 178.16 178.10 3hg1 h LEU 172 N 0.80 0.00 0.01 3.88 3.38 -0.69 0.27 115.31 122.96 3hg1 h LEU 172 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.83 3hg1 h LEU 172 Cb 0.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 3hg1 h LEU 172 CO 0.04 0.00 -1.13 -0.08 0.09 0.00 0.00 178.44 177.37 3hg1 h GLU 173 N 0.00 0.49 0.08 1.13 4.57 -0.92 -2.92 114.58 117.01 3hg1 h GLU 173 Ca -0.00 -0.63 -0.27 0.00 -1.18 0.00 0.00 59.36 57.29 3hg1 h GLU 173 Cb 0.01 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3hg1 h GLU 173 CO 0.00 1.25 -1.29 -0.91 -1.18 0.00 0.00 179.01 176.89 3hg1 h ASN 174 N 0.23 0.25 -0.58 1.04 -0.26 -0.87 -3.20 115.58 112.19 3hg1 h ASN 174 Ca -0.14 -0.30 -0.22 0.00 -0.56 0.00 0.00 56.30 55.07 3hg1 h ASN 174 Cb 1.80 -0.08 -0.13 0.00 -1.06 0.00 0.00 38.32 38.84 3hg1 h ASN 174 CO 0.20 1.24 0.28 0.61 -1.06 0.00 0.00 177.43 178.71 3hg1 n GLY 175 N 1.52 3.28 0.24 2.83 0.00 0.87 -4.59 105.19 109.35 3hg1 n GLY 175 Ca -0.09 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.28 3hg1 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hg1 h LYS 176 N 1.49 0.00 0.06 1.61 2.10 -1.51 0.79 116.57 121.12 3hg1 h LYS 176 Ca 0.28 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.56 3hg1 h LYS 176 Cb 2.02 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.31 3hg1 h LYS 176 CO 0.61 0.00 -2.13 0.39 -2.00 0.00 0.00 179.45 176.32 3hg1 n GLU 177 N -2.30 0.69 0.00 0.07 4.71 -1.26 -4.11 120.64 118.43 3hg1 n GLU 177 Ca -0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 3hg1 n GLU 177 Cb 0.56 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 3hg1 n GLU 177 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3hg1 n THR 178 N -3.56 0.00 0.19 2.62 -1.04 0.11 -3.07 114.28 109.52 3hg1 n THR 178 Ca -0.38 0.47 0.14 0.00 -2.04 0.00 0.00 64.05 62.24 3hg1 n THR 178 Cb 0.98 -1.43 0.74 0.00 -1.82 0.00 0.00 70.33 68.80 3hg1 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hg1 h LEU 179 N 0.00 0.00 -2.72 -4.42 3.38 -1.40 -2.13 115.31 108.02 3hg1 h LEU 179 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hg1 h LEU 179 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hg1 h LEU 179 CO 0.00 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.20 3hg1 n GLN 180 N -4.22 2.65 0.00 1.13 7.27 -1.21 -4.94 117.38 118.06 3hg1 n GLN 180 Ca 0.01 -2.09 0.00 0.00 0.07 0.00 0.00 57.00 54.99 3hg1 n GLN 180 Cb 0.27 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.60 3hg1 n GLN 180 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3hg1 n ARG 181 N 0.76 1.95 0.00 3.69 1.85 -0.80 -4.93 116.66 119.17 3hg1 n ARG 181 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3hg1 n ARG 181 Cb 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 3hg1 n ARG 181 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3hg1 n THR 182 N -0.11 0.00 -1.24 8.89 5.66 -1.26 -4.90 114.28 121.32 3hg1 n THR 182 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 3hg1 n THR 182 Cb 0.00 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 68.90 3hg1 n THR 182 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3hg1 s ASP 183 N 0.00 3.89 0.11 1.09 1.11 -0.46 -4.75 116.67 117.66 3hg1 s ASP 183 Ca 0.00 1.61 0.10 0.00 0.18 0.00 0.00 52.55 54.44 3hg1 s ASP 183 Cb 0.00 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.66 3hg1 s ASP 183 CO 0.00 -2.39 -0.27 0.00 1.18 0.00 0.00 175.17 173.69 3hg1 s ALA 184 N -2.93 2.35 -0.08 5.23 0.00 -1.26 -3.47 121.76 121.61 3hg1 s ALA 184 Ca 0.62 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 3hg1 s ALA 184 Cb -0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 3hg1 s ALA 184 CO 0.57 0.54 1.80 -1.25 0.00 0.00 0.00 175.76 177.41 3hg1 s PRO 185 N -1.84 3.99 -1.39 0.00 0.04 -1.26 -4.38 135.00 130.16 3hg1 s PRO 185 Ca 0.13 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 3hg1 s PRO 185 Cb -0.10 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.44 3hg1 s PRO 185 CO 0.05 -1.09 2.15 1.63 0.04 0.00 0.00 177.00 179.77 3hg1 n LYS 186 N 7.52 3.32 -1.45 4.56 4.76 0.33 -4.83 118.16 132.37 3hg1 n LYS 186 Ca 0.20 -3.00 -0.35 0.00 -2.87 0.00 0.00 58.31 52.29 3hg1 n LYS 186 Cb 0.43 -3.07 0.10 0.00 -1.84 0.00 0.00 35.03 30.64 3hg1 n LYS 186 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hg1 s THR 187 N 1.74 2.06 -0.01 -0.18 -4.23 -1.26 -3.57 115.64 110.19 3hg1 s THR 187 Ca 0.46 0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 3hg1 s THR 187 Cb 0.13 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.33 3hg1 s THR 187 CO -0.05 -0.01 0.79 -1.38 -0.54 0.00 0.00 174.62 173.42 3hg1 s HIS 188 N -1.77 -0.48 0.37 3.99 -3.43 -1.21 -4.91 115.29 107.85 3hg1 s HIS 188 Ca 0.78 0.57 0.09 0.00 -0.80 0.00 0.00 55.06 55.70 3hg1 s HIS 188 Cb -0.33 0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 31.24 3hg1 s HIS 188 CO 0.45 -0.59 -0.04 1.41 -2.00 0.00 0.00 174.74 173.97 3hg1 s MET 189 N -2.33 1.91 -0.05 -0.38 1.75 -1.26 0.29 119.30 119.23 3hg1 s MET 189 Ca -0.02 -1.98 -0.10 0.00 -1.25 0.00 0.00 55.69 52.35 3hg1 s MET 189 Cb -0.01 -1.71 0.02 0.00 2.84 0.00 0.00 34.83 35.97 3hg1 s MET 189 CO -0.03 0.07 0.23 0.95 -0.65 0.00 0.00 175.02 175.59 3hg1 s THR 190 N -2.64 0.04 0.00 10.11 -4.23 -0.83 -4.96 115.64 113.14 3hg1 s THR 190 Ca 0.34 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 3hg1 s THR 190 Cb 0.05 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.45 3hg1 s THR 190 CO 0.17 -0.17 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 3hg1 n HIS 191 N 2.12 0.00 0.00 3.99 1.44 -1.26 -0.88 115.22 120.63 3hg1 n HIS 191 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 3hg1 n HIS 191 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 3hg1 n HIS 191 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hg1 n HIS 192 N 0.00 0.00 -2.32 -1.40 8.25 -1.23 -4.38 115.22 114.14 3hg1 n HIS 192 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3hg1 n HIS 192 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3hg1 n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hg1 s ALA 193 N 0.00 3.47 -0.03 -1.41 0.00 -1.26 0.22 121.76 122.75 3hg1 s ALA 193 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3hg1 s ALA 193 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.68 3hg1 s ALA 193 CO 0.00 -0.50 1.12 1.33 0.00 0.00 0.00 175.76 177.71 3hg1 n VAL 194 N 3.86 1.20 -1.26 0.00 0.24 -0.98 -4.87 118.33 116.51 3hg1 n VAL 194 Ca 0.10 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3hg1 n VAL 194 Cb 0.45 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 3hg1 n VAL 194 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3hg1 n SER 195 N 0.47 -5.65 -0.49 -1.34 7.64 -1.26 -4.83 113.62 108.17 3hg1 n SER 195 Ca 0.04 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3hg1 n SER 195 Cb 0.57 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 3hg1 n SER 195 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hg1 n ASP 196 N 0.84 0.00 0.00 6.43 3.85 -1.26 -4.31 116.55 122.11 3hg1 n ASP 196 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3hg1 n ASP 196 Cb 0.00 -1.46 0.00 0.00 -1.35 0.00 0.00 41.12 38.31 3hg1 n ASP 196 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3hg1 n HIS 197 N -2.81 0.00 -2.26 2.11 8.25 -1.26 -4.73 115.22 114.51 3hg1 n HIS 197 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 3hg1 n HIS 197 Cb 0.05 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.22 3hg1 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hg1 s GLU 198 N 0.00 2.45 0.13 -0.41 2.02 -1.26 0.37 118.70 122.01 3hg1 s GLU 198 Ca 0.00 -0.17 -0.16 0.00 0.02 0.00 0.00 54.97 54.66 3hg1 s GLU 198 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.06 3hg1 s GLU 198 CO 0.00 -1.05 0.40 0.00 0.02 0.00 0.00 175.26 174.64 3hg1 s ALA 199 N -3.16 -0.91 -0.21 5.21 0.00 1.61 -2.33 121.76 121.97 3hg1 s ALA 199 Ca 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3hg1 s ALA 199 Cb -0.11 0.71 0.06 0.00 0.00 0.00 0.00 23.12 23.78 3hg1 s ALA 199 CO 0.45 -0.65 0.02 0.99 0.00 0.00 0.00 175.76 176.56 3hg1 s THR 200 N -3.81 0.81 0.26 0.00 2.01 0.13 0.31 115.64 115.35 3hg1 s THR 200 Ca 0.04 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 3hg1 s THR 200 Cb 0.02 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 3hg1 s THR 200 CO -0.11 -0.22 0.72 -0.76 -0.69 0.00 0.00 174.62 173.56 3hg1 s LEU 201 N 1.72 4.21 -0.27 4.42 1.43 -1.03 -3.57 118.68 125.60 3hg1 s LEU 201 Ca -0.01 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3hg1 s LEU 201 Cb -0.18 -3.79 0.07 0.00 0.03 0.00 0.00 46.19 42.32 3hg1 s LEU 201 CO -0.09 -0.07 -0.04 -0.60 0.23 0.00 0.00 176.35 175.78 3hg1 s ARG 202 N -2.45 1.67 -0.66 1.70 3.52 -0.06 -2.37 118.95 120.30 3hg1 s ARG 202 Ca 0.48 -1.24 -0.23 0.00 -0.13 0.00 0.00 55.73 54.61 3hg1 s ARG 202 Cb -0.14 -2.72 0.07 0.00 -1.56 0.00 0.00 34.95 30.60 3hg1 s ARG 202 CO 0.19 -0.68 0.99 0.00 -0.81 0.00 0.00 175.30 174.99 3hg1 s TRP 204 N 4.19 2.19 -0.30 0.00 0.52 0.15 -2.41 118.94 123.29 3hg1 s TRP 204 Ca 0.23 0.28 -0.13 0.00 0.02 0.00 0.00 56.10 56.50 3hg1 s TRP 204 Cb -0.16 -3.50 0.18 0.00 -1.15 0.00 0.00 33.47 28.84 3hg1 s TRP 204 CO 0.11 -1.94 1.10 0.00 0.02 0.00 0.00 176.95 176.24 3hg1 s ALA 205 N -3.48 -4.01 0.20 0.98 0.00 -0.95 -3.28 121.76 111.21 3hg1 s ALA 205 Ca 0.66 1.37 0.10 0.00 0.00 0.00 0.00 51.96 54.10 3hg1 s ALA 205 Cb -0.07 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3hg1 s ALA 205 CO 0.48 -1.91 -0.21 -0.51 0.00 0.00 0.00 175.76 173.61 3hg1 s LEU 206 N 2.97 2.46 -0.62 0.00 1.43 -1.23 -2.47 118.68 121.22 3hg1 s LEU 206 Ca 0.18 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 3hg1 s LEU 206 Cb -0.04 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3hg1 s LEU 206 CO -0.18 0.05 0.54 -1.20 0.23 0.00 0.00 176.35 175.79 3hg1 n SER 207 N 0.12 -4.26 -4.17 2.29 7.64 -1.16 -0.51 113.62 113.57 3hg1 n SER 207 Ca -0.11 -0.40 -0.18 0.00 1.01 0.00 0.00 58.87 59.18 3hg1 n SER 207 Cb 0.57 -3.22 -0.12 0.00 -1.01 0.00 0.00 64.21 60.43 3hg1 n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hg1 s PHE 208 N -3.22 1.19 -0.18 1.43 -0.12 -1.18 -4.00 117.98 111.90 3hg1 s PHE 208 Ca 0.22 -0.46 -0.14 0.00 -0.05 0.00 0.00 56.93 56.50 3hg1 s PHE 208 Cb -0.03 -0.67 0.05 0.00 -0.63 0.00 0.00 43.02 41.74 3hg1 s PHE 208 CO 0.43 0.05 0.46 -0.47 -0.05 0.00 0.00 175.22 175.63 3hg1 s TYR 209 N -1.29 -0.55 1.10 3.49 5.04 -1.23 -1.74 117.35 122.17 3hg1 s TYR 209 Ca -0.02 1.28 -0.18 0.00 -2.44 0.00 0.00 57.07 55.71 3hg1 s TYR 209 Cb -0.10 0.22 0.27 0.00 0.35 0.00 0.00 41.96 42.70 3hg1 s TYR 209 CO 0.02 -0.28 1.06 -0.35 -1.34 0.00 0.00 175.55 174.66 3hg1 n PRO 210 N 3.26 -2.63 0.21 4.97 -0.04 -1.26 -1.35 135.00 138.15 3hg1 n PRO 210 Ca -0.16 -1.69 0.07 0.00 -0.04 0.00 0.00 63.50 61.69 3hg1 n PRO 210 Cb 0.56 -1.47 0.46 0.00 -0.04 0.00 0.00 33.50 33.01 3hg1 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hg1 h ALA 211 N -2.51 1.15 -2.18 0.55 0.00 -1.94 -3.44 119.26 110.89 3hg1 h ALA 211 Ca -0.39 -0.26 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 3hg1 h ALA 211 Cb 1.16 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.95 3hg1 h ALA 211 CO 0.26 0.36 0.86 -1.91 0.00 0.00 0.00 179.25 178.81 3hg1 n GLU 212 N -3.65 2.10 -3.64 0.00 2.13 -1.26 -4.92 120.64 111.41 3hg1 n GLU 212 Ca -0.01 0.76 -0.06 0.00 0.66 0.00 0.00 57.16 58.51 3hg1 n GLU 212 Cb 0.41 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 3hg1 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3hg1 s ILE 213 N 1.69 0.00 0.02 6.31 2.07 -1.26 -4.81 121.20 125.21 3hg1 s ILE 213 Ca 0.83 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 60.13 3hg1 s ILE 213 Cb -0.70 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 3hg1 s ILE 213 CO 0.42 0.00 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.35 3hg1 s THR 214 N -0.13 1.65 -0.30 4.00 2.01 -1.01 -5.01 115.64 116.84 3hg1 s THR 214 Ca 0.05 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 3hg1 s THR 214 Cb -0.04 -1.40 0.13 0.00 0.01 0.00 0.00 72.50 71.20 3hg1 s THR 214 CO -0.09 0.32 0.26 -1.48 -0.69 0.00 0.00 174.62 172.94 3hg1 s LEU 215 N -0.87 -0.01 -0.07 4.42 0.05 -1.26 -0.79 118.68 120.15 3hg1 s LEU 215 Ca 0.08 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.27 3hg1 s LEU 215 Cb -0.08 0.29 -0.03 0.00 -2.05 0.00 0.00 46.19 44.32 3hg1 s LEU 215 CO 0.01 -0.39 -0.08 0.28 -0.55 0.00 0.00 176.35 175.62 3hg1 s THR 216 N 2.17 3.58 0.56 5.48 -1.32 -1.01 -4.80 115.64 120.30 3hg1 s THR 216 Ca 0.10 -0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 59.98 3hg1 s THR 216 Cb -0.15 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 3hg1 s THR 216 CO -0.30 0.59 0.92 0.26 -2.21 0.00 0.00 174.62 173.88 3hg1 s TRP 217 N -0.72 3.57 0.35 9.09 0.52 -1.26 0.11 118.94 130.60 3hg1 s TRP 217 Ca 0.11 1.04 -0.14 0.00 0.02 0.00 0.00 56.10 57.12 3hg1 s TRP 217 Cb -0.11 -2.56 0.04 0.00 -1.15 0.00 0.00 33.47 29.69 3hg1 s TRP 217 CO 0.01 -0.54 0.71 1.14 0.02 0.00 0.00 176.95 178.30 3hg1 s GLN 218 N -4.99 2.07 -0.30 4.98 -2.07 -0.79 -2.05 119.66 116.52 3hg1 s GLN 218 Ca 0.52 -1.40 -0.18 0.00 -1.82 0.00 0.00 55.36 52.47 3hg1 s GLN 218 Cb -0.11 0.59 0.19 0.00 -1.09 0.00 0.00 33.01 32.59 3hg1 s GLN 218 CO 0.49 -0.95 1.23 -0.98 -1.32 0.00 0.00 175.29 173.76 3hg1 s ARG 219 N -2.79 0.09 1.37 9.60 1.04 -1.26 -3.14 118.95 123.86 3hg1 s ARG 219 Ca 0.17 0.21 0.00 0.00 -1.04 0.00 0.00 55.73 55.08 3hg1 s ARG 219 Cb -0.04 0.12 0.00 0.00 -2.04 0.00 0.00 34.95 32.99 3hg1 s ARG 219 CO 0.12 -0.03 0.00 -0.25 -0.04 0.00 0.00 175.30 175.10 3hg1 n ASP 220 N 4.49 0.00 0.00 -2.89 10.43 -1.26 -4.15 116.55 123.17 3hg1 n ASP 220 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3hg1 n ASP 220 Cb 0.55 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.51 3hg1 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hg1 n GLY 221 N 0.00 0.00 3.90 0.44 0.00 -1.26 -4.34 105.19 103.93 3hg1 n GLY 221 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hg1 n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hg1 s GLU 222 N 0.00 3.47 0.95 1.61 -1.05 -1.26 -5.11 118.70 117.31 3hg1 s GLU 222 Ca 0.00 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.42 3hg1 s GLU 222 Cb 0.00 -3.10 0.17 0.00 -0.44 0.00 0.00 34.13 30.76 3hg1 s GLU 222 CO 0.00 0.67 1.21 0.16 0.95 0.00 0.00 175.26 178.26 3hg1 s ASP 223 N -1.83 3.24 0.00 0.83 3.84 -1.26 -4.14 116.67 117.34 3hg1 s ASP 223 Ca 0.27 0.61 0.00 0.00 -0.00 0.00 0.00 52.55 53.43 3hg1 s ASP 223 Cb -0.13 -0.92 0.00 0.00 -1.38 0.00 0.00 42.92 40.49 3hg1 s ASP 223 CO 0.17 -2.69 0.00 1.67 -0.00 0.00 0.00 175.17 174.33 3hg1 n GLN 224 N -3.80 0.00 0.00 2.11 7.27 -0.87 -4.88 117.38 117.21 3hg1 n GLN 224 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3hg1 n GLN 224 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 3hg1 n GLN 224 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3hg1 n THR 225 N 0.91 0.00 0.00 1.69 -1.04 -1.26 -3.66 114.28 110.92 3hg1 n THR 225 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hg1 n THR 225 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hg1 n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg1 n GLN 226 N -1.93 0.00 -0.04 -2.82 10.64 -1.26 -4.66 117.38 117.31 3hg1 n GLN 226 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3hg1 n GLN 226 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3hg1 n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3hg1 n ASP 227 N 0.00 0.00 -4.06 2.61 9.92 -1.26 -4.55 116.55 119.20 3hg1 n ASP 227 Ca 0.00 -0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 53.90 3hg1 n ASP 227 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 3hg1 n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3hg1 s THR 228 N 0.08 2.42 -0.89 -3.53 -4.23 -1.25 -2.76 115.64 105.48 3hg1 s THR 228 Ca 0.00 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3hg1 s THR 228 Cb 0.00 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.23 3hg1 s THR 228 CO 0.00 -0.39 1.59 -0.70 -0.54 0.00 0.00 174.62 174.58 3hg1 s GLU 229 N 1.02 3.14 -0.28 3.99 2.12 0.39 -4.81 118.70 124.27 3hg1 s GLU 229 Ca 0.03 -0.54 -0.14 0.00 0.36 0.00 0.00 54.97 54.68 3hg1 s GLU 229 Cb -0.20 -4.94 -0.04 0.00 0.26 0.00 0.00 34.13 29.21 3hg1 s GLU 229 CO -0.06 -2.55 0.33 -1.17 -0.54 0.00 0.00 175.26 171.26 3hg1 s LEU 230 N 6.89 4.05 0.08 2.70 0.20 -1.26 -2.18 118.68 129.16 3hg1 s LEU 230 Ca 0.52 0.19 -0.15 0.00 0.69 0.00 0.00 54.13 55.38 3hg1 s LEU 230 Cb -0.05 -2.34 -0.06 0.00 -0.43 0.00 0.00 46.19 43.31 3hg1 s LEU 230 CO 0.01 -0.16 0.50 0.68 -0.29 0.00 0.00 176.35 177.09 3hg1 s VAL 231 N 1.99 4.90 0.35 1.68 -7.23 -1.16 -5.03 120.40 115.88 3hg1 s VAL 231 Ca 0.13 0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 60.92 3hg1 s VAL 231 Cb -0.16 -3.77 -0.12 0.00 0.56 0.00 0.00 36.38 32.90 3hg1 s VAL 231 CO 0.10 0.43 1.44 -1.84 -0.31 0.00 0.00 175.10 174.93 3hg1 n GLU 232 N 1.36 2.48 -1.68 4.82 0.28 -1.26 -4.56 120.64 122.08 3hg1 n GLU 232 Ca -0.09 0.87 -0.44 0.00 -0.16 0.00 0.00 57.16 57.34 3hg1 n GLU 232 Cb 0.52 -2.57 -0.03 0.00 1.43 0.00 0.00 31.44 30.80 3hg1 n GLU 232 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3hg1 n THR 233 N 0.76 0.88 -4.38 3.84 -1.04 -1.26 -4.92 114.28 108.16 3hg1 n THR 233 Ca 0.04 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 3hg1 n THR 233 Cb 0.37 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 67.20 3hg1 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg1 s ARG 234 N -0.30 1.41 -0.11 -2.82 1.70 -1.01 -4.99 118.95 112.83 3hg1 s ARG 234 Ca 0.68 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 3hg1 s ARG 234 Cb -0.62 -1.58 -0.01 0.00 -0.57 0.00 0.00 34.95 32.16 3hg1 s ARG 234 CO 0.48 0.33 1.02 -1.25 -1.08 0.00 0.00 175.30 174.80 3hg1 s PRO 235 N -2.81 4.41 0.52 3.89 0.04 -1.26 -1.16 135.00 138.63 3hg1 s PRO 235 Ca 0.19 1.41 0.29 0.00 0.04 0.00 0.00 61.00 62.92 3hg1 s PRO 235 Cb -0.07 -3.55 1.42 0.00 0.04 0.00 0.00 34.50 32.34 3hg1 s PRO 235 CO 0.09 -0.33 2.04 0.00 0.04 0.00 0.00 177.00 178.83 3hg1 h ALA 236 N 7.13 1.18 0.00 8.56 0.00 -1.48 -3.46 119.26 131.19 3hg1 h ALA 236 Ca -0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hg1 h ALA 236 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hg1 h ALA 236 CO 0.86 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.67 3hg1 n GLY 237 N -0.48 3.05 0.47 0.00 0.00 -1.25 -4.86 105.19 102.11 3hg1 n GLY 237 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3hg1 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hg1 n ASP 238 N 0.00 1.49 0.00 1.61 5.68 -1.26 -4.88 116.55 119.19 3hg1 n ASP 238 Ca 0.00 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 3hg1 n ASP 238 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 3hg1 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hg1 n GLY 239 N 1.19 2.08 2.68 6.12 0.00 -1.26 -5.10 105.19 110.89 3hg1 n GLY 239 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hg1 n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hg1 n THR 240 N 0.00 0.00 -4.12 2.61 -2.24 -1.26 -4.91 114.28 104.36 3hg1 n THR 240 Ca 0.00 -1.34 -0.15 0.00 -2.27 0.00 0.00 64.05 60.29 3hg1 n THR 240 Cb 0.00 -0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 67.47 3hg1 n THR 240 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hg1 s PHE 241 N -1.49 0.87 0.40 4.78 0.40 -0.71 -1.21 117.98 121.01 3hg1 s PHE 241 Ca 0.41 -0.46 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 3hg1 s PHE 241 Cb -0.03 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 3hg1 s PHE 241 CO 0.26 -0.03 0.24 -0.65 0.70 0.00 0.00 175.22 175.74 3hg1 s GLN 242 N -1.53 2.37 0.00 0.44 -0.21 -0.31 -2.98 119.66 117.44 3hg1 s GLN 242 Ca -0.06 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.66 3hg1 s GLN 242 Cb -0.09 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.75 3hg1 s GLN 242 CO 0.01 -0.09 0.00 1.17 -2.12 0.00 0.00 175.29 174.27 3hg1 n LYS 243 N -1.32 0.00 -3.67 2.91 4.81 -1.03 -2.40 118.16 117.45 3hg1 n LYS 243 Ca -0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3hg1 n LYS 243 Cb 0.63 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.66 3hg1 n LYS 243 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3hg1 s TRP 244 N -2.00 -0.33 -0.16 5.64 1.48 -1.26 -2.24 118.94 120.07 3hg1 s TRP 244 Ca 0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 56.10 54.98 3hg1 s TRP 244 Cb 0.00 0.64 0.07 0.00 -1.16 0.00 0.00 33.47 33.03 3hg1 s TRP 244 CO 0.00 -1.06 0.19 0.00 -4.06 0.00 0.00 176.95 172.02 3hg1 s ALA 245 N -3.82 -0.17 0.09 2.67 0.00 -1.01 -3.00 121.76 116.53 3hg1 s ALA 245 Ca 0.07 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3hg1 s ALA 245 Cb -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3hg1 s ALA 245 CO -0.01 -0.98 0.23 0.00 0.00 0.00 0.00 175.76 174.99 3hg1 s ALA 246 N 2.30 3.97 0.25 0.00 0.00 -0.93 -2.91 121.76 124.44 3hg1 s ALA 246 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3hg1 s ALA 246 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3hg1 s ALA 246 CO -0.10 0.72 0.12 0.54 0.00 0.00 0.00 175.76 177.05 3hg1 s VAL 247 N -1.59 0.33 -0.11 0.00 0.11 -1.00 0.15 120.40 118.28 3hg1 s VAL 247 Ca 0.35 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.42 3hg1 s VAL 247 Cb -0.12 -2.57 -0.00 0.00 -1.53 0.00 0.00 36.38 32.16 3hg1 s VAL 247 CO 0.28 0.00 -0.21 0.54 -3.33 0.00 0.00 175.10 172.37 3hg1 s VAL 248 N -3.86 2.27 0.22 2.04 0.11 -1.11 -2.46 120.40 117.61 3hg1 s VAL 248 Ca 0.38 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3hg1 s VAL 248 Cb 0.07 -1.89 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 3hg1 s VAL 248 CO 0.14 0.55 0.11 0.68 -3.33 0.00 0.00 175.10 173.25 3hg1 s VAL 249 N 0.41 0.28 -0.32 2.04 -7.23 0.15 -4.93 120.40 110.80 3hg1 s VAL 249 Ca -0.16 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.82 3hg1 s VAL 249 Cb -0.17 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3hg1 s VAL 249 CO 0.07 -0.04 0.63 -2.16 -0.31 0.00 0.00 175.10 173.29 3hg1 s PRO 250 N -4.09 3.84 0.00 4.82 0.04 -1.26 0.46 135.00 138.81 3hg1 s PRO 250 Ca 0.37 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3hg1 s PRO 250 Cb 0.07 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.87 3hg1 s PRO 250 CO 0.12 -0.61 0.00 0.45 0.04 0.00 0.00 177.00 177.00 3hg1 n SER 251 N 5.92 0.00 0.00 6.66 2.88 1.18 -1.81 113.62 128.45 3hg1 n SER 251 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3hg1 n SER 251 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3hg1 n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hg1 n GLY 252 N 0.00 1.28 0.00 0.46 0.00 -1.26 -4.20 105.19 101.47 3hg1 n GLY 252 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3hg1 n GLY 252 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hg1 n GLN 253 N 0.00 0.00 -0.06 1.61 -0.06 -0.75 -0.14 117.38 117.99 3hg1 n GLN 253 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 3hg1 n GLN 253 Cb 0.00 -1.15 -0.13 0.00 -4.06 0.00 0.00 30.24 24.90 3hg1 n GLN 253 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 3hg1 h GLU 254 N 0.00 0.04 -1.32 3.69 4.11 -1.70 -3.34 114.58 116.06 3hg1 h GLU 254 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3hg1 h GLU 254 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hg1 h GLU 254 CO 0.00 1.04 0.00 0.94 0.07 0.00 0.00 179.01 181.06 3hg1 n GLN 255 N -4.51 0.04 -0.07 1.06 7.27 0.81 -1.45 117.38 120.53 3hg1 n GLN 255 Ca -0.14 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.03 3hg1 n GLN 255 Cb 0.56 -1.33 0.13 0.00 2.41 0.00 0.00 30.24 32.01 3hg1 n GLN 255 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hg1 n ARG 256 N 0.81 1.45 -4.51 3.69 1.74 -1.25 -4.91 116.66 113.68 3hg1 n ARG 256 Ca 0.00 -2.48 -0.24 0.00 -0.77 0.00 0.00 57.85 54.36 3hg1 n ARG 256 Cb 0.02 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 29.91 3hg1 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hg1 s TYR 257 N -2.70 1.89 0.00 -1.55 1.51 -0.52 -4.39 117.35 111.59 3hg1 s TYR 257 Ca 0.29 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 3hg1 s TYR 257 Cb 0.25 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3hg1 s TYR 257 CO 0.03 -0.09 0.00 -2.37 -1.11 0.00 0.00 175.55 172.01 3hg1 n THR 258 N -0.84 0.00 -3.60 -0.71 5.66 -1.19 -4.42 114.28 109.19 3hg1 n THR 258 Ca -0.05 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.60 3hg1 n THR 258 Cb 0.66 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.39 3hg1 n THR 258 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hg1 s HIS 260 N -1.38 3.11 -0.01 0.00 3.76 0.30 -3.13 115.29 117.94 3hg1 s HIS 260 Ca 0.32 -0.93 -0.22 0.00 -0.15 0.00 0.00 55.06 54.08 3hg1 s HIS 260 Cb -0.14 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.28 3hg1 s HIS 260 CO 0.18 -0.55 0.66 0.08 -0.85 0.00 0.00 174.74 174.26 3hg1 s VAL 261 N 1.50 4.90 -0.07 -0.90 1.01 0.31 -2.42 120.40 124.73 3hg1 s VAL 261 Ca 0.03 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3hg1 s VAL 261 Cb -0.16 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3hg1 s VAL 261 CO 0.01 0.36 -0.14 -1.10 0.00 0.00 0.00 175.10 174.24 3hg1 s GLN 262 N 0.08 1.93 -0.29 2.72 -0.21 0.03 -2.21 119.66 121.71 3hg1 s GLN 262 Ca 0.34 -0.49 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 3hg1 s GLN 262 Cb -0.19 -1.56 0.13 0.00 1.00 0.00 0.00 33.01 32.39 3hg1 s GLN 262 CO 0.19 0.05 0.93 -1.58 -2.12 0.00 0.00 175.29 172.75 3hg1 s HIS 263 N 0.63 -0.65 0.41 0.91 2.46 -1.26 -2.40 115.29 115.38 3hg1 s HIS 263 Ca -0.15 1.33 0.22 0.00 0.47 0.00 0.00 55.06 56.94 3hg1 s HIS 263 Cb -0.16 0.40 1.21 0.00 -0.13 0.00 0.00 32.58 33.90 3hg1 s HIS 263 CO 0.04 -0.32 1.72 1.05 -2.47 0.00 0.00 174.74 174.77 3hg1 h GLU 264 N 5.97 0.28 0.00 2.88 4.11 -1.94 1.22 114.58 127.10 3hg1 h GLU 264 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3hg1 h GLU 264 Cb 1.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3hg1 h GLU 264 CO 0.18 0.19 0.04 0.78 0.07 0.00 0.00 179.01 180.26 3hg1 h GLY 265 N 0.29 0.00 -6.98 1.06 0.00 -1.86 -3.39 103.07 92.19 3hg1 h GLY 265 Ca 0.67 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 47.36 3hg1 h GLY 265 CO -0.34 0.00 0.04 1.08 0.00 0.00 0.00 176.54 177.32 3hg1 s LEU 266 N -5.66 4.26 0.09 3.11 1.43 0.42 -4.75 118.68 117.58 3hg1 s LEU 266 Ca -0.04 0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 3hg1 s LEU 266 Cb 0.11 -2.68 -0.15 0.00 0.03 0.00 0.00 46.19 43.49 3hg1 s LEU 266 CO 0.34 -0.50 1.74 -0.65 0.23 0.00 0.00 176.35 177.51 3hg1 h PRO 267 N 8.39 -0.03 -5.12 1.29 0.11 -1.83 -3.40 132.00 131.41 3hg1 h PRO 267 Ca -0.27 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.18 3hg1 h PRO 267 Cb 1.12 0.01 -0.29 0.00 0.11 0.00 0.00 31.00 31.94 3hg1 h PRO 267 CO 0.79 -0.02 -0.77 0.15 -0.21 0.00 0.00 178.00 177.94 3hg1 s LYS 268 N -6.19 3.27 0.17 1.05 -0.14 -1.26 -5.09 119.74 111.55 3hg1 s LYS 268 Ca -0.13 -0.70 -0.34 0.00 -1.36 0.00 0.00 55.97 53.44 3hg1 s LYS 268 Cb 0.06 -2.76 -0.14 0.00 -1.68 0.00 0.00 37.83 33.31 3hg1 s LYS 268 CO 0.66 -0.06 1.57 -2.30 -0.76 0.00 0.00 175.35 174.45 3hg1 n PRO 269 N 4.32 2.15 -2.96 -1.68 -0.02 -1.26 -4.97 135.00 130.58 3hg1 n PRO 269 Ca -0.19 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3hg1 n PRO 269 Cb 0.51 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 3hg1 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hg1 s LEU 270 N 0.84 3.96 -0.40 2.45 1.43 -0.94 -4.92 118.68 121.10 3hg1 s LEU 270 Ca 0.78 1.39 0.10 0.00 -1.03 0.00 0.00 54.13 55.37 3hg1 s LEU 270 Cb -0.67 -4.23 0.33 0.00 0.03 0.00 0.00 46.19 41.64 3hg1 s LEU 270 CO 0.39 -0.30 0.70 0.35 0.23 0.00 0.00 176.35 177.71 3hg1 n THR 271 N -0.67 0.03 -1.62 5.49 -2.24 -1.26 -0.53 114.28 113.47 3hg1 n THR 271 Ca 0.05 -4.56 -0.37 0.00 -2.27 0.00 0.00 64.05 56.90 3hg1 n THR 271 Cb 0.54 -0.76 0.08 0.00 -2.10 0.00 0.00 70.33 68.09 3hg1 n THR 271 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3hg1 n LEU 272 N 0.50 5.50 -4.27 3.22 0.00 -1.18 -4.85 117.00 115.91 3hg1 n LEU 272 Ca 0.25 0.79 -0.19 0.00 0.00 0.00 0.00 56.01 56.85 3hg1 n LEU 272 Cb 0.61 -1.53 -0.08 0.00 0.00 0.00 0.00 43.42 42.42 3hg1 n LEU 272 CO 0.22 -1.22 -0.09 0.00 0.00 0.00 0.00 177.39 176.29 3hg1 s ARG 273 N -3.40 1.78 0.09 1.96 1.70 -1.26 -3.14 118.95 116.68 3hg1 s ARG 273 Ca 0.81 -2.01 -0.09 0.00 -0.47 0.00 0.00 55.73 53.96 3hg1 s ARG 273 Cb -0.37 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.29 3hg1 s ARG 273 CO 0.43 -0.67 0.39 -0.46 -1.08 0.00 0.00 175.30 173.91 3hg1 s TRP 274 N -3.40 3.56 -0.35 5.89 -0.11 -1.26 -4.96 118.94 118.31 3hg1 s TRP 274 Ca 0.40 0.74 0.06 0.00 1.22 0.00 0.00 56.10 58.53 3hg1 s TRP 274 Cb 0.02 -2.13 0.18 0.00 -1.50 0.00 0.00 33.47 30.05 3hg1 s TRP 274 CO 0.28 0.50 0.57 -2.00 -4.62 0.00 0.00 176.95 171.68 3hg1 s GLU 275 N -2.05 0.66 0.00 5.86 2.56 -1.26 -4.89 118.70 119.57 3hg1 s GLU 275 Ca 0.34 0.04 0.29 0.00 0.00 0.00 0.00 54.97 55.64 3hg1 s GLU 275 Cb -0.13 0.04 1.16 0.00 2.00 0.00 0.00 34.13 37.20 3hg1 s GLU 275 CO 0.19 -1.12 1.81 -0.35 -0.56 0.00 0.00 175.26 175.23