#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae s SER 2 N 0.00 1.55 0.14 1.61 0.01 -1.26 -4.34 113.70 111.40 3hae s SER 2 Ca 0.00 1.50 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 3hae s SER 2 Cb 0.00 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 64.00 3hae s SER 2 CO 0.00 -3.85 0.28 -1.00 0.41 0.00 0.00 173.24 169.09 3hae s HIS 3 N -2.60 0.24 0.15 2.43 3.76 -0.96 -4.96 115.29 113.35 3hae s HIS 3 Ca 0.67 -0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 54.86 3hae s HIS 3 Cb -0.23 0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.46 3hae s HIS 3 CO 0.62 -0.68 0.29 -1.54 -0.85 0.00 0.00 174.74 172.58 3hae s SER 4 N -2.92 0.01 -0.02 1.40 1.04 -1.26 -0.91 113.70 111.04 3hae s SER 4 Ca 0.12 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3hae s SER 4 Cb 0.03 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3hae s SER 4 CO -0.04 -0.87 -0.00 -0.32 0.98 0.00 0.00 173.24 172.99 3hae s MET 5 N -3.92 0.25 0.00 4.02 -2.45 -0.73 -1.34 119.30 115.13 3hae s MET 5 Ca 0.12 0.05 0.01 0.00 -1.25 0.00 0.00 55.69 54.63 3hae s MET 5 Cb 0.03 -0.40 -0.00 0.00 1.25 0.00 0.00 34.83 35.71 3hae s MET 5 CO -0.04 -0.10 -0.04 1.03 1.05 0.00 0.00 175.02 176.92 3hae s ARG 6 N 0.79 0.34 -0.05 4.11 1.81 -0.68 -1.70 118.95 123.57 3hae s ARG 6 Ca -0.08 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 53.76 3hae s ARG 6 Cb -0.11 -0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.06 3hae s ARG 6 CO -0.01 0.08 -0.12 0.71 -0.68 0.00 0.00 175.30 175.27 3hae s TYR 7 N -0.22 2.77 -0.12 -0.53 2.02 0.21 -0.55 117.35 120.94 3hae s TYR 7 Ca 0.00 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 3hae s TYR 7 Cb -0.02 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3hae s TYR 7 CO -0.00 0.23 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.94 3hae s PHE 8 N -0.76 2.49 -0.01 2.71 0.40 0.54 -2.18 117.98 121.17 3hae s PHE 8 Ca 0.12 -1.18 0.08 0.00 -0.60 0.00 0.00 56.93 55.34 3hae s PHE 8 Cb -0.11 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 3hae s PHE 8 CO 0.01 -0.53 -0.24 -0.06 0.70 0.00 0.00 175.22 175.09 3hae s PHE 9 N 0.72 2.15 -0.04 0.36 0.40 0.34 -0.89 117.98 121.02 3hae s PHE 9 Ca -0.10 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3hae s PHE 9 Cb -0.16 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.03 3hae s PHE 9 CO 0.01 -0.01 -0.03 0.99 0.70 0.00 0.00 175.22 176.88 3hae s THR 10 N -0.61 0.43 -0.06 0.64 2.01 0.64 -1.31 115.64 117.38 3hae s THR 10 Ca 0.09 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.07 3hae s THR 10 Cb -0.09 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 3hae s THR 10 CO -0.00 0.19 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.46 3hae s SER 11 N 0.84 2.77 -0.11 3.53 0.01 -0.12 -1.30 113.70 119.32 3hae s SER 11 Ca -0.10 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 3hae s SER 11 Cb -0.13 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.31 3hae s SER 11 CO -0.00 0.21 -0.09 -0.69 0.41 0.00 0.00 173.24 173.08 3hae s VAL 12 N -0.06 1.09 0.38 3.43 1.01 -0.88 -0.91 120.40 124.45 3hae s VAL 12 Ca -0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 3hae s VAL 12 Cb -0.13 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 3hae s VAL 12 CO 0.04 0.38 0.94 -0.94 0.00 0.00 0.00 175.10 175.51 3hae s SER 13 N 1.60 7.10 -0.43 3.32 1.04 -0.31 -1.81 113.70 124.21 3hae s SER 13 Ca 0.03 1.73 0.04 0.00 0.48 0.00 0.00 55.95 58.23 3hae s SER 13 Cb -0.13 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.61 3hae s SER 13 CO -0.07 -0.22 0.34 0.00 0.98 0.00 0.00 173.24 174.26 3hae s ARG 14 N -2.68 1.02 0.28 4.02 1.70 -1.26 -4.11 118.95 117.92 3hae s ARG 14 Ca 0.56 -2.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.39 3hae s ARG 14 Cb -0.13 -1.61 -0.11 0.00 -0.57 0.00 0.00 34.95 32.52 3hae s ARG 14 CO 0.18 -1.35 1.59 -2.14 -1.08 0.00 0.00 175.30 172.49 3hae s PRO 15 N 0.04 4.14 0.00 3.89 0.02 -1.26 -2.17 135.00 139.66 3hae s PRO 15 Ca 0.30 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3hae s PRO 15 Cb -0.01 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3hae s PRO 15 CO -0.17 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3hae n GLY 16 N 2.34 3.05 3.98 0.52 0.00 -1.26 -5.01 105.19 108.81 3hae n GLY 16 Ca 0.09 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3hae n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hae s ARG 17 N 0.00 2.78 0.00 1.61 3.52 -0.92 -5.11 118.95 120.83 3hae s ARG 17 Ca 0.00 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 3hae s ARG 17 Cb 0.00 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 3hae s ARG 17 CO 0.00 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 3hae n GLY 18 N -2.11 0.00 3.95 8.12 0.00 -1.26 -4.77 105.19 109.12 3hae n GLY 18 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3hae n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hae s GLU 19 N 0.00 3.10 0.35 1.61 2.02 -1.26 -4.75 118.70 119.77 3hae s GLU 19 Ca 0.00 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 3hae s GLU 19 Cb 0.00 -2.55 -0.13 0.00 0.10 0.00 0.00 34.13 31.55 3hae s GLU 19 CO 0.00 -0.26 0.93 -0.35 0.02 0.00 0.00 175.26 175.60 3hae n PRO 20 N -2.08 1.21 -2.56 0.39 -0.04 -1.26 -4.69 135.00 125.96 3hae n PRO 20 Ca 0.01 0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 3hae n PRO 20 Cb 0.57 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 3hae n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3hae s ARG 21 N -1.71 4.45 -0.13 0.54 6.06 -0.75 -4.85 118.95 122.56 3hae s ARG 21 Ca 0.61 1.58 0.02 0.00 -2.50 0.00 0.00 55.73 55.44 3hae s ARG 21 Cb -0.64 -3.46 -0.00 0.00 0.06 0.00 0.00 34.95 30.91 3hae s ARG 21 CO 0.58 -0.24 -0.19 0.12 -2.50 0.00 0.00 175.30 173.07 3hae s PHE 22 N 1.44 2.69 -0.07 5.12 5.36 -1.26 -2.08 117.98 129.19 3hae s PHE 22 Ca 0.54 -1.01 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 3hae s PHE 22 Cb -0.24 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 3hae s PHE 22 CO 0.26 -0.42 -0.10 0.42 -1.46 0.00 0.00 175.22 173.91 3hae s ILE 23 N 0.55 1.02 0.02 3.12 1.01 -0.42 -0.50 121.20 126.00 3hae s ILE 23 Ca -0.12 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3hae s ILE 23 Cb -0.16 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3hae s ILE 23 CO 0.04 0.34 -0.12 0.00 0.00 0.00 0.00 174.94 175.20 3hae s ALA 24 N 0.87 0.96 -0.02 9.38 0.00 0.21 -0.26 121.76 132.89 3hae s ALA 24 Ca -0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3hae s ALA 24 Cb -0.15 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hae s ALA 24 CO 0.01 0.19 0.18 0.14 0.00 0.00 0.00 175.76 176.28 3hae s VAL 25 N -0.64 0.05 -0.04 0.00 -7.23 -0.07 -1.24 120.40 111.23 3hae s VAL 25 Ca 0.01 -0.44 0.05 0.00 -1.81 0.00 0.00 61.98 59.80 3hae s VAL 25 Cb -0.06 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 3hae s VAL 25 CO 0.00 -0.24 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.53 3hae s GLY 26 N -0.89 1.42 0.17 2.32 0.00 -0.95 -0.34 107.32 109.05 3hae s GLY 26 Ca -0.10 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.67 3hae s GLY 26 CO 0.01 -0.83 -0.19 -0.19 0.00 0.00 0.00 173.10 171.90 3hae s TYR 27 N -0.67 1.89 -0.14 1.90 1.51 0.29 -0.58 117.35 121.56 3hae s TYR 27 Ca 0.11 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3hae s TYR 27 Cb -0.10 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3hae s TYR 27 CO -0.00 0.36 -0.18 0.08 -1.11 0.00 0.00 175.55 174.70 3hae s VAL 28 N -2.00 1.76 0.00 0.71 1.01 -0.55 -1.69 120.40 119.65 3hae s VAL 28 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3hae s VAL 28 Cb -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hae s VAL 28 CO 0.07 0.49 0.00 0.47 0.00 0.00 0.00 175.10 176.13 3hae n ASP 29 N 4.36 0.00 -1.79 3.32 8.00 -0.45 -1.14 116.55 128.86 3hae n ASP 29 Ca -0.19 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.14 3hae n ASP 29 Cb 0.51 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.79 3hae n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hae n ASP 30 N 2.38 3.46 -4.17 -2.24 8.00 -1.26 -4.88 116.55 117.84 3hae n ASP 30 Ca 0.00 -3.71 -0.34 0.00 0.71 0.00 0.00 54.79 51.46 3hae n ASP 30 Cb 0.00 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 3hae n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hae s THR 31 N -3.40 2.57 0.33 -3.53 2.01 -0.29 -5.00 115.64 108.32 3hae s THR 31 Ca 0.52 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 3hae s THR 31 Cb 0.45 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 3hae s THR 31 CO 0.05 0.31 1.16 -1.58 -0.69 0.00 0.00 174.62 173.87 3hae s GLN 32 N 1.30 4.41 0.00 4.92 0.74 -1.26 -1.48 119.66 128.29 3hae s GLN 32 Ca 0.01 1.89 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3hae s GLN 32 Cb -0.16 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3hae s GLN 32 CO -0.07 -0.03 0.00 1.97 -0.55 0.00 0.00 175.29 176.61 3hae n PHE 33 N 0.76 0.00 -4.32 1.67 -1.74 0.26 -4.31 117.46 109.78 3hae n PHE 33 Ca 0.01 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.73 3hae n PHE 33 Cb 0.45 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 3hae n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3hae s VAL 34 N -0.74 1.29 0.18 1.97 -7.23 -1.23 0.81 120.40 115.45 3hae s VAL 34 Ca 0.00 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 3hae s VAL 34 Cb 0.00 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.80 3hae s VAL 34 CO 0.00 -0.51 0.40 0.00 -0.31 0.00 0.00 175.10 174.68 3hae s ARG 35 N -3.77 1.27 -0.24 4.82 1.70 -0.78 -2.24 118.95 119.72 3hae s ARG 35 Ca 0.24 -1.04 -0.18 0.00 -0.47 0.00 0.00 55.73 54.27 3hae s ARG 35 Cb 0.03 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 3hae s ARG 35 CO 0.06 -0.50 0.62 0.12 -1.08 0.00 0.00 175.30 174.52 3hae s PHE 36 N -3.93 -0.81 -0.16 5.89 5.36 -0.38 -1.11 117.98 122.84 3hae s PHE 36 Ca 0.14 1.80 -0.03 0.00 -0.96 0.00 0.00 56.93 57.88 3hae s PHE 36 Cb 0.01 0.38 0.05 0.00 -0.34 0.00 0.00 43.02 43.12 3hae s PHE 36 CO -0.01 -0.40 0.03 0.34 -1.46 0.00 0.00 175.22 173.71 3hae s ASP 37 N 0.93 2.53 0.52 6.13 -1.08 -1.26 -0.62 116.67 123.83 3hae s ASP 37 Ca -0.05 -0.62 0.37 0.00 -0.52 0.00 0.00 52.55 51.74 3hae s ASP 37 Cb -0.05 -0.54 1.53 0.00 -1.46 0.00 0.00 42.92 42.40 3hae s ASP 37 CO -0.08 -0.28 1.75 0.77 0.52 0.00 0.00 175.17 177.85 3hae h SER 38 N 8.27 0.06 0.92 -0.34 4.64 -1.18 -0.24 113.55 125.68 3hae h SER 38 Ca -0.17 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hae h SER 38 Cb 1.12 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3hae h SER 38 CO 0.32 -0.00 -0.17 0.47 -0.87 0.00 0.00 176.83 176.58 3hae n ASP 39 N -4.21 0.27 -4.87 4.97 9.92 -1.26 -4.90 116.55 116.46 3hae n ASP 39 Ca 0.30 0.29 -0.30 0.00 -0.53 0.00 0.00 54.79 54.55 3hae n ASP 39 Cb 1.36 -0.30 0.05 0.00 -0.64 0.00 0.00 41.12 41.58 3hae n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hae s ALA 40 N -3.02 2.84 0.21 2.24 0.00 -0.10 -4.99 121.76 118.94 3hae s ALA 40 Ca 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3hae s ALA 40 Cb 0.17 -3.04 0.17 0.00 0.00 0.00 0.00 23.12 20.43 3hae s ALA 40 CO 0.59 -1.17 1.61 0.00 0.00 0.00 0.00 175.76 176.79 3hae h ALA 41 N -0.68 0.85 0.00 0.00 0.00 -1.90 -3.34 119.26 114.18 3hae h ALA 41 Ca -0.45 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 3hae h ALA 41 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hae h ALA 41 CO 0.63 0.64 -0.59 0.66 0.00 0.00 0.00 179.25 180.59 3hae h SER 42 N 0.66 0.00 -2.16 0.00 4.64 -1.94 -3.47 113.55 111.29 3hae h SER 42 Ca 0.09 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.13 3hae h SER 42 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3hae h SER 42 CO 0.06 0.43 -0.36 1.67 -0.87 0.00 0.00 176.83 177.76 3hae n GLN 43 N -3.14 -1.45 -4.14 4.77 -0.06 -1.25 -4.97 117.38 107.13 3hae n GLN 43 Ca 0.01 0.66 -0.16 0.00 -2.00 0.00 0.00 57.00 55.50 3hae n GLN 43 Cb 0.72 -4.93 -0.12 0.00 -4.06 0.00 0.00 30.24 21.85 3hae n GLN 43 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3hae s ARG 44 N -4.79 0.72 0.02 3.69 0.52 -1.26 -5.04 118.95 112.80 3hae s ARG 44 Ca 0.03 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 3hae s ARG 44 Cb -0.01 -0.64 -0.06 0.00 0.52 0.00 0.00 34.95 34.76 3hae s ARG 44 CO 0.04 0.14 1.45 1.41 0.02 0.00 0.00 175.30 178.35 3hae s MET 45 N -1.64 4.27 -0.03 3.54 -2.45 -1.26 -4.67 119.30 117.05 3hae s MET 45 Ca -0.05 2.03 0.03 0.00 -1.25 0.00 0.00 55.69 56.46 3hae s MET 45 Cb -0.10 -3.57 -0.03 0.00 1.25 0.00 0.00 34.83 32.38 3hae s MET 45 CO 0.02 -0.60 -0.09 -1.21 1.05 0.00 0.00 175.02 174.18 3hae s GLU 46 N 2.40 2.57 0.67 4.11 2.02 -0.27 -4.89 118.70 125.31 3hae s GLU 46 Ca 0.66 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.82 3hae s GLU 46 Cb -0.33 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3hae s GLU 46 CO 0.28 0.62 1.13 -1.25 0.02 0.00 0.00 175.26 176.06 3hae s PRO 47 N -1.05 2.68 0.00 0.39 0.04 -1.26 -1.87 135.00 133.93 3hae s PRO 47 Ca 0.14 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3hae s PRO 47 Cb -0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3hae s PRO 47 CO 0.04 -1.36 0.25 0.54 0.04 0.00 0.00 177.00 176.50 3hae n ARG 48 N -2.46 0.00 -3.91 4.56 5.12 0.24 -4.81 116.66 115.40 3hae n ARG 48 Ca 0.11 -0.25 -0.11 0.00 -1.93 0.00 0.00 57.85 55.68 3hae n ARG 48 Cb 0.52 -0.43 -0.12 0.00 -1.16 0.00 0.00 32.46 31.27 3hae n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hae s ALA 49 N 0.00 -0.08 0.19 7.54 0.00 -1.23 -4.65 121.76 123.53 3hae s ALA 49 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 3hae s ALA 49 Cb 0.00 0.06 0.12 0.00 0.00 0.00 0.00 23.12 23.30 3hae s ALA 49 CO 0.00 -0.13 1.85 -1.35 0.00 0.00 0.00 175.76 176.13 3hae h PRO 50 N 5.02 0.81 0.00 0.00 0.11 -1.96 -2.72 132.00 133.26 3hae h PRO 50 Ca -0.29 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hae h PRO 50 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hae h PRO 50 CO 0.43 0.54 0.00 0.11 -0.21 0.00 0.00 178.00 178.87 3hae h TRP 51 N 0.84 0.00 0.00 0.65 5.08 -1.97 0.72 115.95 121.27 3hae h TRP 51 Ca 0.24 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.11 3hae h TRP 51 Cb -0.07 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.07 3hae h TRP 51 CO -0.03 0.00 -1.04 0.97 -1.28 0.00 0.00 178.44 177.06 3hae h ILE 52 N 0.00 0.38 -0.91 0.12 6.09 -1.84 -3.33 117.51 118.03 3hae h ILE 52 Ca 0.00 -1.68 0.22 0.00 -1.37 0.00 0.00 64.86 62.04 3hae h ILE 52 Cb 0.08 1.95 -0.06 0.00 0.47 0.00 0.00 36.82 39.26 3hae h ILE 52 CO 0.00 0.22 0.61 -0.08 -3.07 0.00 0.00 178.15 175.83 3hae h GLU 53 N 0.00 0.28 -0.50 2.19 4.81 -0.92 -0.64 114.58 119.80 3hae h GLU 53 Ca -0.08 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3hae h GLU 53 Cb 1.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3hae h GLU 53 CO 0.03 0.18 0.48 1.96 -0.73 0.00 0.00 179.01 180.94 3hae h GLN 54 N 0.28 0.00 -7.00 1.92 7.50 -1.69 -3.44 115.11 112.68 3hae h GLN 54 Ca 0.47 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 59.09 3hae h GLN 54 Cb 1.35 0.00 0.09 0.00 0.05 0.00 0.00 27.48 28.97 3hae h GLN 54 CO -0.14 0.00 0.56 -1.21 -1.50 0.00 0.00 178.83 176.54 3hae s GLU 55 N -4.69 3.63 0.93 1.46 0.41 -0.25 -4.98 118.70 115.20 3hae s GLU 55 Ca -0.04 2.01 -0.14 0.00 -0.41 0.00 0.00 54.97 56.39 3hae s GLU 55 Cb 0.17 -2.46 0.15 0.00 -1.78 0.00 0.00 34.13 30.21 3hae s GLU 55 CO 0.59 -0.72 1.18 0.20 -0.49 0.00 0.00 175.26 176.01 3hae s GLY 56 N -1.07 1.62 0.53 -1.39 0.00 -1.26 -4.84 107.32 100.90 3hae s GLY 56 Ca 0.64 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.88 3hae s GLY 56 CO 0.42 -0.10 2.02 -0.56 0.00 0.00 0.00 173.10 174.88 3hae h PRO 57 N -1.53 0.00 0.36 2.90 0.13 -1.98 -2.40 132.00 129.48 3hae h PRO 57 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hae h PRO 57 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 3hae h PRO 57 CO 0.56 0.00 -0.37 0.93 -0.23 0.00 0.00 178.00 178.89 3hae h GLU 58 N 0.00 -0.73 -0.58 0.86 3.07 -1.99 -0.44 114.58 114.78 3hae h GLU 58 Ca 0.21 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 3hae h GLU 58 Cb 0.83 0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 28.83 3hae h GLU 58 CO -0.00 -0.49 -0.41 -0.92 -1.40 0.00 0.00 179.01 175.79 3hae h TYR 59 N -0.76 -1.31 -0.37 4.33 3.20 -1.78 0.46 116.97 120.75 3hae h TYR 59 Ca -0.02 0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3hae h TYR 59 Cb 0.68 0.65 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 3hae h TYR 59 CO -0.22 -0.29 0.15 -1.49 -1.64 0.00 0.00 178.16 174.68 3hae h TRP 60 N -0.09 0.28 -0.46 -3.82 4.06 -1.49 0.33 115.95 114.75 3hae h TRP 60 Ca 0.09 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.14 3hae h TRP 60 Cb 0.34 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.36 3hae h TRP 60 CO -0.90 0.13 0.09 -0.44 -3.56 0.00 0.00 178.44 173.76 3hae h ASP 61 N 0.32 0.01 -0.20 -3.49 3.32 -0.52 0.10 116.42 115.96 3hae h ASP 61 Ca 0.16 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3hae h ASP 61 Cb 0.11 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3hae h ASP 61 CO -0.14 0.04 -0.28 1.23 -1.72 0.00 0.00 179.24 178.37 3hae h GLY 62 N 0.23 0.60 1.17 2.75 0.00 0.68 -1.34 103.07 107.15 3hae h GLY 62 Ca 0.23 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3hae h GLY 62 CO -0.30 0.59 -0.14 0.83 0.00 0.00 0.00 176.54 177.53 3hae h GLU 63 N 0.22 0.96 -0.41 4.80 4.39 -0.24 0.15 114.58 124.46 3hae h GLU 63 Ca 0.02 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.37 3hae h GLU 63 Cb 0.85 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3hae h GLU 63 CO 0.07 1.03 0.26 1.15 -1.16 0.00 0.00 179.01 180.35 3hae h THR 64 N 0.85 1.08 -0.65 1.13 2.02 -0.55 0.11 112.91 116.91 3hae h THR 64 Ca 0.13 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3hae h THR 64 Cb 0.69 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3hae h THR 64 CO 0.05 0.10 0.42 0.03 0.37 0.00 0.00 175.52 176.49 3hae h ARG 65 N 0.52 0.82 -0.49 6.66 3.08 -0.90 -1.65 114.38 122.42 3hae h ARG 65 Ca 0.15 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3hae h ARG 65 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3hae h ARG 65 CO -0.05 0.54 -0.05 0.87 -1.07 0.00 0.00 179.97 180.21 3hae h LYS 66 N 0.84 0.90 -0.21 0.04 1.57 -0.28 -2.00 116.57 117.44 3hae h LYS 66 Ca 0.25 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3hae h LYS 66 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3hae h LYS 66 CO -0.07 0.96 -0.37 -0.24 -0.57 0.00 0.00 179.45 179.16 3hae h VAL 67 N 0.76 1.29 -0.73 0.50 3.04 -0.68 -0.27 116.25 120.16 3hae h VAL 67 Ca 0.13 -1.48 -0.06 0.00 -1.01 0.00 0.00 66.70 64.28 3hae h VAL 67 Cb 0.59 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.38 3hae h VAL 67 CO 0.04 0.46 0.22 0.11 -1.01 0.00 0.00 177.57 177.38 3hae h LYS 68 N 0.38 1.14 -0.16 4.17 1.57 -0.92 -1.92 116.57 120.83 3hae h LYS 68 Ca 0.04 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3hae h LYS 68 Cb 0.82 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3hae h LYS 68 CO 0.07 0.98 -0.40 0.00 -0.57 0.00 0.00 179.45 179.52 3hae h ALA 69 N 1.14 1.01 0.12 3.86 0.00 -0.53 -0.74 119.26 124.11 3hae h ALA 69 Ca 0.23 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hae h ALA 69 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hae h ALA 69 CO -0.01 0.61 -0.27 0.45 0.00 0.00 0.00 179.25 180.04 3hae h HIS 70 N 0.31 -0.72 -0.58 0.00 3.86 -0.70 -0.74 115.15 116.58 3hae h HIS 70 Ca 0.03 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.35 3hae h HIS 70 Cb 0.84 0.30 -0.11 0.00 1.06 0.00 0.00 27.41 29.50 3hae h HIS 70 CO 0.02 -0.37 -0.39 1.03 0.86 0.00 0.00 177.93 179.08 3hae h SER 71 N -0.48 -1.33 0.64 2.45 0.87 -0.53 0.60 113.55 115.76 3hae h SER 71 Ca 0.03 0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3hae h SER 71 Cb 0.51 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 3hae h SER 71 CO -0.15 -0.32 -0.22 1.56 -0.53 0.00 0.00 176.83 177.16 3hae h GLN 72 N -0.20 0.00 0.13 2.24 4.20 -0.89 -1.26 115.11 119.34 3hae h GLN 72 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3hae h GLN 72 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3hae h GLN 72 CO -0.68 0.22 -0.06 1.15 -0.67 0.00 0.00 178.83 178.79 3hae h THR 73 N 0.00 1.03 -1.03 -0.54 2.02 0.58 -2.63 112.91 112.35 3hae h THR 73 Ca -0.00 -1.01 0.26 0.00 0.77 0.00 0.00 66.41 66.43 3hae h THR 73 Cb 0.60 1.63 -0.12 0.00 -1.74 0.00 0.00 68.15 68.53 3hae h THR 73 CO 0.03 0.23 0.63 0.45 0.37 0.00 0.00 175.52 177.23 3hae h HIS 74 N -0.69 0.87 -0.70 3.16 3.86 -0.67 0.19 115.15 121.17 3hae h HIS 74 Ca -0.02 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3hae h HIS 74 Cb 0.51 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 3hae h HIS 74 CO 0.08 0.04 0.20 -0.09 0.86 0.00 0.00 177.93 179.02 3hae h ARG 75 N 0.49 1.10 -0.32 2.45 2.43 -1.12 0.15 114.38 119.56 3hae h ARG 75 Ca 0.64 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3hae h ARG 75 Cb 1.40 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3hae h ARG 75 CO -0.42 0.95 -0.32 0.28 -1.51 0.00 0.00 179.97 178.95 3hae h VAL 76 N 1.04 1.28 -0.18 0.20 2.07 -0.73 -3.27 116.25 116.66 3hae h VAL 76 Ca 0.22 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3hae h VAL 76 Cb 0.32 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3hae h VAL 76 CO -0.00 0.47 0.09 0.44 0.02 0.00 0.00 177.57 178.59 3hae h ASP 77 N 0.58 0.24 -0.65 0.57 3.32 0.58 -0.90 116.42 120.17 3hae h ASP 77 Ca 0.06 -0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.12 3hae h ASP 77 Cb 0.83 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.22 3hae h ASP 77 CO 0.07 0.30 0.07 -0.07 -1.72 0.00 0.00 179.24 177.89 3hae h LEU 78 N 0.17 -0.15 -0.05 1.55 3.38 -0.80 0.97 115.31 120.38 3hae h LEU 78 Ca 0.06 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hae h LEU 78 Cb 0.12 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hae h LEU 78 CO -0.01 -0.07 0.02 1.23 0.09 0.00 0.00 178.44 179.70 3hae h GLY 79 N 0.18 0.07 1.15 0.83 0.00 -1.47 -1.26 103.07 102.58 3hae h GLY 79 Ca 0.35 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.71 3hae h GLY 79 CO -0.50 0.04 0.41 -0.84 0.00 0.00 0.00 176.54 175.64 3hae h THR 80 N -0.04 0.99 0.06 4.70 2.02 0.15 -1.75 112.91 119.04 3hae h THR 80 Ca 0.02 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hae h THR 80 Cb 0.12 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3hae h THR 80 CO -0.00 0.11 -0.03 -0.07 0.37 0.00 0.00 175.52 175.89 3hae h LEU 81 N 0.58 -0.07 -0.85 2.58 3.38 -0.54 -1.60 115.31 118.78 3hae h LEU 81 Ca 0.27 -0.56 0.23 0.00 0.09 0.00 0.00 57.88 57.90 3hae h LEU 81 Cb 0.30 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 3hae h LEU 81 CO -0.08 0.60 0.00 -1.14 0.09 0.00 0.00 178.44 177.91 3hae n ARG 82 N -4.80 -0.07 0.40 1.13 0.63 -0.50 -0.51 116.66 112.94 3hae n ARG 82 Ca -0.08 1.28 -0.16 0.00 -0.92 0.00 0.00 57.85 57.97 3hae n ARG 82 Cb 0.31 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.11 3hae n ARG 82 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3hae h GLY 83 N 0.00 -1.14 1.28 5.14 0.00 -1.17 -1.28 103.07 105.90 3hae h GLY 83 Ca 0.51 0.44 0.08 0.00 0.00 0.00 0.00 47.33 48.36 3hae h GLY 83 CO -0.81 -0.40 0.28 -0.97 0.00 0.00 0.00 176.54 174.64 3hae h TYR 84 N -1.04 0.00 -0.38 5.60 0.05 0.22 -0.50 116.97 120.92 3hae h TYR 84 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3hae h TYR 84 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 3hae h TYR 84 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 3hae n TYR 85 N -3.89 1.39 -3.75 4.88 4.01 -0.46 -4.94 117.16 114.39 3hae n TYR 85 Ca 0.04 -0.82 -0.20 0.00 -0.16 0.00 0.00 57.90 56.76 3hae n TYR 85 Cb 0.43 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 3hae n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hae n ASN 86 N -0.07 -1.87 -4.81 7.72 3.02 -0.20 -4.96 115.26 114.09 3hae n ASN 86 Ca 0.24 -0.56 -0.28 0.00 -0.03 0.00 0.00 54.58 53.94 3hae n ASN 86 Cb 1.02 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 3hae n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hae s GLN 87 N -5.63 2.97 0.56 3.52 -0.21 -0.51 -5.05 119.66 115.30 3hae s GLN 87 Ca 0.18 -0.74 -0.15 0.00 0.02 0.00 0.00 55.36 54.67 3hae s GLN 87 Cb -0.10 -2.73 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 3hae s GLN 87 CO 0.43 0.53 1.01 -1.54 -2.12 0.00 0.00 175.29 173.60 3hae s SER 88 N -2.76 6.33 0.31 5.90 1.04 -1.26 -4.73 113.70 118.53 3hae s SER 88 Ca 0.31 1.59 0.22 0.00 0.48 0.00 0.00 55.95 58.54 3hae s SER 88 Cb -0.11 -2.50 1.15 0.00 0.10 0.00 0.00 66.02 64.65 3hae s SER 88 CO 0.23 -0.79 1.67 1.21 0.98 0.00 0.00 173.24 176.54 3hae n GLU 89 N -1.98 0.15 -0.09 4.02 2.13 -1.26 -3.41 120.64 120.20 3hae n GLU 89 Ca 0.07 0.61 -0.12 0.00 0.66 0.00 0.00 57.16 58.38 3hae n GLU 89 Cb 0.54 -1.95 -0.04 0.00 0.27 0.00 0.00 31.44 30.26 3hae n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hae h ALA 90 N 2.04 0.38 -2.40 4.31 0.00 -1.99 -3.44 119.26 118.15 3hae h ALA 90 Ca 0.00 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 54.14 3hae h ALA 90 Cb 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 17.82 3hae h ALA 90 CO 0.00 0.20 0.38 0.20 0.00 0.00 0.00 179.25 180.03 3hae s GLY 91 N -3.32 2.23 0.09 0.00 0.00 -1.22 -4.69 107.32 100.42 3hae s GLY 91 Ca -0.13 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 3hae s GLY 91 CO 0.77 0.84 0.71 -0.45 0.00 0.00 0.00 173.10 174.97 3hae s SER 92 N -2.53 7.22 0.06 1.64 0.15 -1.26 -4.71 113.70 114.27 3hae s SER 92 Ca 0.66 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.79 3hae s SER 92 Cb -0.18 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 3hae s SER 92 CO 0.35 0.16 -0.08 -1.00 1.20 0.00 0.00 173.24 173.87 3hae s HIS 93 N -0.73 0.80 -0.07 3.44 4.02 -1.26 -4.94 115.29 116.55 3hae s HIS 93 Ca 0.34 -0.61 0.04 0.00 1.02 0.00 0.00 55.06 55.85 3hae s HIS 93 Cb -0.21 -0.47 0.00 0.00 -1.02 0.00 0.00 32.58 30.88 3hae s HIS 93 CO 0.23 -0.08 -0.19 0.99 1.02 0.00 0.00 174.74 176.71 3hae s THR 94 N -2.00 1.61 -0.08 1.30 2.01 -1.26 -1.16 115.64 116.06 3hae s THR 94 Ca -0.03 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3hae s THR 94 Cb -0.06 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 3hae s THR 94 CO -0.01 0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 3hae s VAL 95 N 0.28 3.54 -0.01 3.82 1.01 -0.09 -0.90 120.40 128.05 3hae s VAL 95 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3hae s VAL 95 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3hae s VAL 95 CO 0.05 0.57 -0.01 -1.10 0.00 0.00 0.00 175.10 174.62 3hae s GLN 96 N -0.50 0.18 -0.03 2.72 -0.21 -0.63 -0.95 119.66 120.24 3hae s GLN 96 Ca 0.07 0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.49 3hae s GLN 96 Cb -0.12 -0.29 0.01 0.00 1.00 0.00 0.00 33.01 33.61 3hae s GLN 96 CO 0.02 -0.05 -0.05 0.50 -2.12 0.00 0.00 175.29 173.58 3hae s ARG 97 N 0.49 0.71 -0.08 2.91 3.52 -0.43 -0.54 118.95 125.54 3hae s ARG 97 Ca -0.05 -0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 55.35 3hae s ARG 97 Cb -0.07 -0.70 0.04 0.00 -1.56 0.00 0.00 34.95 32.65 3hae s ARG 97 CO -0.01 0.02 0.18 1.41 -0.81 0.00 0.00 175.30 176.08 3hae s MET 98 N 0.45 0.13 0.20 5.12 1.75 -0.63 -0.50 119.30 125.81 3hae s MET 98 Ca -0.06 0.42 -0.08 0.00 -1.25 0.00 0.00 55.69 54.72 3hae s MET 98 Cb -0.10 -0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.40 3hae s MET 98 CO 0.00 -0.17 0.31 1.52 -0.65 0.00 0.00 175.02 176.03 3hae s TYR 99 N 1.20 0.59 -4.35 4.11 -0.85 -0.93 -1.02 117.35 116.10 3hae s TYR 99 Ca -0.09 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 3hae s TYR 99 Cb -0.11 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.12 3hae s TYR 99 CO -0.07 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 3hae n GLY 100 N -0.28 -1.00 3.28 5.49 0.00 -0.88 -0.62 105.19 111.17 3hae n GLY 100 Ca -0.03 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 3hae n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae s ASP 102 N -1.06 4.36 0.23 0.00 1.01 0.40 -1.76 116.67 119.84 3hae s ASP 102 Ca -0.11 -0.33 0.08 0.00 0.71 0.00 0.00 52.55 52.90 3hae s ASP 102 Cb -0.04 -0.87 -0.05 0.00 1.01 0.00 0.00 42.92 42.97 3hae s ASP 102 CO 0.04 0.22 -0.14 0.68 0.21 0.00 0.00 175.17 176.19 3hae s VAL 103 N -1.11 1.83 0.29 -1.27 -7.23 -0.08 -0.54 120.40 112.28 3hae s VAL 103 Ca 0.19 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 3hae s VAL 103 Cb -0.11 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.74 3hae s VAL 103 CO 0.11 -0.51 0.39 0.61 -0.31 0.00 0.00 175.10 175.38 3hae n GLY 104 N -0.45 -0.36 0.30 2.32 0.00 -0.79 -2.27 105.19 103.94 3hae n GLY 104 Ca -0.07 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.30 3hae n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hae h SER 105 N -0.41 0.00 0.10 1.61 0.87 -1.91 0.10 113.55 113.92 3hae h SER 105 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3hae h SER 105 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3hae h SER 105 CO 0.11 0.04 -0.05 -0.90 -0.53 0.00 0.00 176.83 175.50 3hae n ASP 106 N -3.49 0.80 0.00 6.23 5.75 -1.26 -4.80 116.55 119.78 3hae n ASP 106 Ca -0.02 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 3hae n ASP 106 Cb 0.15 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3hae n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3hae n TRP 107 N -0.49 0.00 -2.97 2.11 7.02 0.36 -5.00 117.44 118.46 3hae n TRP 107 Ca 0.19 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.31 3hae n TRP 107 Cb 0.27 -0.81 -0.06 0.00 -2.42 0.00 0.00 31.31 28.29 3hae n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3hae s ARG 108 N -0.80 4.35 0.42 -0.99 3.52 -1.26 -4.76 118.95 119.43 3hae s ARG 108 Ca 0.00 1.03 -0.24 0.00 -0.13 0.00 0.00 55.73 56.39 3hae s ARG 108 Cb 0.00 -2.79 -0.11 0.00 -1.56 0.00 0.00 34.95 30.50 3hae s ARG 108 CO 0.00 0.32 0.92 0.34 -0.81 0.00 0.00 175.30 176.07 3hae n PHE 109 N 0.53 0.85 0.00 5.12 7.35 -1.26 -1.88 117.46 128.16 3hae n PHE 109 Ca 0.00 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 3hae n PHE 109 Cb 0.51 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 38.16 3hae n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3hae n LEU 110 N 0.63 0.01 -3.54 -2.13 7.94 0.29 -4.74 117.00 115.47 3hae n LEU 110 Ca 0.10 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.83 3hae n LEU 110 Cb 0.39 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.28 3hae n LEU 110 CO 0.56 -0.21 0.47 -0.60 -1.11 0.00 0.00 177.39 176.50 3hae s ARG 111 N -2.00 0.99 0.20 1.96 3.52 -1.09 -4.97 118.95 117.57 3hae s ARG 111 Ca 0.00 0.34 0.08 0.00 -0.13 0.00 0.00 55.73 56.02 3hae s ARG 111 Cb 0.00 0.47 -0.05 0.00 -1.56 0.00 0.00 34.95 33.81 3hae s ARG 111 CO 0.00 -0.29 -0.16 0.20 -0.81 0.00 0.00 175.30 174.24 3hae s GLY 112 N -0.98 1.46 -0.02 8.12 0.00 -1.26 -0.46 107.32 114.18 3hae s GLY 112 Ca -0.09 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 3hae s GLY 112 CO 0.08 -1.73 0.06 -0.19 0.00 0.00 0.00 173.10 171.32 3hae s TYR 113 N -2.71 -0.03 -0.30 1.90 1.51 -0.62 -4.87 117.35 112.22 3hae s TYR 113 Ca 0.22 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.25 3hae s TYR 113 Cb -0.02 -0.00 0.14 0.00 -0.11 0.00 0.00 41.96 41.97 3hae s TYR 113 CO 0.08 -0.06 0.74 -1.58 -1.11 0.00 0.00 175.55 173.61 3hae s HIS 114 N -0.19 -1.18 0.09 2.71 2.46 -1.26 -2.08 115.29 115.84 3hae s HIS 114 Ca -0.02 2.03 -0.09 0.00 0.47 0.00 0.00 55.06 57.44 3hae s HIS 114 Cb -0.02 0.70 0.00 0.00 -0.13 0.00 0.00 32.58 33.13 3hae s HIS 114 CO 0.00 -0.59 0.21 1.14 -2.47 0.00 0.00 174.74 173.03 3hae s GLN 115 N 2.79 0.86 -0.04 2.88 -2.07 -0.19 -0.63 119.66 123.27 3hae s GLN 115 Ca -0.05 -0.94 -0.01 0.00 -1.82 0.00 0.00 55.36 52.54 3hae s GLN 115 Cb -0.11 0.35 0.03 0.00 -1.09 0.00 0.00 33.01 32.20 3hae s GLN 115 CO -0.19 -0.28 0.06 -0.47 -1.32 0.00 0.00 175.29 173.10 3hae s TYR 116 N -3.86 0.01 -0.00 9.60 6.14 0.43 -1.61 117.35 128.06 3hae s TYR 116 Ca 0.05 0.25 0.07 0.00 0.64 0.00 0.00 57.07 58.08 3hae s TYR 116 Cb 0.05 -0.32 -0.02 0.00 0.42 0.00 0.00 41.96 42.09 3hae s TYR 116 CO -0.11 -0.15 -0.22 0.00 0.64 0.00 0.00 175.55 175.71 3hae s ALA 117 N 1.58 2.35 -0.03 3.97 0.00 0.30 0.28 121.76 130.22 3hae s ALA 117 Ca -0.03 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.87 3hae s ALA 117 Cb -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3hae s ALA 117 CO -0.03 0.54 -0.22 -0.47 0.00 0.00 0.00 175.76 175.57 3hae s TYR 118 N -0.72 2.06 -1.30 0.00 5.04 -0.54 -1.61 117.35 120.28 3hae s TYR 118 Ca 0.11 -0.46 -0.17 0.00 -2.44 0.00 0.00 57.07 54.12 3hae s TYR 118 Cb -0.10 -1.34 0.17 0.00 0.35 0.00 0.00 41.96 41.04 3hae s TYR 118 CO 0.01 -0.09 0.41 -0.25 -1.34 0.00 0.00 175.55 174.30 3hae n ASP 119 N 2.68 -1.48 0.00 4.32 8.00 -0.08 -1.14 116.55 128.86 3hae n ASP 119 Ca -0.16 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3hae n ASP 119 Cb 0.52 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 3hae n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hae n GLY 120 N -0.88 0.52 3.36 0.44 0.00 -1.26 -5.00 105.19 102.37 3hae n GLY 120 Ca 0.08 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3hae n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae s LYS 121 N -0.46 1.36 0.49 1.61 1.02 -0.29 -5.11 119.74 118.36 3hae s LYS 121 Ca 0.00 -1.44 -0.22 0.00 0.02 0.00 0.00 55.97 54.32 3hae s LYS 121 Cb 0.00 -1.52 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 3hae s LYS 121 CO 0.00 0.32 1.02 -0.25 -0.92 0.00 0.00 175.35 175.52 3hae n ASP 122 N 0.30 1.23 0.04 2.83 8.00 -1.26 -1.47 116.55 126.22 3hae n ASP 122 Ca -0.13 0.96 -0.00 0.00 0.71 0.00 0.00 54.79 56.32 3hae n ASP 122 Cb 0.57 -1.38 -0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3hae n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hae n TYR 123 N -0.92 0.00 -3.73 1.24 9.36 0.14 -4.60 117.16 118.65 3hae n TYR 123 Ca 0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.19 3hae n TYR 123 Cb 0.42 -0.01 -0.10 0.00 -0.63 0.00 0.00 39.34 39.03 3hae n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hae s ILE 124 N -2.01 0.00 0.02 2.97 2.07 -0.89 -1.13 121.20 122.23 3hae s ILE 124 Ca -0.00 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3hae s ILE 124 Cb 0.00 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 3hae s ILE 124 CO 0.01 -0.02 -0.04 0.00 -1.91 0.00 0.00 174.94 172.97 3hae s ALA 125 N 0.08 0.30 -0.20 1.50 0.00 -0.54 -0.43 121.76 122.47 3hae s ALA 125 Ca -0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 3hae s ALA 125 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hae s ALA 125 CO 0.01 -0.02 1.06 -1.17 0.00 0.00 0.00 175.76 175.64 3hae s LEU 126 N -0.83 4.13 1.04 0.00 2.96 0.20 -0.71 118.68 125.48 3hae s LEU 126 Ca -0.06 1.44 -0.15 0.00 -0.22 0.00 0.00 54.13 55.14 3hae s LEU 126 Cb -0.06 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.20 3hae s LEU 126 CO -0.00 -0.64 0.43 0.29 -1.32 0.00 0.00 176.35 175.11 3hae n LYS 127 N 6.12 -1.09 -0.28 1.98 5.02 0.12 -4.57 118.16 125.46 3hae n LYS 127 Ca 0.12 -0.28 0.21 0.00 -2.02 0.00 0.00 58.31 56.33 3hae n LYS 127 Cb 0.46 -1.90 0.52 0.00 -0.02 0.00 0.00 35.03 34.09 3hae n LYS 127 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3hae h GLU 128 N -1.94 0.37 -0.09 1.97 4.57 -1.89 -1.53 114.58 116.03 3hae h GLU 128 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3hae h GLU 128 Cb 1.32 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3hae h GLU 128 CO 0.39 0.25 0.00 -0.40 -1.18 0.00 0.00 179.01 178.06 3hae n ASP 129 N -4.53 0.91 -4.33 1.04 5.68 -1.26 -4.72 116.55 109.34 3hae n ASP 129 Ca 0.22 -1.59 -0.38 0.00 -0.50 0.00 0.00 54.79 52.54 3hae n ASP 129 Cb 0.79 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.66 3hae n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hae n LEU 130 N -0.18 -1.39 0.00 -2.12 4.77 -0.58 -4.74 117.00 112.77 3hae n LEU 130 Ca 0.15 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3hae n LEU 130 Cb 0.21 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 3hae n LEU 130 CO 0.11 0.25 -0.02 0.54 -1.33 0.00 0.00 177.39 176.94 3hae n ARG 131 N -4.29 2.89 -3.82 3.23 1.74 -1.26 -4.68 116.66 110.47 3hae n ARG 131 Ca 0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 3hae n ARG 131 Cb 0.50 -0.28 -0.07 0.00 -1.02 0.00 0.00 32.46 31.59 3hae n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hae s SER 132 N -0.14 0.06 0.14 0.55 1.04 -1.26 -4.96 113.70 109.12 3hae s SER 132 Ca 0.00 -0.59 0.06 0.00 0.48 0.00 0.00 55.95 55.91 3hae s SER 132 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3hae s SER 132 CO 0.00 -0.74 -0.02 0.26 0.98 0.00 0.00 173.24 173.72 3hae s TRP 133 N -3.80 2.87 -0.23 5.02 0.52 -1.26 -0.70 118.94 121.36 3hae s TRP 133 Ca 0.04 -0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.03 3hae s TRP 133 Cb 0.04 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 3hae s TRP 133 CO -0.11 0.49 -0.05 0.99 0.02 0.00 0.00 176.95 178.29 3hae s THR 134 N -1.52 3.17 -0.20 2.01 2.01 0.11 -4.83 115.64 116.40 3hae s THR 134 Ca 0.26 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.45 3hae s THR 134 Cb -0.10 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3hae s THR 134 CO 0.18 0.35 0.23 0.00 -0.69 0.00 0.00 174.62 174.68 3hae s ALA 135 N 1.42 3.62 0.31 7.40 0.00 -1.26 -1.47 121.76 131.78 3hae s ALA 135 Ca 0.04 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.42 3hae s ALA 135 Cb -0.15 -2.35 0.52 0.00 0.00 0.00 0.00 23.12 21.14 3hae s ALA 135 CO -0.04 -0.03 1.73 0.00 0.00 0.00 0.00 175.76 177.42 3hae h ALA 136 N 7.03 1.18 -2.49 0.00 0.00 -1.40 -3.47 119.26 120.10 3hae h ALA 136 Ca -0.39 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hae h ALA 136 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hae h ALA 136 CO 0.72 0.56 0.00 -0.40 0.00 0.00 0.00 179.25 180.13 3hae n ASP 137 N -4.05 0.00 0.15 0.00 3.85 -1.26 -5.04 116.55 110.19 3hae n ASP 137 Ca -0.01 -0.63 -0.14 0.00 -0.71 0.00 0.00 54.79 53.29 3hae n ASP 137 Cb 0.45 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.14 3hae n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 3hae h MET 138 N 0.00 -0.32 -0.54 0.11 1.85 -1.99 -2.92 114.93 111.12 3hae h MET 138 Ca 0.00 0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.22 3hae h MET 138 Cb 0.00 0.07 -0.10 0.00 0.43 0.00 0.00 31.60 32.00 3hae h MET 138 CO 0.00 -0.13 -0.10 0.00 -0.40 0.00 0.00 176.91 176.28 3hae h ALA 139 N 0.28 0.40 -0.10 0.39 0.00 -1.98 0.82 119.26 119.07 3hae h ALA 139 Ca -0.03 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3hae h ALA 139 Cb 0.34 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hae h ALA 139 CO 0.06 -0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.08 3hae h ALA 140 N 1.52 1.50 -0.14 0.00 0.00 -1.82 -1.53 119.26 118.79 3hae h ALA 140 Ca 0.26 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hae h ALA 140 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hae h ALA 140 CO -0.53 -0.25 -0.20 0.37 0.00 0.00 0.00 179.25 178.64 3hae h GLN 141 N 0.00 0.25 -0.61 0.00 5.75 -0.70 0.17 115.11 119.97 3hae h GLN 141 Ca 0.05 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3hae h GLN 141 Cb 0.44 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3hae h GLN 141 CO -0.00 0.45 0.00 1.15 -2.65 0.00 0.00 178.83 177.78 3hae h THR 142 N 0.23 1.27 0.11 2.39 2.02 -1.37 -0.38 112.91 117.16 3hae h THR 142 Ca 0.04 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 3hae h THR 142 Cb 0.49 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hae h THR 142 CO 0.03 0.42 -0.05 0.74 0.37 0.00 0.00 175.52 177.03 3hae h THR 143 N 0.97 1.07 -0.62 3.16 2.02 -1.45 -2.31 112.91 115.75 3hae h THR 143 Ca 0.17 -0.70 0.12 0.00 0.77 0.00 0.00 66.41 66.78 3hae h THR 143 Cb 0.55 1.51 -0.12 0.00 -1.74 0.00 0.00 68.15 68.35 3hae h THR 143 CO 0.03 0.17 -0.21 0.50 0.37 0.00 0.00 175.52 176.38 3hae h LYS 144 N -0.47 -0.06 -0.35 6.66 3.64 -0.87 0.22 116.57 125.35 3hae h LYS 144 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3hae h LYS 144 Cb 0.39 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3hae h LYS 144 CO 0.02 -0.04 0.03 1.25 -2.27 0.00 0.00 179.45 178.45 3hae h HIS 145 N -0.06 0.55 0.50 1.91 2.76 -1.06 0.21 115.15 119.96 3hae h HIS 145 Ca 0.28 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3hae h HIS 145 Cb 0.50 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3hae h HIS 145 CO -0.55 0.52 -0.24 -0.22 -1.30 0.00 0.00 177.93 176.14 3hae h LYS 146 N 0.52 -0.64 0.00 5.26 3.64 -0.27 -2.67 116.57 122.40 3hae h LYS 146 Ca 0.11 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3hae h LYS 146 Cb 0.29 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3hae h LYS 146 CO 0.01 -0.34 -0.06 -1.49 -2.27 0.00 0.00 179.45 175.30 3hae h TRP 147 N -0.98 0.00 0.02 1.91 4.06 -0.42 -0.69 115.95 119.85 3hae h TRP 147 Ca -0.07 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 3hae h TRP 147 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 3hae h TRP 147 CO 0.01 0.06 -0.01 0.93 -3.56 0.00 0.00 178.44 175.87 3hae h GLU 148 N 0.00 -0.02 -0.97 0.49 5.08 -0.53 -1.85 114.58 116.78 3hae h GLU 148 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hae h GLU 148 Cb 0.13 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3hae h GLU 148 CO 0.01 0.43 0.64 0.00 -1.00 0.00 0.00 179.01 179.09 3hae h ALA 149 N 0.48 1.34 0.00 3.43 0.00 -1.08 -1.76 119.26 121.67 3hae h ALA 149 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hae h ALA 149 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hae h ALA 149 CO 0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3hae n ALA 150 N -2.39 2.53 -2.46 0.00 0.00 -0.31 -4.90 120.51 112.98 3hae n ALA 150 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3hae n ALA 150 Cb 0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 3hae n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hae n HIS 151 N -0.89 -1.47 -0.30 0.00 -0.00 -0.66 -4.88 115.22 107.01 3hae n HIS 151 Ca 0.17 0.01 0.13 0.00 -0.00 0.00 0.00 57.72 58.03 3hae n HIS 151 Cb 0.08 -2.63 0.29 0.00 -0.00 0.00 0.00 29.99 27.73 3hae n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hae h VAL 152 N -0.02 0.26 -0.31 1.59 2.07 -1.59 -2.93 116.25 115.32 3hae h VAL 152 Ca -0.27 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3hae h VAL 152 Cb 1.20 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hae h VAL 152 CO 0.32 0.03 0.18 0.00 0.02 0.00 0.00 177.57 178.12 3hae h ALA 153 N 1.81 0.39 -0.69 1.67 0.00 -1.90 -2.15 119.26 118.39 3hae h ALA 153 Ca 0.55 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.59 3hae h ALA 153 Cb 1.13 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 3hae h ALA 153 CO -0.70 -0.19 0.19 0.93 0.00 0.00 0.00 179.25 179.49 3hae h GLU 154 N 0.37 0.31 0.79 0.00 3.07 -1.80 0.58 114.58 117.90 3hae h GLU 154 Ca 0.12 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3hae h GLU 154 Cb 0.00 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3hae h GLU 154 CO -0.06 0.20 -0.38 1.96 -1.40 0.00 0.00 179.01 179.33 3hae h GLN 155 N 0.32 -1.03 -0.86 2.33 4.20 -1.49 -1.71 115.11 116.87 3hae h GLN 155 Ca 0.37 0.07 0.22 0.00 0.06 0.00 0.00 58.65 59.37 3hae h GLN 155 Cb 0.59 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.45 3hae h GLN 155 CO -0.43 -0.68 0.13 -0.07 -0.67 0.00 0.00 178.83 177.10 3hae h LEU 156 N -1.13 -0.19 0.17 1.46 4.07 -0.87 -1.42 115.31 117.41 3hae h LEU 156 Ca -0.11 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3hae h LEU 156 Cb 0.82 0.33 -0.02 0.00 1.08 0.00 0.00 40.66 42.87 3hae h LEU 156 CO 0.18 -0.19 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.07 3hae h ARG 157 N 0.14 -0.37 -0.85 1.13 2.43 0.36 0.18 114.38 117.39 3hae h ARG 157 Ca 0.51 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.91 3hae h ARG 157 Cb 1.01 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 3hae h ARG 157 CO -0.70 -0.25 0.32 0.00 -1.51 0.00 0.00 179.97 177.83 3hae h ALA 158 N 0.39 1.27 0.18 2.80 0.00 -0.33 0.58 119.26 124.15 3hae h ALA 158 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hae h ALA 158 Cb 0.37 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hae h ALA 158 CO -0.05 -0.34 -0.09 -0.92 0.00 0.00 0.00 179.25 177.85 3hae h TYR 159 N 0.35 -0.23 -0.53 0.00 3.20 -0.75 -0.99 116.97 118.03 3hae h TYR 159 Ca 0.51 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.30 3hae h TYR 159 Cb 0.94 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3hae h TYR 159 CO -0.19 0.16 0.01 -0.07 -1.64 0.00 0.00 178.16 176.43 3hae h LEU 160 N -0.69 0.86 -0.14 2.82 3.38 0.76 0.23 115.31 122.53 3hae h LEU 160 Ca -0.03 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 3hae h LEU 160 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hae h LEU 160 CO 0.04 0.91 -0.77 -0.08 0.09 0.00 0.00 178.44 178.64 3hae h GLU 161 N 0.83 0.00 0.00 1.13 4.81 0.06 -3.36 114.58 118.04 3hae h GLU 161 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hae h GLU 161 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3hae h GLU 161 CO 0.02 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.48 3hae n GLY 162 N 1.13 0.10 0.30 1.92 0.00 -0.38 -4.60 105.19 103.66 3hae n GLY 162 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3hae n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hae h THR 163 N 0.00 0.74 0.29 2.61 2.02 -1.39 -0.63 112.91 116.55 3hae h THR 163 Ca 0.00 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hae h THR 163 Cb 0.00 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 3hae h THR 163 CO 0.00 0.11 -0.27 0.00 0.37 0.00 0.00 175.52 175.73 3hae h VAL 165 N -0.59 1.10 -0.18 0.00 -1.51 -1.42 -1.72 116.25 111.94 3hae h VAL 165 Ca -0.01 -0.30 -0.18 0.00 -1.23 0.00 0.00 66.70 64.97 3hae h VAL 165 Cb 0.53 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3hae h VAL 165 CO -0.04 0.12 -0.62 -0.33 -1.23 0.00 0.00 177.57 175.46 3hae h GLU 166 N 0.38 0.64 0.05 5.19 5.08 -0.66 -0.85 114.58 124.41 3hae h GLU 166 Ca 0.10 -0.45 -0.25 0.00 -1.00 0.00 0.00 59.36 57.76 3hae h GLU 166 Cb 0.06 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hae h GLU 166 CO -0.01 1.07 -1.07 -1.49 -1.00 0.00 0.00 179.01 176.50 3hae h TRP 167 N 0.47 0.69 -0.18 4.33 4.06 -0.79 -2.12 115.95 122.42 3hae h TRP 167 Ca -0.01 -0.41 0.05 0.00 2.06 0.00 0.00 58.89 60.58 3hae h TRP 167 Cb 1.20 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 29.24 3hae h TRP 167 CO 0.06 1.26 -0.18 1.25 -3.56 0.00 0.00 178.44 177.27 3hae h LEU 168 N 0.22 -0.56 -0.84 -4.49 5.85 -1.19 0.25 115.31 114.56 3hae h LEU 168 Ca -0.12 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3hae h LEU 168 Cb 1.73 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.97 3hae h LEU 168 CO 0.19 -0.22 0.50 0.03 -0.34 0.00 0.00 178.44 178.60 3hae h ARG 169 N -0.20 0.87 0.50 1.25 3.08 -1.05 0.15 114.38 118.98 3hae h ARG 169 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3hae h ARG 169 Cb 0.37 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hae h ARG 169 CO -0.30 0.57 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.84 3hae h ARG 170 N 0.89 -0.65 -0.61 0.04 2.43 -0.61 -1.62 114.38 114.24 3hae h ARG 170 Ca 0.38 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.72 3hae h ARG 170 Cb 0.24 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 3hae h ARG 170 CO -0.20 -0.40 -0.15 1.88 -1.51 0.00 0.00 179.97 179.59 3hae h TYR 171 N -0.75 -0.32 -0.60 2.20 0.05 0.35 0.26 116.97 118.15 3hae h TYR 171 Ca -0.07 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3hae h TYR 171 Cb 0.56 0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3hae h TYR 171 CO -0.02 -0.26 0.19 -0.07 -1.05 0.00 0.00 178.16 176.95 3hae h LEU 172 N 0.00 0.84 0.37 3.88 3.38 -0.54 0.26 115.31 123.50 3hae h LEU 172 Ca 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hae h LEU 172 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hae h LEU 172 CO -0.63 0.79 -0.18 -0.33 0.09 0.00 0.00 178.44 178.18 3hae h GLU 173 N 0.88 -0.47 -0.58 1.13 5.08 -0.26 -1.94 114.58 118.42 3hae h GLU 173 Ca 0.20 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3hae h GLU 173 Cb 0.25 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3hae h GLU 173 CO -0.01 -0.29 0.06 -0.91 -1.00 0.00 0.00 179.01 176.86 3hae h ASN 174 N -0.54 0.91 -0.25 1.42 -0.26 -0.50 -2.57 115.58 113.79 3hae h ASN 174 Ca -0.05 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3hae h ASN 174 Cb 0.41 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3hae h ASN 174 CO 0.08 0.94 0.00 0.61 -1.06 0.00 0.00 177.43 178.00 3hae n GLY 175 N -0.61 1.84 0.24 2.83 0.00 0.87 -4.62 105.19 105.74 3hae n GLY 175 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.70 3hae n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hae h LYS 176 N 1.68 0.31 -0.99 1.61 -0.00 -0.92 0.37 116.57 118.62 3hae h LYS 176 Ca 0.00 -0.02 0.17 0.00 -0.00 0.00 0.00 60.65 60.80 3hae h LYS 176 Cb 1.00 -0.07 -0.10 0.00 -0.00 0.00 0.00 32.23 33.06 3hae h LYS 176 CO 0.17 0.20 0.60 0.93 -0.00 0.00 0.00 179.45 181.36 3hae h GLU 177 N 0.32 0.80 0.00 0.07 3.07 -1.86 -2.76 114.58 114.21 3hae h GLU 177 Ca 0.34 -0.05 -0.44 0.00 -0.50 0.00 0.00 59.36 58.71 3hae h GLU 177 Cb 0.50 -0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 28.16 3hae h GLU 177 CO -0.40 0.53 -2.49 0.25 -1.40 0.00 0.00 179.01 175.50 3hae n THR 178 N -4.73 1.47 0.21 1.13 -2.24 0.03 -4.32 114.28 105.83 3hae n THR 178 Ca 0.22 -0.40 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3hae n THR 178 Cb 0.50 -1.79 0.41 0.00 -2.10 0.00 0.00 70.33 67.35 3hae n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hae h LEU 179 N -0.80 0.00 -2.37 3.22 3.38 -0.38 -2.27 115.31 116.08 3hae h LEU 179 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3hae h LEU 179 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3hae h LEU 179 CO -0.36 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.47 3hae n GLN 180 N -3.51 2.48 -2.09 1.13 6.02 -1.04 -4.91 117.38 115.45 3hae n GLN 180 Ca -0.00 -2.28 -0.33 0.00 -0.01 0.00 0.00 57.00 54.38 3hae n GLN 180 Cb 0.46 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.23 3hae n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hae s ARG 181 N -1.40 3.35 -0.06 -1.09 1.70 -0.86 -5.05 118.95 115.53 3hae s ARG 181 Ca 0.38 1.24 0.01 0.00 -0.47 0.00 0.00 55.73 56.89 3hae s ARG 181 Cb 0.22 -2.03 0.02 0.00 -0.57 0.00 0.00 34.95 32.59 3hae s ARG 181 CO 0.30 -0.79 -0.06 0.95 -1.08 0.00 0.00 175.30 174.62 3hae s THR 182 N -2.38 0.73 -0.47 4.99 -4.23 -1.26 -4.72 115.64 108.30 3hae s THR 182 Ca 0.64 -0.19 -0.17 0.00 -1.18 0.00 0.00 61.69 60.79 3hae s THR 182 Cb -0.16 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 72.99 3hae s THR 182 CO 0.35 0.28 0.45 -1.81 -0.54 0.00 0.00 174.62 173.35 3hae s ASP 183 N 1.14 6.17 0.42 3.99 1.01 0.75 -4.88 116.67 125.27 3hae s ASP 183 Ca -0.07 -1.12 -0.25 0.00 0.71 0.00 0.00 52.55 51.82 3hae s ASP 183 Cb -0.14 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 3hae s ASP 183 CO -0.01 -0.69 1.14 0.00 0.21 0.00 0.00 175.17 175.82 3hae n ALA 184 N 5.49 0.71 -1.78 5.23 0.00 -1.26 -1.98 120.51 126.92 3hae n ALA 184 Ca -0.10 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3hae n ALA 184 Cb 0.45 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 3hae n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hae s PRO 185 N -2.10 4.31 -0.23 0.00 0.04 -1.26 -4.53 135.00 131.23 3hae s PRO 185 Ca 0.62 2.27 -0.19 0.00 0.04 0.00 0.00 61.00 63.75 3hae s PRO 185 Cb -0.54 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 3hae s PRO 185 CO 0.57 -0.25 0.55 0.15 0.04 0.00 0.00 177.00 178.06 3hae s LYS 186 N -1.74 4.14 -0.01 4.56 1.02 -0.52 -4.88 119.74 122.30 3hae s LYS 186 Ca 0.50 0.43 0.08 0.00 0.02 0.00 0.00 55.97 57.01 3hae s LYS 186 Cb -0.41 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 3hae s LYS 186 CO 0.54 -0.28 -0.26 0.95 -0.92 0.00 0.00 175.35 175.38 3hae s THR 187 N 2.06 2.04 0.26 2.17 -4.23 -1.26 -0.52 115.64 116.15 3hae s THR 187 Ca 0.24 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 3hae s THR 187 Cb -0.16 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 3hae s THR 187 CO 0.09 0.54 0.37 -1.38 -0.54 0.00 0.00 174.62 173.70 3hae s HIS 188 N -0.63 0.80 -0.06 3.99 -3.43 -1.11 -5.00 115.29 109.85 3hae s HIS 188 Ca 0.10 -1.08 0.01 0.00 -0.80 0.00 0.00 55.06 53.30 3hae s HIS 188 Cb -0.10 -0.12 0.02 0.00 -1.43 0.00 0.00 32.58 30.95 3hae s HIS 188 CO -0.01 -0.92 -0.07 1.41 -2.00 0.00 0.00 174.74 173.16 3hae s MET 189 N -3.82 1.16 0.39 -0.38 1.75 -1.26 -0.46 119.30 116.67 3hae s MET 189 Ca 0.30 -0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.62 3hae s MET 189 Cb 0.02 -1.11 -0.02 0.00 2.84 0.00 0.00 34.83 36.56 3hae s MET 189 CO 0.13 -0.09 0.37 0.95 -0.65 0.00 0.00 175.02 175.73 3hae s THR 190 N 1.02 2.97 -0.09 10.11 -4.23 -0.01 -4.94 115.64 120.46 3hae s THR 190 Ca -0.09 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 3hae s THR 190 Cb -0.14 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.68 3hae s THR 190 CO -0.00 -0.05 0.15 -2.28 -0.54 0.00 0.00 174.62 171.90 3hae s HIS 191 N -2.41 -0.15 -0.10 3.99 5.04 -1.26 -1.46 115.29 118.93 3hae s HIS 191 Ca 0.47 0.53 0.03 0.00 -1.54 0.00 0.00 55.06 54.54 3hae s HIS 191 Cb -0.05 -0.30 -0.01 0.00 0.04 0.00 0.00 32.58 32.27 3hae s HIS 191 CO 0.28 -0.29 -0.19 -1.01 -2.34 0.00 0.00 174.74 171.19 3hae s HIS 192 N 2.28 2.65 -0.64 3.88 3.76 -0.61 -5.00 115.29 121.62 3hae s HIS 192 Ca 0.03 -0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 53.87 3hae s HIS 192 Cb -0.12 -1.74 0.01 0.00 1.11 0.00 0.00 32.58 31.84 3hae s HIS 192 CO -0.06 -0.28 1.44 0.00 -0.85 0.00 0.00 174.74 174.99 3hae s ALA 193 N 0.22 2.67 0.23 -1.40 0.00 -1.26 -1.13 121.76 121.09 3hae s ALA 193 Ca -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 3hae s ALA 193 Cb -0.16 -4.19 0.25 0.00 0.00 0.00 0.00 23.12 19.02 3hae s ALA 193 CO 0.07 -3.23 1.86 0.28 0.00 0.00 0.00 175.76 174.74 3hae h VAL 194 N 6.34 1.10 -1.82 0.00 2.07 -1.78 -3.48 116.25 118.69 3hae h VAL 194 Ca -0.27 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3hae h VAL 194 Cb 1.09 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3hae h VAL 194 CO 1.22 0.18 0.03 -1.54 0.02 0.00 0.00 177.57 177.48 3hae n SER 195 N -4.60 -0.11 0.30 0.57 3.41 -1.13 -4.97 113.62 107.09 3hae n SER 195 Ca 0.10 -1.07 0.17 0.00 -0.26 0.00 0.00 58.87 57.81 3hae n SER 195 Cb 0.11 0.18 0.96 0.00 -0.26 0.00 0.00 64.21 65.20 3hae n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hae h ASP 196 N 0.11 0.00 0.00 4.04 3.45 -2.04 -3.31 116.42 118.67 3hae h ASP 196 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3hae h ASP 196 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3hae h ASP 196 CO 0.02 0.03 -1.52 1.41 -1.57 0.00 0.00 179.24 177.61 3hae n HIS 197 N -3.51 0.00 -4.16 4.55 8.25 -1.26 -4.78 115.22 114.31 3hae n HIS 197 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3hae n HIS 197 Cb 0.13 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.87 3hae n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hae s GLU 198 N -2.84 0.92 -0.09 -0.41 2.02 -1.25 -1.43 118.70 115.62 3hae s GLU 198 Ca -0.04 -1.43 -0.13 0.00 0.02 0.00 0.00 54.97 53.39 3hae s GLU 198 Cb 0.08 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.49 3hae s GLU 198 CO 0.52 -0.22 0.34 0.00 0.02 0.00 0.00 175.26 175.92 3hae s ALA 199 N -3.96 -0.84 -0.08 5.21 0.00 -0.22 -2.18 121.76 119.69 3hae s ALA 199 Ca 0.22 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3hae s ALA 199 Cb 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3hae s ALA 199 CO 0.01 -0.20 0.41 0.99 0.00 0.00 0.00 175.76 176.96 3hae s THR 200 N -0.40 5.16 -0.21 0.00 2.01 -0.28 -0.33 115.64 121.59 3hae s THR 200 Ca -0.05 0.82 -0.05 0.00 0.31 0.00 0.00 61.69 62.72 3hae s THR 200 Cb -0.03 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3hae s THR 200 CO 0.02 0.44 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 3hae s LEU 201 N -0.05 3.12 -0.15 4.42 1.43 0.04 -1.57 118.68 125.93 3hae s LEU 201 Ca 0.23 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3hae s LEU 201 Cb -0.15 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3hae s LEU 201 CO 0.10 0.02 -0.10 -0.60 0.23 0.00 0.00 176.35 176.00 3hae s ARG 202 N 1.24 3.45 -0.30 1.70 3.52 -0.54 -1.98 118.95 126.03 3hae s ARG 202 Ca 0.03 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 54.90 3hae s ARG 202 Cb -0.15 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 3hae s ARG 202 CO 0.00 0.16 0.13 0.00 -0.81 0.00 0.00 175.30 174.79 3hae s TRP 204 N 1.60 3.29 -0.27 0.00 0.52 0.39 -1.49 118.94 122.98 3hae s TRP 204 Ca 0.05 0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 3hae s TRP 204 Cb -0.17 -1.86 0.08 0.00 -1.15 0.00 0.00 33.47 30.38 3hae s TRP 204 CO 0.06 0.51 0.06 0.00 0.02 0.00 0.00 176.95 177.59 3hae s ALA 205 N -0.80 1.51 0.12 0.98 0.00 -0.37 -2.73 121.76 120.47 3hae s ALA 205 Ca 0.13 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.73 3hae s ALA 205 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3hae s ALA 205 CO 0.03 -1.47 0.08 -0.51 0.00 0.00 0.00 175.76 173.89 3hae s LEU 206 N 1.62 3.71 -1.05 0.00 1.43 0.32 -1.80 118.68 122.92 3hae s LEU 206 Ca 0.05 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 3hae s LEU 206 Cb -0.17 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.69 3hae s LEU 206 CO -0.17 0.12 0.69 -1.54 0.23 0.00 0.00 176.35 175.68 3hae n SER 207 N 0.09 -4.88 -4.43 2.29 3.41 -0.36 -1.44 113.62 108.30 3hae n SER 207 Ca -0.09 -1.06 -0.21 0.00 -0.26 0.00 0.00 58.87 57.25 3hae n SER 207 Cb 0.53 -2.29 -0.10 0.00 -0.26 0.00 0.00 64.21 62.08 3hae n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hae s PHE 208 N -3.31 1.99 -0.28 7.33 -0.12 -1.03 -4.54 117.98 118.01 3hae s PHE 208 Ca 0.31 -0.59 -0.18 0.00 -0.05 0.00 0.00 56.93 56.42 3hae s PHE 208 Cb -0.15 -1.04 0.09 0.00 -0.63 0.00 0.00 43.02 41.29 3hae s PHE 208 CO 0.91 0.40 0.76 -0.47 -0.05 0.00 0.00 175.22 176.78 3hae s TYR 209 N -2.88 -0.89 1.09 3.49 5.04 -0.84 -1.14 117.35 121.22 3hae s TYR 209 Ca 0.28 1.88 -0.18 0.00 -2.44 0.00 0.00 57.07 56.60 3hae s TYR 209 Cb 0.01 0.50 0.25 0.00 0.35 0.00 0.00 41.96 43.07 3hae s TYR 209 CO 0.11 -0.44 1.24 -1.25 -1.34 0.00 0.00 175.55 173.87 3hae s PRO 210 N 1.24 -0.39 0.56 4.97 0.05 -1.26 -0.18 135.00 139.98 3hae s PRO 210 Ca -0.07 -0.32 0.30 0.00 0.05 0.00 0.00 61.00 60.96 3hae s PRO 210 Cb -0.05 -1.72 1.67 0.00 0.05 0.00 0.00 34.50 34.46 3hae s PRO 210 CO -0.14 -3.12 2.16 0.00 0.05 0.00 0.00 177.00 175.96 3hae h ALA 211 N -2.15 1.34 -1.88 8.56 0.00 -1.95 -3.43 119.26 119.75 3hae h ALA 211 Ca -0.44 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 3hae h ALA 211 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hae h ALA 211 CO 0.33 0.08 1.51 -2.00 0.00 0.00 0.00 179.25 179.17 3hae s GLU 212 N -4.34 2.90 0.04 0.00 2.56 -1.26 -4.96 118.70 113.64 3hae s GLU 212 Ca -0.04 1.82 -0.07 0.00 0.00 0.00 0.00 54.97 56.69 3hae s GLU 212 Cb 0.14 -4.41 -0.01 0.00 2.00 0.00 0.00 34.13 31.85 3hae s GLU 212 CO 0.55 -2.37 0.13 -1.50 -0.56 0.00 0.00 175.26 171.51 3hae s ILE 213 N 9.13 0.13 -0.10 -3.70 2.07 -1.26 -4.56 121.20 122.91 3hae s ILE 213 Ca 0.98 -1.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 3hae s ILE 213 Cb -0.28 -0.97 0.03 0.00 0.13 0.00 0.00 42.46 41.37 3hae s ILE 213 CO 0.33 -0.60 -0.04 -0.89 -1.91 0.00 0.00 174.94 171.83 3hae s THR 214 N -2.77 0.77 -0.21 4.00 2.01 -0.65 -5.00 115.64 113.78 3hae s THR 214 Ca -0.03 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 3hae s THR 214 Cb -0.00 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 3hae s THR 214 CO -0.05 0.31 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.36 3hae s LEU 215 N 1.81 2.77 0.14 4.42 1.43 -1.26 -1.44 118.68 126.56 3hae s LEU 215 Ca 0.05 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3hae s LEU 215 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3hae s LEU 215 CO -0.07 -0.02 -0.17 0.42 0.23 0.00 0.00 176.35 176.74 3hae s THR 216 N 1.45 1.62 -0.02 5.49 -4.23 -0.68 -4.98 115.64 114.28 3hae s THR 216 Ca 0.06 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3hae s THR 216 Cb -0.14 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3hae s THR 216 CO -0.05 -0.34 0.02 0.26 -0.54 0.00 0.00 174.62 173.97 3hae s TRP 217 N -2.02 3.13 0.06 3.99 0.52 -1.26 -0.91 118.94 122.44 3hae s TRP 217 Ca 0.12 0.13 0.06 0.00 0.02 0.00 0.00 56.10 56.44 3hae s TRP 217 Cb -0.06 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3hae s TRP 217 CO 0.05 0.48 -0.18 -0.65 0.02 0.00 0.00 176.95 176.67 3hae s GLN 218 N -1.45 1.10 -0.09 4.98 -0.21 0.31 -1.39 119.66 122.90 3hae s GLN 218 Ca 0.19 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.66 3hae s GLN 218 Cb -0.12 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.71 3hae s GLN 218 CO 0.09 0.29 -0.16 0.50 -2.12 0.00 0.00 175.29 173.89 3hae s ARG 219 N -1.41 2.23 -1.09 2.91 3.52 -0.57 -0.89 118.95 123.64 3hae s ARG 219 Ca 0.04 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 3hae s ARG 219 Cb -0.09 -1.82 0.13 0.00 -1.56 0.00 0.00 34.95 31.61 3hae s ARG 219 CO 0.02 0.02 0.36 -0.25 -0.81 0.00 0.00 175.30 174.63 3hae n ASP 220 N 3.94 -1.70 -0.16 -2.12 10.43 0.35 -0.55 116.55 126.75 3hae n ASP 220 Ca -0.20 -0.48 -0.02 0.00 2.57 0.00 0.00 54.79 56.66 3hae n ASP 220 Cb 0.52 -1.51 -0.00 0.00 1.84 0.00 0.00 41.12 41.96 3hae n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hae n GLY 221 N -0.85 0.40 3.02 0.44 0.00 -1.26 -5.04 105.19 101.90 3hae n GLY 221 Ca 0.06 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 3hae n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hae s GLU 222 N -3.11 1.72 -0.04 1.61 2.12 0.29 -5.09 118.70 116.20 3hae s GLU 222 Ca 0.00 -0.41 -0.40 0.00 0.36 0.00 0.00 54.97 54.52 3hae s GLU 222 Cb 0.00 -1.46 -0.19 0.00 0.26 0.00 0.00 34.13 32.74 3hae s GLU 222 CO 0.00 -0.01 1.17 -0.25 -0.54 0.00 0.00 175.26 175.64 3hae n ASP 223 N 3.95 0.39 -3.98 -1.70 8.00 -1.26 -1.51 116.55 120.43 3hae n ASP 223 Ca -0.22 1.16 -0.30 0.00 0.71 0.00 0.00 54.79 56.14 3hae n ASP 223 Cb 0.52 -0.96 -0.16 0.00 -0.02 0.00 0.00 41.12 40.50 3hae n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3hae s GLN 224 N 0.43 1.96 -0.16 -1.24 2.00 -0.49 -4.80 119.66 117.36 3hae s GLN 224 Ca 0.92 -0.76 0.03 0.00 -2.00 0.00 0.00 55.36 53.55 3hae s GLN 224 Cb -1.24 -2.31 -0.12 0.00 0.80 0.00 0.00 33.01 30.14 3hae s GLN 224 CO 0.58 -0.41 -0.12 -2.37 -0.50 0.00 0.00 175.29 172.47 3hae n THR 225 N 4.73 0.96 -1.65 -0.34 5.66 -1.26 -4.35 114.28 118.02 3hae n THR 225 Ca -0.14 -0.40 -0.40 0.00 -3.05 0.00 0.00 64.05 60.06 3hae n THR 225 Cb 0.47 -1.03 0.02 0.00 -1.55 0.00 0.00 70.33 68.24 3hae n THR 225 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hae n GLN 226 N -2.92 1.48 -3.39 1.09 6.02 -1.26 -3.45 117.38 114.95 3hae n GLN 226 Ca -0.29 0.54 -0.20 0.00 -0.01 0.00 0.00 57.00 57.04 3hae n GLN 226 Cb 0.83 -2.23 0.07 0.00 1.02 0.00 0.00 30.24 29.93 3hae n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hae n ASP 227 N 0.01 -5.70 -3.96 1.08 8.00 -1.26 -4.89 116.55 109.82 3hae n ASP 227 Ca 0.09 -0.44 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 3hae n ASP 227 Cb 0.41 -4.33 -0.16 0.00 -0.02 0.00 0.00 41.12 37.02 3hae n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hae s THR 228 N -3.26 1.38 -0.03 -3.53 2.01 -1.22 -2.39 115.64 108.59 3hae s THR 228 Ca 0.48 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 3hae s THR 228 Cb -0.21 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3hae s THR 228 CO 0.60 0.30 0.03 -0.70 -0.69 0.00 0.00 174.62 174.16 3hae s GLU 229 N 1.54 2.96 -0.07 4.92 2.12 0.32 -4.95 118.70 125.53 3hae s GLU 229 Ca 0.03 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 3hae s GLU 229 Cb -0.14 -2.79 0.04 0.00 0.26 0.00 0.00 34.13 31.50 3hae s GLU 229 CO -0.09 0.66 0.11 -1.17 -0.54 0.00 0.00 175.26 174.23 3hae s LEU 230 N -1.40 0.06 0.45 2.70 2.96 -1.26 0.42 118.68 122.61 3hae s LEU 230 Ca 0.19 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 3hae s LEU 230 Cb -0.12 0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.54 3hae s LEU 230 CO 0.09 -0.26 0.87 0.68 -1.32 0.00 0.00 176.35 176.41 3hae s VAL 231 N 2.22 4.66 0.34 1.68 -7.23 -0.92 -5.04 120.40 116.11 3hae s VAL 231 Ca 0.04 0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 60.85 3hae s VAL 231 Cb -0.12 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 32.99 3hae s VAL 231 CO -0.05 -0.57 1.38 -1.83 -0.31 0.00 0.00 175.10 173.73 3hae s GLU 232 N -3.88 4.26 0.31 4.82 -1.05 -1.26 -4.62 118.70 117.28 3hae s GLU 232 Ca 0.55 2.35 -0.30 0.00 -0.15 0.00 0.00 54.97 57.43 3hae s GLU 232 Cb -0.10 -3.04 -0.12 0.00 -0.44 0.00 0.00 34.13 30.44 3hae s GLU 232 CO 0.30 -0.33 1.56 2.41 0.95 0.00 0.00 175.26 180.15 3hae n THR 233 N 0.81 1.23 -4.29 1.83 -1.04 -1.26 -4.85 114.28 106.71 3hae n THR 233 Ca 0.01 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.05 61.47 3hae n THR 233 Cb 0.41 -1.94 -0.12 0.00 -1.82 0.00 0.00 70.33 66.85 3hae n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hae s ARG 234 N -0.85 1.13 0.13 -2.82 1.70 0.32 -4.96 118.95 113.60 3hae s ARG 234 Ca 0.62 -1.18 -0.30 0.00 -0.47 0.00 0.00 55.73 54.40 3hae s ARG 234 Cb -0.50 -1.38 -0.07 0.00 -0.57 0.00 0.00 34.95 32.43 3hae s ARG 234 CO 0.52 0.32 1.26 -1.25 -1.08 0.00 0.00 175.30 175.07 3hae s PRO 235 N -1.96 4.42 0.34 3.89 0.04 -1.26 -0.81 135.00 139.65 3hae s PRO 235 Ca 0.07 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.12 3hae s PRO 235 Cb -0.10 -3.27 0.60 0.00 0.04 0.00 0.00 34.50 31.77 3hae s PRO 235 CO 0.04 -0.25 1.77 0.00 0.04 0.00 0.00 177.00 178.60 3hae h ALA 236 N 6.16 1.26 0.00 8.56 0.00 -1.32 -3.46 119.26 130.46 3hae h ALA 236 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3hae h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hae h ALA 236 CO 0.80 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.99 3hae n GLY 237 N -0.32 0.68 0.64 0.00 0.00 -1.26 -4.90 105.19 100.03 3hae n GLY 237 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3hae n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hae n ASP 238 N 0.00 1.60 0.00 1.61 5.75 -1.26 -4.95 116.55 119.29 3hae n ASP 238 Ca 0.00 -3.26 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 3hae n ASP 238 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3hae n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hae n GLY 239 N -0.82 1.57 1.74 6.12 0.00 -1.26 -5.04 105.19 107.50 3hae n GLY 239 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hae n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 240 N -2.00 0.00 -4.21 2.61 -2.24 -1.26 -4.92 114.28 102.26 3hae n THR 240 Ca 0.00 -0.88 -0.12 0.00 -2.27 0.00 0.00 64.05 60.78 3hae n THR 240 Cb 0.00 -0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 3hae n THR 240 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hae s PHE 241 N -0.69 1.08 0.03 4.78 0.40 -0.29 -0.89 117.98 122.40 3hae s PHE 241 Ca 0.25 -1.08 -0.00 0.00 -0.60 0.00 0.00 56.93 55.50 3hae s PHE 241 Cb -0.02 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 3hae s PHE 241 CO 0.16 -0.31 -0.03 -0.65 0.70 0.00 0.00 175.22 175.09 3hae s GLN 242 N -3.95 0.37 0.11 0.44 -0.21 0.01 -1.23 119.66 115.21 3hae s GLN 242 Ca 0.23 -0.72 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 3hae s GLN 242 Cb 0.07 0.10 0.04 0.00 1.00 0.00 0.00 33.01 34.22 3hae s GLN 242 CO 0.03 -0.05 0.46 0.21 -2.12 0.00 0.00 175.29 173.81 3hae s LYS 243 N -1.89 1.10 0.08 2.91 2.20 -0.74 -0.52 119.74 122.88 3hae s LYS 243 Ca -0.12 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3hae s LYS 243 Cb -0.07 0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 3hae s LYS 243 CO -0.02 -0.43 0.09 1.67 -0.36 0.00 0.00 175.35 176.29 3hae s TRP 244 N -3.48 0.38 0.01 4.03 1.48 -1.26 -1.23 118.94 118.86 3hae s TRP 244 Ca 0.01 -0.86 0.02 0.00 -1.06 0.00 0.00 56.10 54.21 3hae s TRP 244 Cb 0.01 -0.24 -0.01 0.00 -1.16 0.00 0.00 33.47 32.07 3hae s TRP 244 CO -0.10 -0.48 -0.06 0.00 -4.06 0.00 0.00 176.95 172.25 3hae s ALA 245 N -3.91 0.51 0.03 2.67 0.00 -0.56 -2.17 121.76 118.34 3hae s ALA 245 Ca 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3hae s ALA 245 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3hae s ALA 245 CO -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 175.76 175.68 3hae s ALA 246 N -0.46 0.58 0.08 0.00 0.00 0.17 0.02 121.76 122.14 3hae s ALA 246 Ca -0.01 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.41 3hae s ALA 246 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3hae s ALA 246 CO -0.00 0.03 -0.23 0.14 0.00 0.00 0.00 175.76 175.70 3hae s VAL 247 N -1.00 1.91 -0.09 0.00 -7.23 -0.84 -0.52 120.40 112.62 3hae s VAL 247 Ca -0.06 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 3hae s VAL 247 Cb -0.08 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3hae s VAL 247 CO 0.00 0.16 0.33 0.54 -0.31 0.00 0.00 175.10 175.82 3hae s VAL 248 N -0.94 5.23 0.02 1.32 0.11 -1.01 -0.78 120.40 124.35 3hae s VAL 248 Ca 0.10 0.64 0.02 0.00 -2.93 0.00 0.00 61.98 59.80 3hae s VAL 248 Cb -0.10 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 3hae s VAL 248 CO 0.03 0.49 -0.06 0.68 -3.33 0.00 0.00 175.10 172.91 3hae s VAL 249 N -0.29 0.42 0.31 2.04 -7.23 0.55 -4.93 120.40 111.27 3hae s VAL 249 Ca 0.20 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 3hae s VAL 249 Cb -0.14 -0.44 -0.11 0.00 0.56 0.00 0.00 36.38 36.25 3hae s VAL 249 CO 0.08 -0.16 1.45 -2.16 -0.31 0.00 0.00 175.10 174.00 3hae s PRO 250 N -0.87 4.22 0.23 4.82 0.04 -1.26 -1.05 135.00 141.13 3hae s PRO 250 Ca -0.05 2.40 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 3hae s PRO 250 Cb -0.06 -3.05 -0.16 0.00 0.04 0.00 0.00 34.50 31.27 3hae s PRO 250 CO 0.00 -0.43 0.87 0.43 0.04 0.00 0.00 177.00 177.90 3hae n SER 251 N 1.50 0.38 0.00 6.66 7.64 -0.52 -1.80 113.62 127.49 3hae n SER 251 Ca 0.04 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3hae n SER 251 Cb 0.40 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3hae n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hae n GLY 252 N 1.62 1.39 0.11 0.23 0.00 -1.26 -4.86 105.19 102.42 3hae n GLY 252 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hae n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hae n GLN 253 N -2.00 1.37 -0.30 1.61 6.02 -0.74 -4.72 117.38 118.62 3hae n GLN 253 Ca 0.00 -1.18 0.22 0.00 -0.01 0.00 0.00 57.00 56.02 3hae n GLN 253 Cb 0.00 -1.05 0.51 0.00 1.02 0.00 0.00 30.24 30.72 3hae n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3hae h GLU 254 N 0.42 0.39 -0.17 -1.09 3.07 -1.89 -1.14 114.58 114.17 3hae h GLU 254 Ca 0.00 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 3hae h GLU 254 Cb 0.35 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3hae h GLU 254 CO 0.00 0.26 0.12 1.96 -1.40 0.00 0.00 179.01 179.95 3hae h GLN 255 N 0.40 0.00 0.00 2.33 1.08 -1.89 -2.88 115.11 114.15 3hae h GLN 255 Ca 0.55 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.75 3hae h GLN 255 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 3hae h GLN 255 CO -0.25 0.00 0.00 2.89 -0.95 0.00 0.00 178.83 180.52 3hae n ARG 256 N -4.42 0.32 -3.67 1.46 1.85 -0.43 -4.78 116.66 106.99 3hae n ARG 256 Ca 0.01 0.05 -0.36 0.00 -1.00 0.00 0.00 57.85 56.55 3hae n ARG 256 Cb 0.25 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.10 3hae n ARG 256 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3hae s TYR 257 N -2.61 3.52 0.06 2.89 1.51 -1.09 -0.50 117.35 121.14 3hae s TYR 257 Ca 0.23 0.56 0.05 0.00 -1.01 0.00 0.00 57.07 56.90 3hae s TYR 257 Cb 0.17 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3hae s TYR 257 CO 0.39 0.44 -0.14 0.95 -1.11 0.00 0.00 175.55 176.08 3hae s THR 258 N -0.18 1.13 -0.13 -0.71 -4.23 -0.07 -4.41 115.64 107.05 3hae s THR 258 Ca 0.15 -1.21 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3hae s THR 258 Cb -0.13 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3hae s THR 258 CO 0.04 -0.15 0.13 0.00 -0.54 0.00 0.00 174.62 174.11 3hae s HIS 260 N -0.91 2.55 -0.18 0.00 3.76 -0.09 -0.24 115.29 120.18 3hae s HIS 260 Ca 0.14 -1.46 -0.04 0.00 -0.15 0.00 0.00 55.06 53.55 3hae s HIS 260 Cb -0.12 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 3hae s HIS 260 CO 0.03 -0.73 -0.02 0.08 -0.85 0.00 0.00 174.74 173.25 3hae s VAL 261 N 1.29 3.86 -0.10 -0.90 1.01 -0.59 -1.69 120.40 123.28 3hae s VAL 261 Ca 0.03 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3hae s VAL 261 Cb -0.13 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3hae s VAL 261 CO -0.11 0.46 -0.18 -1.10 0.00 0.00 0.00 175.10 174.17 3hae s GLN 262 N 0.70 2.44 -0.22 2.72 -0.21 -0.52 -1.88 119.66 122.69 3hae s GLN 262 Ca -0.01 -0.66 -0.27 0.00 0.02 0.00 0.00 55.36 54.44 3hae s GLN 262 Cb -0.14 -1.94 0.08 0.00 1.00 0.00 0.00 33.01 32.00 3hae s GLN 262 CO 0.02 0.06 0.78 -1.58 -2.12 0.00 0.00 175.29 172.45 3hae s HIS 263 N 0.64 -0.69 0.52 0.91 2.46 -1.26 -1.64 115.29 116.22 3hae s HIS 263 Ca -0.14 1.57 0.19 0.00 0.47 0.00 0.00 55.06 57.15 3hae s HIS 263 Cb -0.16 0.32 1.29 0.00 -0.13 0.00 0.00 32.58 33.90 3hae s HIS 263 CO 0.04 -0.40 2.09 1.49 -2.47 0.00 0.00 174.74 175.49 3hae h GLU 264 N 4.32 0.03 0.00 2.88 4.81 -1.95 0.44 114.58 125.12 3hae h GLU 264 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3hae h GLU 264 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3hae h GLU 264 CO 0.14 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.86 3hae n GLY 265 N -1.57 -1.00 3.63 1.92 0.00 -1.26 -4.69 105.19 102.21 3hae n GLY 265 Ca 0.02 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3hae n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hae s LEU 266 N -2.69 4.08 0.15 0.99 1.43 0.14 -4.46 118.68 118.32 3hae s LEU 266 Ca 0.16 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 3hae s LEU 266 Cb 0.13 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3hae s LEU 266 CO 0.32 -0.03 1.76 1.55 0.23 0.00 0.00 176.35 180.17 3hae h PRO 267 N 7.89 0.28 -5.76 1.29 0.13 -1.85 -3.42 132.00 130.56 3hae h PRO 267 Ca -0.36 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.24 3hae h PRO 267 Cb 1.17 -0.06 -0.25 0.00 0.13 0.00 0.00 31.00 31.99 3hae h PRO 267 CO 0.63 0.18 -0.82 0.15 -0.23 0.00 0.00 178.00 177.91 3hae s LYS 268 N -6.16 1.16 0.53 0.86 -0.14 -1.26 -5.13 119.74 109.59 3hae s LYS 268 Ca -0.13 -0.89 -0.21 0.00 -1.36 0.00 0.00 55.97 53.38 3hae s LYS 268 Cb 0.11 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.97 3hae s LYS 268 CO 0.71 0.31 1.22 -2.14 -0.76 0.00 0.00 175.35 174.69 3hae s PRO 269 N -1.26 3.32 0.22 -1.68 0.02 -1.26 -5.01 135.00 129.35 3hae s PRO 269 Ca 0.05 1.89 -0.18 0.00 0.02 0.00 0.00 61.00 62.78 3hae s PRO 269 Cb -0.09 -2.18 -0.08 0.00 0.02 0.00 0.00 34.50 32.17 3hae s PRO 269 CO 0.02 -0.94 0.69 -0.51 -0.33 0.00 0.00 177.00 175.92 3hae s LEU 270 N -3.55 4.31 -0.12 -5.54 1.43 -0.79 -4.93 118.68 109.50 3hae s LEU 270 Ca 0.71 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 3hae s LEU 270 Cb -0.32 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 3hae s LEU 270 CO 0.37 0.02 -0.19 -0.89 0.23 0.00 0.00 176.35 175.89 3hae s THR 271 N -1.56 2.47 -0.02 5.49 2.01 -1.26 -1.53 115.64 121.23 3hae s THR 271 Ca 0.43 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3hae s THR 271 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3hae s THR 271 CO 0.20 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.76 3hae s LEU 272 N 0.39 2.66 0.01 4.42 1.02 0.67 -4.95 118.68 122.90 3hae s LEU 272 Ca -0.15 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.79 3hae s LEU 272 Cb -0.17 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 3hae s LEU 272 CO 0.07 0.32 -0.18 -0.60 0.02 0.00 0.00 176.35 175.98 3hae s ARG 273 N -0.91 1.34 0.18 1.70 3.52 -1.26 0.24 118.95 123.76 3hae s ARG 273 Ca 0.12 -0.70 -0.32 0.00 -0.13 0.00 0.00 55.73 54.70 3hae s ARG 273 Cb -0.11 -1.33 -0.11 0.00 -1.56 0.00 0.00 34.95 31.84 3hae s ARG 273 CO 0.02 0.36 1.72 -0.46 -0.81 0.00 0.00 175.30 176.13 3hae s TRP 274 N -0.54 2.72 -0.46 5.12 -0.11 -1.26 -4.93 118.94 119.48 3hae s TRP 274 Ca 0.06 0.29 -0.14 0.00 1.22 0.00 0.00 56.10 57.54 3hae s TRP 274 Cb -0.07 -4.11 0.07 0.00 -1.50 0.00 0.00 33.47 27.86 3hae s TRP 274 CO 0.00 -4.30 0.36 -1.21 -4.62 0.00 0.00 176.95 167.18 3hae s GLU 275 N 1.61 2.90 0.00 5.86 2.02 -1.26 -4.87 118.70 124.95 3hae s GLU 275 Ca 0.76 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3hae s GLU 275 Cb -0.48 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 29.71 3hae s GLU 275 CO 0.33 -1.00 0.00 -2.30 0.02 0.00 0.00 175.26 172.31