#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 2.92 0.10 1.61 0.01 -1.26 -4.26 113.70 112.82 3hae s SER 2 Ca 0.00 1.19 -0.10 0.00 1.31 0.00 0.00 55.95 58.35 3hae s SER 2 Cb 0.00 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.39 3hae s SER 2 CO 0.00 -2.95 0.23 -1.00 0.41 0.00 0.00 173.24 169.94 3hae s HIS 3 N -3.02 0.08 0.14 2.43 0.09 -0.85 -4.95 115.29 109.22 3hae s HIS 3 Ca 0.65 -0.49 -0.06 0.00 -0.00 0.00 0.00 55.06 55.16 3hae s HIS 3 Cb -0.18 0.01 -0.02 0.00 -0.00 0.00 0.00 32.58 32.39 3hae s HIS 3 CO 0.57 -0.58 0.19 -1.54 -0.00 0.00 0.00 174.74 173.38 3hae s SER 4 N -2.85 0.15 -0.03 1.40 1.04 -1.26 -1.18 113.70 110.97 3hae s SER 4 Ca 0.05 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.53 3hae s SER 4 Cb 0.04 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3hae s SER 4 CO -0.11 -0.82 -0.01 -0.32 0.98 0.00 0.00 173.24 172.96 3hae s MET 5 N -3.98 0.33 -0.01 4.02 1.75 -0.70 -0.41 119.30 120.30 3hae s MET 5 Ca 0.18 0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 3hae s MET 5 Cb 0.05 -0.47 0.01 0.00 2.84 0.00 0.00 34.83 37.26 3hae s MET 5 CO -0.01 -0.10 -0.01 1.03 -0.65 0.00 0.00 175.02 175.29 3hae s ARG 6 N 0.82 0.17 -0.02 4.11 1.81 -0.70 -1.26 118.95 123.88 3hae s ARG 6 Ca -0.08 0.01 -0.00 0.00 -1.72 0.00 0.00 55.73 53.93 3hae s ARG 6 Cb -0.12 -0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 3hae s ARG 6 CO -0.01 -0.04 0.04 0.71 -0.68 0.00 0.00 175.30 175.32 3hae s TYR 7 N 0.41 3.20 -0.04 -0.53 2.02 -0.27 -0.15 117.35 121.99 3hae s TYR 7 Ca -0.04 0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 3hae s TYR 7 Cb -0.06 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3hae s TYR 7 CO -0.01 0.51 -0.22 -0.06 -1.57 0.00 0.00 175.55 174.20 3hae s PHE 8 N -1.09 2.14 0.02 2.71 0.40 0.22 -2.29 117.98 120.09 3hae s PHE 8 Ca 0.20 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3hae s PHE 8 Cb -0.12 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 3hae s PHE 8 CO 0.10 -0.16 -0.12 -0.06 0.70 0.00 0.00 175.22 175.68 3hae s PHE 9 N -0.18 1.03 -0.05 0.36 0.40 0.10 -1.07 117.98 118.57 3hae s PHE 9 Ca -0.01 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3hae s PHE 9 Cb -0.12 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.82 3hae s PHE 9 CO 0.02 0.00 0.07 0.99 0.70 0.00 0.00 175.22 177.01 3hae s THR 10 N -0.68 -0.13 0.10 0.64 2.01 0.23 -1.47 115.64 116.35 3hae s THR 10 Ca 0.01 0.39 0.10 0.00 0.31 0.00 0.00 61.69 62.50 3hae s THR 10 Cb -0.07 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3hae s THR 10 CO 0.01 0.16 -0.26 -0.94 -0.69 0.00 0.00 174.62 172.90 3hae s SER 11 N 2.05 3.13 -0.09 3.53 1.04 -0.23 -1.61 113.70 121.51 3hae s SER 11 Ca 0.03 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 3hae s SER 11 Cb -0.12 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.80 3hae s SER 11 CO -0.03 0.18 -0.04 -0.69 0.98 0.00 0.00 173.24 173.63 3hae s VAL 12 N -1.01 0.70 0.64 5.02 1.01 -0.87 -1.56 120.40 124.33 3hae s VAL 12 Ca 0.12 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 3hae s VAL 12 Cb -0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3hae s VAL 12 CO 0.05 0.31 1.15 -0.44 0.00 0.00 0.00 175.10 176.17 3hae s SER 13 N 1.79 5.07 -0.42 3.32 0.01 -0.27 -1.71 113.70 121.49 3hae s SER 13 Ca 0.04 2.17 0.06 0.00 1.31 0.00 0.00 55.95 59.54 3hae s SER 13 Cb -0.12 -2.57 0.22 0.00 0.21 0.00 0.00 66.02 63.75 3hae s SER 13 CO -0.06 -1.66 0.54 -2.11 0.41 0.00 0.00 173.24 170.35 3hae n ARG 14 N -2.09 0.53 -1.72 12.44 1.85 -1.26 -4.39 116.66 122.03 3hae n ARG 14 Ca 0.12 -2.87 -0.43 0.00 -1.00 0.00 0.00 57.85 53.67 3hae n ARG 14 Cb 0.51 -1.42 -0.02 0.00 -1.05 0.00 0.00 32.46 30.48 3hae n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3hae n PRO 15 N 2.06 2.37 0.00 2.89 -0.02 -1.26 -2.18 135.00 138.86 3hae n PRO 15 Ca 0.22 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3hae n PRO 15 Cb 0.53 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3hae n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 16 N 1.71 2.82 3.91 -1.23 0.00 -1.26 -5.00 105.19 106.14 3hae n GLY 16 Ca 0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 0.47 0.00 1.61 3.52 -0.93 -5.09 118.95 118.54 3hae s ARG 17 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3hae s ARG 17 Cb 0.00 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.57 3hae s ARG 17 CO 0.00 -2.53 0.00 0.41 -0.81 0.00 0.00 175.30 172.37 3hae n GLY 18 N -3.57 -0.85 3.97 8.12 0.00 -1.26 -4.86 105.19 106.75 3hae n GLY 18 Ca 0.15 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 2.92 0.46 1.61 2.02 -1.26 -4.75 118.70 119.70 3hae s GLU 19 Ca 0.00 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.01 3hae s GLU 19 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.53 3hae s GLU 19 CO 0.00 -0.31 1.14 -2.30 0.02 0.00 0.00 175.26 173.81 3hae n PRO 20 N -2.03 1.55 -2.26 0.39 -0.02 -1.26 -4.67 135.00 126.70 3hae n PRO 20 Ca 0.03 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3hae n PRO 20 Cb 0.58 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3hae n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hae s ARG 21 N -2.28 4.32 -0.15 -0.52 3.52 -0.69 -4.84 118.95 118.31 3hae s ARG 21 Ca 0.65 1.94 0.02 0.00 -0.13 0.00 0.00 55.73 58.21 3hae s ARG 21 Cb -0.50 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.44 3hae s ARG 21 CO 0.55 -0.48 -0.21 0.12 -0.81 0.00 0.00 175.30 174.47 3hae s PHE 22 N 1.86 2.69 -0.09 5.12 5.36 -1.26 -2.04 117.98 129.62 3hae s PHE 22 Ca 0.63 -1.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 3hae s PHE 22 Cb -0.32 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 3hae s PHE 22 CO 0.27 -0.63 -0.11 0.42 -1.46 0.00 0.00 175.22 173.71 3hae s ILE 23 N 0.87 1.14 -0.02 3.12 1.01 -0.63 -0.29 121.20 126.40 3hae s ILE 23 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3hae s ILE 23 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3hae s ILE 23 CO -0.03 0.37 -0.13 0.00 0.00 0.00 0.00 174.94 175.15 3hae s ALA 24 N 1.04 1.14 0.03 9.38 0.00 -0.08 -0.60 121.76 132.67 3hae s ALA 24 Ca -0.07 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3hae s ALA 24 Cb -0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3hae s ALA 24 CO -0.01 0.24 -0.05 0.14 0.00 0.00 0.00 175.76 176.08 3hae s VAL 25 N -0.10 0.32 0.03 0.00 -7.23 -0.23 -0.72 120.40 112.46 3hae s VAL 25 Ca 0.01 -0.97 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3hae s VAL 25 Cb -0.07 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 3hae s VAL 25 CO 0.00 -0.42 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.32 3hae s GLY 26 N -1.47 1.47 0.12 2.32 0.00 -0.76 -0.61 107.32 108.38 3hae s GLY 26 Ca -0.13 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 43.47 3hae s GLY 26 CO -0.00 -1.06 -0.16 -0.19 0.00 0.00 0.00 173.10 171.69 3hae s TYR 27 N -0.83 1.50 -0.16 1.90 1.51 0.78 -0.89 117.35 121.16 3hae s TYR 27 Ca 0.13 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3hae s TYR 27 Cb -0.10 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3hae s TYR 27 CO 0.03 0.17 -0.15 0.08 -1.11 0.00 0.00 175.55 174.57 3hae s VAL 28 N -1.84 1.73 0.00 0.71 1.01 0.02 -1.72 120.40 120.31 3hae s VAL 28 Ca 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3hae s VAL 28 Cb -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3hae s VAL 28 CO 0.04 0.44 0.00 0.47 0.00 0.00 0.00 175.10 176.05 3hae n ASP 29 N 4.71 0.00 -2.00 3.32 8.00 0.45 -1.98 116.55 129.05 3hae n ASP 29 Ca -0.18 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.11 3hae n ASP 29 Cb 0.49 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.76 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 3.25 4.17 -3.92 -2.24 8.00 -1.26 -4.89 116.55 119.68 3hae n ASP 30 Ca 0.00 -3.69 -0.29 0.00 0.71 0.00 0.00 54.79 51.52 3hae n ASP 30 Cb 0.00 -0.80 -0.16 0.00 -0.02 0.00 0.00 41.12 40.14 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 -3.60 1.25 0.19 -3.53 2.01 -0.84 -5.01 115.64 106.12 3hae s THR 31 Ca 0.55 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3hae s THR 31 Cb 0.47 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 3hae s THR 31 CO 0.06 0.11 1.00 -1.58 -0.69 0.00 0.00 174.62 173.53 3hae s GLN 32 N 1.56 4.73 0.00 4.92 0.74 -1.26 -0.80 119.66 129.55 3hae s GLN 32 Ca -0.00 1.57 0.00 0.00 0.05 0.00 0.00 55.36 56.98 3hae s GLN 32 Cb -0.16 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3hae s GLN 32 CO -0.08 0.29 0.00 1.97 -0.55 0.00 0.00 175.29 176.92 3hae n PHE 33 N 2.02 0.00 -4.17 1.67 -1.74 -0.07 -4.21 117.46 110.96 3hae n PHE 33 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.77 3hae n PHE 33 Cb 0.47 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.37 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 -1.43 0.85 0.03 1.97 -7.23 -1.23 -0.76 120.40 112.61 3hae s VAL 34 Ca 0.00 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 3hae s VAL 34 Cb 0.00 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.48 3hae s VAL 34 CO 0.00 -0.68 0.23 0.00 -0.31 0.00 0.00 175.10 174.34 3hae s ARG 35 N -3.18 0.70 -0.07 4.82 1.70 -1.02 -1.84 118.95 120.06 3hae s ARG 35 Ca 0.08 -0.54 -0.05 0.00 -0.47 0.00 0.00 55.73 54.75 3hae s ARG 35 Cb 0.00 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 3hae s ARG 35 CO -0.02 -0.20 0.18 0.12 -1.08 0.00 0.00 175.30 174.30 3hae s PHE 36 N -2.33 -0.21 -0.18 5.89 5.36 0.10 -1.00 117.98 125.62 3hae s PHE 36 Ca -0.07 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.41 3hae s PHE 36 Cb -0.02 0.04 0.05 0.00 -0.34 0.00 0.00 43.02 42.75 3hae s PHE 36 CO -0.02 -0.13 0.01 0.34 -1.46 0.00 0.00 175.22 173.96 3hae s ASP 37 N 0.46 2.80 0.49 6.13 -1.08 -1.26 -0.90 116.67 123.30 3hae s ASP 37 Ca -0.03 -0.73 0.27 0.00 -0.52 0.00 0.00 52.55 51.55 3hae s ASP 37 Cb -0.04 -0.68 1.34 0.00 -1.46 0.00 0.00 42.92 42.08 3hae s ASP 37 CO -0.02 -0.26 1.84 0.77 0.52 0.00 0.00 175.17 178.02 3hae h SER 38 N 8.21 0.17 0.82 -0.34 4.64 -1.03 0.30 113.55 126.32 3hae h SER 38 Ca -0.18 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3hae h SER 38 Cb 1.11 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3hae h SER 38 CO 0.34 0.05 -0.14 0.47 -0.87 0.00 0.00 176.83 176.69 3hae n ASP 39 N -4.37 0.16 -4.87 4.97 9.92 -1.26 -4.90 116.55 116.19 3hae n ASP 39 Ca 0.21 0.22 -0.30 0.00 -0.53 0.00 0.00 54.79 54.40 3hae n ASP 39 Cb 0.95 -0.27 0.05 0.00 -0.64 0.00 0.00 41.12 41.21 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 -2.96 2.82 0.10 2.24 0.00 0.09 -5.00 121.76 119.06 3hae s ALA 40 Ca 0.15 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 3hae s ALA 40 Cb 0.19 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.19 3hae s ALA 40 CO 0.57 -1.19 1.64 0.00 0.00 0.00 0.00 175.76 176.78 3hae h ALA 41 N -0.69 0.29 0.00 0.00 0.00 -1.90 -3.33 119.26 113.63 3hae h ALA 41 Ca -0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hae h ALA 41 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hae h ALA 41 CO 0.63 -0.12 -0.02 0.66 0.00 0.00 0.00 179.25 180.40 3hae h SER 42 N 0.21 0.00 -4.83 0.00 4.64 -1.94 -3.46 113.55 108.17 3hae h SER 42 Ca 0.07 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.00 3hae h SER 42 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3hae h SER 42 CO -0.01 0.02 -0.59 0.00 -0.87 0.00 0.00 176.83 175.37 3hae n GLN 43 N -3.11 -4.53 -4.13 4.77 1.13 -1.25 -4.97 117.38 105.30 3hae n GLN 43 Ca 0.03 0.77 -0.14 0.00 -1.94 0.00 0.00 57.00 55.72 3hae n GLN 43 Cb 0.45 -5.59 -0.11 0.00 0.11 0.00 0.00 30.24 25.10 3hae n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hae s ARG 44 N -5.82 0.72 0.11 -1.09 1.81 -1.26 -5.06 118.95 108.37 3hae s ARG 44 Ca 0.34 -1.02 -0.31 0.00 -1.72 0.00 0.00 55.73 53.03 3hae s ARG 44 Cb -0.16 -0.43 -0.07 0.00 -0.45 0.00 0.00 34.95 33.84 3hae s ARG 44 CO 0.42 0.07 1.28 1.41 -0.68 0.00 0.00 175.30 177.80 3hae s MET 45 N -2.39 4.40 0.08 3.54 -2.45 -1.26 -4.66 119.30 116.56 3hae s MET 45 Ca -0.00 1.92 0.10 0.00 -1.25 0.00 0.00 55.69 56.46 3hae s MET 45 Cb -0.05 -3.28 -0.03 0.00 1.25 0.00 0.00 34.83 32.72 3hae s MET 45 CO -0.00 -0.29 -0.26 -1.21 1.05 0.00 0.00 175.02 174.30 3hae s GLU 46 N 0.76 1.61 0.56 4.11 2.02 -0.17 -4.89 118.70 122.68 3hae s GLU 46 Ca 0.60 -1.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.21 3hae s GLU 46 Cb -0.33 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 3hae s GLU 46 CO 0.32 0.48 1.10 -1.25 0.02 0.00 0.00 175.26 175.92 3hae s PRO 47 N -1.56 3.34 0.00 0.39 0.04 -1.26 -2.42 135.00 133.53 3hae s PRO 47 Ca 0.12 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3hae s PRO 47 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3hae s PRO 47 CO 0.04 -0.83 0.16 0.54 0.04 0.00 0.00 177.00 176.94 3hae n ARG 48 N -1.48 0.00 -3.82 4.56 5.12 0.06 -4.87 116.66 116.23 3hae n ARG 48 Ca 0.11 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.74 3hae n ARG 48 Cb 0.52 -0.34 -0.13 0.00 -1.16 0.00 0.00 32.46 31.35 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 -0.34 0.24 7.54 0.00 -1.24 -4.66 121.76 123.31 3hae s ALA 49 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 3hae s ALA 49 Cb 0.00 -0.25 0.33 0.00 0.00 0.00 0.00 23.12 23.19 3hae s ALA 49 CO 0.00 -0.08 1.58 -1.35 0.00 0.00 0.00 175.76 175.91 3hae h PRO 50 N 6.06 -0.02 0.00 0.00 0.10 -1.96 -2.43 132.00 133.76 3hae h PRO 50 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.83 3hae h PRO 50 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 3hae h PRO 50 CO 0.42 -0.01 0.00 -2.67 0.10 0.00 0.00 178.00 175.84 3hae n TRP 51 N -5.53 0.68 0.29 0.65 4.27 -1.26 -0.53 117.44 116.01 3hae n TRP 51 Ca 0.12 0.34 0.11 0.00 -3.89 0.00 0.00 57.50 54.18 3hae n TRP 51 Cb 0.42 -1.04 0.02 0.00 -1.36 0.00 0.00 31.31 29.36 3hae n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3hae n ILE 52 N -2.19 0.42 0.27 -1.67 0.13 -0.91 -3.91 119.36 111.49 3hae n ILE 52 Ca -0.01 -0.42 0.11 0.00 -1.10 0.00 0.00 62.75 61.33 3hae n ILE 52 Cb 0.07 -0.15 0.73 0.00 -0.84 0.00 0.00 39.64 39.46 3hae n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3hae h GLU 53 N 0.00 0.00 -0.54 9.51 5.08 -0.89 -1.95 114.58 125.80 3hae h GLU 53 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 3hae h GLU 53 Cb 0.89 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3hae h GLU 53 CO 0.00 0.00 0.38 1.96 -1.00 0.00 0.00 179.01 180.35 3hae h GLN 54 N 0.00 0.09 -6.91 2.33 4.20 -1.69 -3.44 115.11 109.70 3hae h GLN 54 Ca 0.01 -0.01 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3hae h GLN 54 Cb 0.02 -0.02 0.09 0.00 0.30 0.00 0.00 27.48 27.87 3hae h GLN 54 CO -0.00 0.06 0.75 -1.21 -0.67 0.00 0.00 178.83 177.76 3hae s GLU 55 N -5.11 4.18 0.92 1.46 0.41 -0.73 -4.99 118.70 114.84 3hae s GLU 55 Ca -0.06 2.47 -0.14 0.00 -0.41 0.00 0.00 54.97 56.83 3hae s GLU 55 Cb 0.20 -3.00 0.15 0.00 -1.78 0.00 0.00 34.13 29.69 3hae s GLU 55 CO 0.73 -0.44 1.22 0.20 -0.49 0.00 0.00 175.26 176.48 3hae s GLY 56 N -0.17 1.66 0.31 -1.39 0.00 -1.26 -4.83 107.32 101.63 3hae s GLY 56 Ca 0.53 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 44.46 3hae s GLY 56 CO 0.59 -0.22 1.67 -2.55 0.00 0.00 0.00 173.10 172.59 3hae h PRO 57 N -1.48 0.30 -0.76 2.90 0.11 -1.97 -1.51 132.00 129.59 3hae h PRO 57 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3hae h PRO 57 Cb 1.29 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3hae h PRO 57 CO 0.52 0.20 0.32 1.05 -0.21 0.00 0.00 178.00 179.89 3hae h GLU 58 N 0.31 1.13 -0.14 1.05 -0.00 -1.99 -0.39 114.58 114.55 3hae h GLU 58 Ca 0.61 -0.19 0.02 0.00 -0.00 0.00 0.00 59.36 59.80 3hae h GLU 58 Cb 1.28 -0.19 -0.03 0.00 -0.00 0.00 0.00 28.75 29.81 3hae h GLU 58 CO -0.60 0.91 -0.22 -0.92 -0.00 0.00 0.00 179.01 178.18 3hae h TYR 59 N 1.10 -0.68 -0.21 2.06 3.20 -1.62 0.13 116.97 120.94 3hae h TYR 59 Ca 0.26 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.21 3hae h TYR 59 Cb 0.19 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 3hae h TYR 59 CO 0.02 -0.20 -0.16 -1.49 -1.64 0.00 0.00 178.16 174.69 3hae h TRP 60 N -0.18 -0.40 -0.58 -3.82 4.06 -1.45 0.34 115.95 113.93 3hae h TRP 60 Ca 0.03 0.03 0.12 0.00 2.06 0.00 0.00 58.89 61.12 3hae h TRP 60 Cb 0.25 0.21 -0.10 0.00 -1.00 0.00 0.00 29.16 28.52 3hae h TRP 60 CO -0.62 -0.23 0.00 -0.44 -3.56 0.00 0.00 178.44 173.59 3hae h ASP 61 N -0.16 -0.26 -0.09 -3.49 5.19 -1.02 0.28 116.42 116.88 3hae h ASP 61 Ca 0.12 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3hae h ASP 61 Cb 0.34 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 3hae h ASP 61 CO -0.31 -0.10 -0.07 1.23 -3.12 0.00 0.00 179.24 176.88 3hae h GLY 62 N 0.12 0.22 1.04 2.75 0.00 0.22 -2.29 103.07 105.13 3hae h GLY 62 Ca 0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 3hae h GLY 62 CO -0.49 0.19 0.07 0.83 0.00 0.00 0.00 176.54 177.14 3hae h GLU 63 N -0.20 1.01 -0.78 4.80 4.39 -0.24 -0.38 114.58 123.17 3hae h GLU 63 Ca 0.02 -0.29 0.10 0.00 0.34 0.00 0.00 59.36 59.53 3hae h GLU 63 Cb 0.55 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 3hae h GLU 63 CO 0.02 0.96 0.42 1.15 -1.16 0.00 0.00 179.01 180.40 3hae h THR 64 N 0.91 0.87 -0.30 1.13 2.02 -0.88 0.41 112.91 117.07 3hae h THR 64 Ca 0.18 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3hae h THR 64 Cb 0.46 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hae h THR 64 CO 0.02 0.13 -0.13 0.03 0.37 0.00 0.00 175.52 175.94 3hae h ARG 65 N 0.71 0.61 -0.59 6.66 3.08 -0.76 -1.37 114.38 122.71 3hae h ARG 65 Ca 0.38 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 3hae h ARG 65 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hae h ARG 65 CO -0.26 0.83 0.03 0.87 -1.07 0.00 0.00 179.97 180.36 3hae h LYS 66 N 0.36 1.00 -0.16 0.04 1.57 -0.61 -2.09 116.57 116.69 3hae h LYS 66 Ca 0.07 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 3hae h LYS 66 Cb 0.64 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3hae h LYS 66 CO 0.04 0.97 -0.55 -0.24 -0.57 0.00 0.00 179.45 179.10 3hae h VAL 67 N 0.93 1.33 -0.58 0.50 3.04 -0.83 -0.88 116.25 119.75 3hae h VAL 67 Ca 0.17 -1.81 0.05 0.00 -1.01 0.00 0.00 66.70 64.10 3hae h VAL 67 Cb 0.50 1.81 -0.05 0.00 -2.01 0.00 0.00 31.29 31.54 3hae h VAL 67 CO 0.02 0.56 0.32 0.11 -1.01 0.00 0.00 177.57 177.57 3hae h LYS 68 N 0.36 0.59 -0.47 4.17 6.56 -0.95 -0.99 116.57 125.85 3hae h LYS 68 Ca 0.01 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.45 3hae h LYS 68 Cb 1.07 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.58 3hae h LYS 68 CO 0.10 0.39 -0.17 0.00 -2.06 0.00 0.00 179.45 177.71 3hae h ALA 69 N 1.30 0.82 -0.16 3.86 0.00 -0.88 0.28 119.26 124.48 3hae h ALA 69 Ca 0.25 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hae h ALA 69 Cb 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3hae h ALA 69 CO -0.16 0.65 -0.26 0.45 0.00 0.00 0.00 179.25 179.93 3hae h HIS 70 N 0.80 -0.71 -0.50 0.00 3.86 -0.73 0.78 115.15 118.66 3hae h HIS 70 Ca 0.12 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3hae h HIS 70 Cb 0.71 0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 3hae h HIS 70 CO 0.04 -0.34 0.30 0.66 0.86 0.00 0.00 177.93 179.45 3hae h SER 71 N -0.32 0.49 0.02 2.45 4.64 0.21 0.14 113.55 121.19 3hae h SER 71 Ca 0.11 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3hae h SER 71 Cb 0.48 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3hae h SER 71 CO -0.34 0.35 -0.08 1.56 -0.87 0.00 0.00 176.83 177.46 3hae h GLN 72 N 0.61 0.14 -0.25 4.77 4.20 -0.69 -0.38 115.11 123.51 3hae h GLN 72 Ca 0.20 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 3hae h GLN 72 Cb 0.00 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hae h GLN 72 CO -0.08 0.23 -0.30 1.15 -0.67 0.00 0.00 178.83 179.16 3hae h THR 73 N 0.14 1.31 -0.78 -0.54 2.02 0.10 -2.78 112.91 112.39 3hae h THR 73 Ca 0.03 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 65.79 3hae h THR 73 Cb 0.23 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3hae h THR 73 CO 0.01 0.47 0.51 0.45 0.37 0.00 0.00 175.52 177.33 3hae h HIS 74 N 0.37 0.87 -0.75 3.16 3.86 -0.50 0.14 115.15 122.30 3hae h HIS 74 Ca 0.03 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3hae h HIS 74 Cb 0.87 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 3hae h HIS 74 CO 0.08 0.47 0.49 -0.09 0.86 0.00 0.00 177.93 179.74 3hae h ARG 75 N 0.87 0.95 -0.15 2.45 2.43 -0.90 0.36 114.38 120.40 3hae h ARG 75 Ca 0.33 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.28 3hae h ARG 75 Cb 0.18 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3hae h ARG 75 CO -0.11 0.63 -0.57 0.28 -1.51 0.00 0.00 179.97 178.69 3hae h VAL 76 N 0.98 1.34 -0.32 0.20 2.07 -1.02 -3.20 116.25 116.29 3hae h VAL 76 Ca 0.28 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 3hae h VAL 76 Cb -0.07 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hae h VAL 76 CO -0.08 0.57 0.07 0.44 0.02 0.00 0.00 177.57 178.59 3hae h ASP 77 N 0.36 0.50 -0.59 0.57 3.32 0.75 -0.41 116.42 120.92 3hae h ASP 77 Ca 0.00 -0.24 0.12 0.00 0.02 0.00 0.00 57.03 56.93 3hae h ASP 77 Cb 1.11 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 3hae h ASP 77 CO 0.10 0.61 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.95 3hae h LEU 78 N 0.36 -0.77 -0.13 1.55 3.38 -0.35 0.17 115.31 119.53 3hae h LEU 78 Ca 0.10 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hae h LEU 78 Cb 0.31 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hae h LEU 78 CO 0.00 -0.24 0.07 1.23 0.09 0.00 0.00 178.44 179.59 3hae h GLY 79 N -0.07 0.20 1.69 0.83 0.00 -1.44 -0.74 103.07 103.55 3hae h GLY 79 Ca 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 3hae h GLY 79 CO -0.64 0.09 -0.01 -0.84 0.00 0.00 0.00 176.54 175.13 3hae h THR 80 N 0.12 1.17 0.25 4.70 2.02 0.19 -1.88 112.91 119.48 3hae h THR 80 Ca 0.05 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hae h THR 80 Cb 0.07 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3hae h THR 80 CO -0.01 0.22 -0.12 -0.07 0.37 0.00 0.00 175.52 175.91 3hae h LEU 81 N 0.38 -0.28 -0.79 2.58 3.38 -0.24 -1.21 115.31 119.12 3hae h LEU 81 Ca 0.08 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 57.99 3hae h LEU 81 Cb 0.27 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 3hae h LEU 81 CO 0.01 0.15 -0.15 -1.14 0.09 0.00 0.00 178.44 177.39 3hae n ARG 82 N -5.05 -0.07 0.29 1.13 0.63 -0.33 -0.63 116.66 112.63 3hae n ARG 82 Ca -0.09 1.23 -0.16 0.00 -0.92 0.00 0.00 57.85 57.91 3hae n ARG 82 Cb 0.26 -1.86 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 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 -0.76 1.42 5.14 0.00 -1.08 -1.40 103.07 106.38 3hae h GLY 83 Ca 0.40 0.28 0.07 0.00 0.00 0.00 0.00 47.33 48.08 3hae h GLY 83 CO -0.80 -0.28 0.23 -0.97 0.00 0.00 0.00 176.54 174.73 3hae h TYR 84 N -0.85 0.14 -0.53 5.60 0.05 0.38 -2.26 116.97 119.49 3hae h TYR 84 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3hae h TYR 84 Cb 0.61 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 3hae h TYR 84 CO -0.01 0.07 0.01 0.66 -1.05 0.00 0.00 178.16 177.84 3hae n TYR 85 N -4.47 1.92 -2.90 4.88 4.01 -0.17 -4.97 117.16 115.47 3hae n TYR 85 Ca 0.04 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 3hae n TYR 85 Cb 0.32 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 0.55 0.00 -4.78 7.72 3.02 -0.85 -4.96 115.26 115.95 3hae n ASN 86 Ca 0.26 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.49 3hae n ASN 86 Cb 1.13 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.99 3.01 0.49 3.52 -0.21 -0.55 -5.05 119.66 117.88 3hae s GLN 87 Ca 0.00 -0.57 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 3hae s GLN 87 Cb 0.00 -2.81 -0.09 0.00 1.00 0.00 0.00 33.01 31.11 3hae s GLN 87 CO 0.00 0.61 0.98 -1.54 -2.12 0.00 0.00 175.29 173.22 3hae s SER 88 N -2.03 6.71 0.37 5.90 1.04 -1.26 -4.74 113.70 119.68 3hae s SER 88 Ca 0.26 1.63 0.21 0.00 0.48 0.00 0.00 55.95 58.53 3hae s SER 88 Cb -0.12 -2.52 1.16 0.00 0.10 0.00 0.00 66.02 64.63 3hae s SER 88 CO 0.18 -0.53 1.62 -0.33 0.98 0.00 0.00 173.24 175.16 3hae h GLU 89 N 1.28 0.00 -0.17 4.02 5.08 -1.99 -3.16 114.58 119.64 3hae h GLU 89 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 3hae h GLU 89 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3hae h GLU 89 CO 0.61 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.57 3hae h ALA 90 N 1.70 0.24 -2.32 3.43 0.00 -1.99 -3.45 119.26 116.87 3hae h ALA 90 Ca 0.00 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 3hae h ALA 90 Cb 0.23 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 18.03 3hae h ALA 90 CO 0.00 0.02 0.38 0.20 0.00 0.00 0.00 179.25 179.86 3hae s GLY 91 N -3.22 1.84 0.03 0.00 0.00 -1.20 -4.75 107.32 100.03 3hae s GLY 91 Ca -0.14 0.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 3hae s GLY 91 CO 0.74 0.44 0.50 -0.45 0.00 0.00 0.00 173.10 174.33 3hae s SER 92 N -3.52 6.94 0.14 1.64 0.15 -1.26 -4.73 113.70 113.07 3hae s SER 92 Ca 0.59 1.12 0.02 0.00 0.70 0.00 0.00 55.95 58.38 3hae s SER 92 Cb -0.13 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3hae s SER 92 CO 0.47 0.29 -0.02 -1.00 1.20 0.00 0.00 173.24 174.18 3hae s HIS 93 N -1.03 1.06 -0.05 3.44 3.76 -1.26 -4.93 115.29 116.28 3hae s HIS 93 Ca 0.27 -1.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 3hae s HIS 93 Cb -0.18 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.92 3hae s HIS 93 CO 0.16 -0.22 -0.09 0.99 -0.85 0.00 0.00 174.74 174.74 3hae s THR 94 N -3.68 0.87 -0.05 1.30 2.01 -1.26 -1.11 115.64 113.73 3hae s THR 94 Ca 0.19 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 3hae s THR 94 Cb 0.06 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3hae s THR 94 CO 0.01 0.30 0.08 0.68 -0.69 0.00 0.00 174.62 174.99 3hae s VAL 95 N 0.73 4.83 -0.03 3.82 -7.23 -0.60 -1.02 120.40 120.90 3hae s VAL 95 Ca -0.13 -0.23 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3hae s VAL 95 Cb -0.15 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.66 3hae s VAL 95 CO 0.02 0.46 -0.03 -1.10 -0.31 0.00 0.00 175.10 174.14 3hae s GLN 96 N -1.41 0.55 -0.01 4.82 -0.21 -0.63 -1.07 119.66 121.70 3hae s GLN 96 Ca 0.19 -0.08 0.04 0.00 0.02 0.00 0.00 55.36 55.53 3hae s GLN 96 Cb -0.12 -0.60 -0.01 0.00 1.00 0.00 0.00 33.01 33.29 3hae s GLN 96 CO 0.09 -0.04 -0.12 0.50 -2.12 0.00 0.00 175.29 173.61 3hae s ARG 97 N 0.62 1.06 -0.06 2.91 3.52 -0.54 -0.46 118.95 126.00 3hae s ARG 97 Ca -0.07 -0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 3hae s ARG 97 Cb -0.10 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 3hae s ARG 97 CO -0.00 0.25 0.15 1.41 -0.81 0.00 0.00 175.30 176.30 3hae s MET 98 N -0.21 0.14 0.21 5.12 1.75 -0.53 -0.72 119.30 125.06 3hae s MET 98 Ca 0.03 0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.66 3hae s MET 98 Cb -0.06 -0.04 -0.01 0.00 2.84 0.00 0.00 34.83 37.57 3hae s MET 98 CO -0.00 -0.09 0.38 1.52 -0.65 0.00 0.00 175.02 176.18 3hae s TYR 99 N 0.60 0.42 -5.00 4.11 -0.85 -0.97 -0.74 117.35 114.92 3hae s TYR 99 Ca -0.04 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.74 3hae s TYR 99 Cb -0.06 0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.33 3hae s TYR 99 CO -0.03 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.55 3hae n GLY 100 N -0.31 -0.44 3.30 5.49 0.00 -0.94 -1.11 105.19 111.17 3hae n GLY 100 Ca -0.04 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.72 4.47 0.16 0.00 1.01 -0.21 -1.72 116.67 118.67 3hae s ASP 102 Ca -0.08 -0.30 0.06 0.00 0.71 0.00 0.00 52.55 52.94 3hae s ASP 102 Cb -0.02 -0.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.94 3hae s ASP 102 CO 0.01 0.22 -0.13 0.68 0.21 0.00 0.00 175.17 176.15 3hae s VAL 103 N -1.13 1.44 0.26 -1.27 -7.23 -0.33 -0.58 120.40 111.56 3hae s VAL 103 Ca 0.20 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3hae s VAL 103 Cb -0.11 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.07 3hae s VAL 103 CO 0.12 -0.57 0.35 0.61 -0.31 0.00 0.00 175.10 175.29 3hae n GLY 104 N -0.01 -0.90 0.31 2.32 0.00 -0.74 -2.00 105.19 104.17 3hae n GLY 104 Ca -0.11 -1.73 0.21 0.00 0.00 0.00 0.00 46.02 44.39 3hae n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hae h SER 105 N -0.43 0.00 0.00 1.61 0.02 -1.91 0.15 113.55 112.99 3hae h SER 105 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3hae h SER 105 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3hae h SER 105 CO 0.09 0.00 -0.05 -0.90 -1.14 0.00 0.00 176.83 174.82 3hae n ASP 106 N -2.95 1.96 -0.24 3.07 5.68 -1.26 -4.82 116.55 117.99 3hae n ASP 106 Ca -0.03 -1.60 -0.03 0.00 -0.50 0.00 0.00 54.79 52.63 3hae n ASP 106 Cb 0.08 0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 3hae n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3hae n TRP 107 N 0.46 0.00 -2.88 2.11 7.02 0.52 -5.00 117.44 119.66 3hae n TRP 107 Ca 0.16 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.29 3hae n TRP 107 Cb 0.44 -1.34 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 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 -1.58 4.40 0.42 -0.99 3.00 -1.26 -4.77 118.95 118.17 3hae s ARG 108 Ca 0.00 1.14 -0.25 0.00 -1.00 0.00 0.00 55.73 55.62 3hae s ARG 108 Cb 0.00 -2.67 -0.10 0.00 0.00 0.00 0.00 34.95 32.18 3hae s ARG 108 CO 0.00 0.24 1.09 0.34 0.00 0.00 0.00 175.30 176.97 3hae n PHE 109 N 0.29 1.47 0.01 5.12 7.35 -1.26 -1.80 117.46 128.64 3hae n PHE 109 Ca 0.02 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 3hae n PHE 109 Cb 0.51 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.07 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 0.38 0.06 -3.67 -2.13 7.94 0.26 -4.74 117.00 115.10 3hae n LEU 110 Ca 0.09 0.03 -0.15 0.00 -1.11 0.00 0.00 56.01 54.87 3hae n LEU 110 Cb 0.39 -0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.26 3hae n LEU 110 CO 0.57 -0.25 0.18 -0.13 -1.11 0.00 0.00 177.39 176.65 3hae s ARG 111 N -2.00 0.81 0.15 1.96 0.52 -1.00 -4.98 118.95 114.41 3hae s ARG 111 Ca 0.00 -0.00 0.10 0.00 -0.52 0.00 0.00 55.73 55.31 3hae s ARG 111 Cb 0.00 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.80 3hae s ARG 111 CO 0.00 -0.23 -0.24 0.20 0.02 0.00 0.00 175.30 175.05 3hae s GLY 112 N -1.24 1.52 0.03 -3.53 0.00 -1.26 -1.04 107.32 101.79 3hae s GLY 112 Ca -0.12 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.18 3hae s GLY 112 CO 0.06 -1.48 -0.16 -0.19 0.00 0.00 0.00 173.10 171.33 3hae s TYR 113 N -1.40 1.40 -0.30 1.90 1.51 0.11 -4.88 117.35 115.70 3hae s TYR 113 Ca 0.15 -0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 55.79 3hae s TYR 113 Cb -0.09 -0.85 0.14 0.00 -0.11 0.00 0.00 41.96 41.05 3hae s TYR 113 CO 0.07 0.03 0.67 -1.58 -1.11 0.00 0.00 175.55 173.63 3hae s HIS 114 N -0.70 -1.33 0.21 2.71 2.46 -1.26 -2.21 115.29 115.17 3hae s HIS 114 Ca 0.04 2.12 -0.10 0.00 0.47 0.00 0.00 55.06 57.59 3hae s HIS 114 Cb -0.08 0.73 -0.01 0.00 -0.13 0.00 0.00 32.58 33.10 3hae s HIS 114 CO 0.01 -0.68 0.38 1.14 -2.47 0.00 0.00 174.74 173.12 3hae s GLN 115 N 2.86 1.38 -0.18 2.88 -2.07 0.09 -0.72 119.66 123.89 3hae s GLN 115 Ca -0.01 -1.26 -0.07 0.00 -1.82 0.00 0.00 55.36 52.20 3hae s GLN 115 Cb -0.12 0.42 0.08 0.00 -1.09 0.00 0.00 33.01 32.29 3hae s GLN 115 CO -0.19 -0.54 0.40 -0.47 -1.32 0.00 0.00 175.29 173.16 3hae s TYR 116 N -4.01 -0.68 0.07 9.60 6.14 -0.33 -1.45 117.35 126.69 3hae s TYR 116 Ca 0.22 1.36 0.08 0.00 0.64 0.00 0.00 57.07 59.38 3hae s TYR 116 Cb 0.01 0.25 -0.03 0.00 0.42 0.00 0.00 41.96 42.61 3hae s TYR 116 CO 0.06 -0.41 -0.20 0.00 0.64 0.00 0.00 175.55 175.64 3hae s ALA 117 N 2.12 2.57 -0.03 3.97 0.00 0.40 -0.45 121.76 130.33 3hae s ALA 117 Ca -0.04 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.72 3hae s ALA 117 Cb -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 3hae s ALA 117 CO -0.12 0.57 -0.25 -0.47 0.00 0.00 0.00 175.76 175.49 3hae s TYR 118 N -0.99 2.31 -0.40 0.00 5.04 -0.50 -1.60 117.35 121.20 3hae s TYR 118 Ca 0.15 -0.49 -0.06 0.00 -2.44 0.00 0.00 57.07 54.23 3hae s TYR 118 Cb -0.10 -1.49 0.01 0.00 0.35 0.00 0.00 41.96 40.72 3hae s TYR 118 CO 0.07 -0.08 0.11 -0.25 -1.34 0.00 0.00 175.55 174.06 3hae n ASP 119 N 2.56 -0.53 -0.39 4.32 8.00 -0.19 -1.40 116.55 128.93 3hae n ASP 119 Ca -0.16 -0.38 -0.05 0.00 0.71 0.00 0.00 54.79 54.90 3hae n ASP 119 Cb 0.51 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.37 0.75 3.22 0.44 0.00 -1.26 -5.01 105.19 101.97 3hae n GLY 120 Ca -0.06 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3hae n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s LYS 121 N -2.02 0.97 0.94 1.61 -2.85 -0.49 -5.13 119.74 112.77 3hae s LYS 121 Ca 0.00 -1.23 -0.12 0.00 -1.00 0.00 0.00 55.97 53.62 3hae s LYS 121 Cb 0.00 -0.76 0.09 0.00 -2.06 0.00 0.00 37.83 35.10 3hae s LYS 121 CO 0.00 0.13 0.71 -0.25 0.10 0.00 0.00 175.35 176.04 3hae n ASP 122 N 0.47 -1.10 0.08 0.03 8.00 -1.26 -1.41 116.55 121.36 3hae n ASP 122 Ca -0.15 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3hae n ASP 122 Cb 0.58 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 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 -3.89 -1.32 -3.77 1.24 9.36 0.40 -4.38 117.16 114.80 3hae n TYR 123 Ca 0.09 0.23 -0.13 0.00 3.32 0.00 0.00 57.90 61.41 3hae n TYR 123 Cb 0.53 0.40 -0.10 0.00 -0.63 0.00 0.00 39.34 39.55 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 -2.00 0.04 -0.05 2.97 2.07 -0.90 -1.20 121.20 122.12 3hae s ILE 124 Ca 0.00 -0.30 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 3hae s ILE 124 Cb 0.00 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 42.07 3hae s ILE 124 CO 0.00 -0.16 0.26 0.00 -1.91 0.00 0.00 174.94 173.13 3hae s ALA 125 N -0.73 -0.65 -0.23 1.50 0.00 -0.63 -1.19 121.76 119.84 3hae s ALA 125 Ca -0.08 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 3hae s ALA 125 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3hae s ALA 125 CO 0.03 -0.19 0.86 -1.17 0.00 0.00 0.00 175.76 175.29 3hae s LEU 126 N -0.64 4.09 1.13 0.00 2.96 0.10 -1.17 118.68 125.14 3hae s LEU 126 Ca -0.07 1.10 -0.15 0.00 -0.22 0.00 0.00 54.13 54.78 3hae s LEU 126 Cb -0.04 -3.25 0.19 0.00 0.50 0.00 0.00 46.19 43.59 3hae s LEU 126 CO 0.02 -0.53 0.54 0.29 -1.32 0.00 0.00 176.35 175.35 3hae n LYS 127 N 5.99 -1.87 0.27 1.98 5.02 -0.00 -4.53 118.16 125.02 3hae n LYS 127 Ca 0.06 -0.52 0.10 0.00 -2.02 0.00 0.00 58.31 55.94 3hae n LYS 127 Cb 0.47 -1.95 0.72 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.32 0.00 0.00 1.97 4.81 -1.89 -1.79 114.58 115.36 3hae h GLU 128 Ca -0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3hae h GLU 128 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3hae h GLU 128 CO 0.43 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.35 3hae n ASP 129 N -4.20 0.00 -3.47 1.04 5.68 -1.26 -4.74 116.55 109.60 3hae n ASP 129 Ca -0.03 -1.00 -0.24 0.00 -0.50 0.00 0.00 54.79 53.03 3hae n ASP 129 Cb 0.13 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.94 -1.18 0.00 -2.12 4.77 -0.67 -4.74 117.00 112.11 3hae n LEU 130 Ca 0.19 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3hae n LEU 130 Cb 0.09 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 3hae n LEU 130 CO 0.14 0.12 -0.19 0.54 -1.33 0.00 0.00 177.39 176.68 3hae n ARG 131 N -3.61 2.88 -4.38 3.23 1.74 -1.26 -4.65 116.66 110.62 3hae n ARG 131 Ca 0.01 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.90 3hae n ARG 131 Cb 0.52 -0.69 -0.10 0.00 -1.02 0.00 0.00 32.46 31.17 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 -1.13 1.76 0.23 0.55 1.04 -1.26 -4.94 113.70 109.95 3hae s SER 132 Ca 0.00 -1.40 0.09 0.00 0.48 0.00 0.00 55.95 55.13 3hae s SER 132 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3hae s SER 132 CO 0.00 -0.69 -0.05 0.26 0.98 0.00 0.00 173.24 173.74 3hae s TRP 133 N -3.54 2.65 -0.20 5.02 0.52 -1.26 -0.82 118.94 121.31 3hae s TRP 133 Ca 0.37 -0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 3hae s TRP 133 Cb 0.08 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 31.18 3hae s TRP 133 CO 0.15 0.58 -0.13 0.99 0.02 0.00 0.00 176.95 178.56 3hae s THR 134 N -2.06 2.61 -0.13 2.01 2.01 -0.32 -4.82 115.64 114.94 3hae s THR 134 Ca 0.29 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 3hae s THR 134 Cb -0.07 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3hae s THR 134 CO 0.18 0.47 0.28 0.00 -0.69 0.00 0.00 174.62 174.86 3hae s ALA 135 N 1.36 3.65 0.16 7.40 0.00 -1.26 -1.60 121.76 131.47 3hae s ALA 135 Ca 0.05 -0.46 0.21 0.00 0.00 0.00 0.00 51.96 51.76 3hae s ALA 135 Cb -0.14 -2.32 0.79 0.00 0.00 0.00 0.00 23.12 21.44 3hae s ALA 135 CO -0.09 0.22 1.78 0.00 0.00 0.00 0.00 175.76 177.67 3hae h ALA 136 N 6.18 1.02 -2.02 0.00 0.00 -1.46 -3.48 119.26 119.50 3hae h ALA 136 Ca -0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hae h ALA 136 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hae h ALA 136 CO 0.71 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.95 3hae n ASP 137 N -3.49 0.00 -0.13 0.00 3.85 -1.26 -5.04 116.55 110.48 3hae n ASP 137 Ca -0.00 -0.95 -0.12 0.00 -0.71 0.00 0.00 54.79 53.01 3hae n ASP 137 Cb 0.47 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.22 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 0.79 -0.50 0.11 4.05 -1.99 -2.85 114.93 114.55 3hae h MET 138 Ca 0.00 -0.35 0.02 0.00 -0.28 0.00 0.00 59.70 59.09 3hae h MET 138 Cb 0.00 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 3hae h MET 138 CO 0.00 0.97 0.31 0.00 0.23 0.00 0.00 176.91 178.42 3hae h ALA 139 N 0.80 0.63 0.00 0.39 0.00 -1.97 -1.24 119.26 117.88 3hae h ALA 139 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hae h ALA 139 Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hae h ALA 139 CO 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 3hae h ALA 140 N 1.21 1.04 -0.47 0.00 0.00 -1.80 -1.82 119.26 117.43 3hae h ALA 140 Ca 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hae h ALA 140 Cb -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hae h ALA 140 CO -0.07 0.00 0.21 0.37 0.00 0.00 0.00 179.25 179.75 3hae h GLN 141 N 0.00 0.66 -0.24 0.00 5.75 -1.03 0.16 115.11 120.40 3hae h GLN 141 Ca -0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3hae h GLN 141 Cb 0.03 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3hae h GLN 141 CO 0.00 0.53 0.15 1.15 -2.65 0.00 0.00 178.83 178.01 3hae h THR 142 N 0.66 1.08 0.54 2.39 2.02 -1.42 0.17 112.91 118.34 3hae h THR 142 Ca 0.16 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3hae h THR 142 Cb 0.10 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3hae h THR 142 CO -0.02 0.08 -0.26 0.74 0.37 0.00 0.00 175.52 176.43 3hae h THR 143 N 0.31 0.47 -0.69 3.16 2.02 -1.43 -1.82 112.91 114.93 3hae h THR 143 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3hae h THR 143 Cb -0.00 0.47 -0.10 0.00 -1.74 0.00 0.00 68.15 66.78 3hae h THR 143 CO -0.02 0.00 0.15 0.50 0.37 0.00 0.00 175.52 176.53 3hae h LYS 144 N -0.72 0.25 -0.60 6.66 3.64 -0.47 0.18 116.57 125.51 3hae h LYS 144 Ca -0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3hae h LYS 144 Cb 0.55 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3hae h LYS 144 CO 0.12 0.17 0.27 1.25 -2.27 0.00 0.00 179.45 178.99 3hae h HIS 145 N 0.26 0.88 0.37 1.91 2.76 -0.89 0.92 115.15 121.36 3hae h HIS 145 Ca 0.38 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 3hae h HIS 145 Cb 0.63 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3hae h HIS 145 CO -0.27 0.68 -0.43 -0.22 -1.30 0.00 0.00 177.93 176.40 3hae h LYS 146 N 0.82 -0.79 0.00 5.26 1.63 -0.12 -2.19 116.57 121.19 3hae h LYS 146 Ca 0.20 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3hae h LYS 146 Cb 0.15 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3hae h LYS 146 CO -0.02 -0.52 -0.01 -1.49 -3.45 0.00 0.00 179.45 173.96 3hae h TRP 147 N -0.82 0.00 0.12 1.91 4.06 -0.58 -0.66 115.95 119.98 3hae h TRP 147 Ca -0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 3hae h TRP 147 Cb 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3hae h TRP 147 CO -0.26 0.01 -0.06 0.93 -3.56 0.00 0.00 178.44 175.50 3hae h GLU 148 N 0.00 -0.15 -0.69 0.49 5.08 -0.58 -2.07 114.58 116.66 3hae h GLU 148 Ca -0.00 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3hae h GLU 148 Cb 0.17 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 3hae h GLU 148 CO 0.00 0.33 0.26 0.00 -1.00 0.00 0.00 179.01 178.61 3hae h ALA 149 N -0.24 0.93 0.00 3.43 0.00 -0.98 -1.58 119.26 120.81 3hae h ALA 149 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hae h ALA 149 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hae h ALA 149 CO 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3hae n ALA 150 N -2.50 2.27 -2.26 0.00 0.00 -0.29 -4.89 120.51 112.83 3hae n ALA 150 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 3hae n ALA 150 Cb 0.35 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.02 -1.23 -0.30 0.00 -0.00 -0.60 -4.87 115.22 107.21 3hae n HIS 151 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.00 3hae n HIS 151 Cb 0.08 -2.75 0.29 0.00 -0.00 0.00 0.00 29.99 27.61 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 0.00 0.40 -0.10 1.59 2.07 -1.62 -2.72 116.25 115.86 3hae h VAL 152 Ca -0.29 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3hae h VAL 152 Cb 1.15 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hae h VAL 152 CO 0.36 0.05 0.06 0.00 0.02 0.00 0.00 177.57 178.06 3hae h ALA 153 N 1.73 0.13 -0.98 1.67 0.00 -1.90 -2.00 119.26 117.92 3hae h ALA 153 Ca 0.54 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.57 3hae h ALA 153 Cb 1.06 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 3hae h ALA 153 CO -0.59 -0.34 -0.34 0.39 0.00 0.00 0.00 179.25 178.37 3hae n GLU 154 N -4.97 -0.19 0.08 0.00 4.71 -1.03 0.12 120.64 119.36 3hae n GLU 154 Ca -0.05 1.52 -0.13 0.00 -0.01 0.00 0.00 57.16 58.48 3hae n GLU 154 Cb 0.06 -2.25 -0.08 0.00 -1.01 0.00 0.00 31.44 28.16 3hae n GLU 154 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3hae h GLN 155 N 0.00 -0.18 -0.74 3.49 7.50 -1.47 -2.28 115.11 121.43 3hae h GLN 155 Ca 0.38 0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.71 3hae h GLN 155 Cb 0.62 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 28.07 3hae h GLN 155 CO -0.98 0.07 0.00 -0.07 -1.50 0.00 0.00 178.83 176.35 3hae h LEU 156 N -0.43 -0.34 -0.08 1.46 -0.00 -0.37 -2.31 115.31 113.25 3hae h LEU 156 Ca -0.02 0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3hae h LEU 156 Cb 0.34 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 3hae h LEU 156 CO 0.03 -0.17 0.04 -0.09 -0.00 0.00 0.00 178.44 178.25 3hae h ARG 157 N 0.10 0.11 -0.98 1.13 2.43 0.12 0.73 114.38 118.02 3hae h ARG 157 Ca 0.41 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.66 3hae h ARG 157 Cb 0.71 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 3hae h ARG 157 CO -0.65 0.13 0.62 0.00 -1.51 0.00 0.00 179.97 178.56 3hae h ALA 158 N 0.97 1.52 0.47 2.80 0.00 -0.93 0.30 119.26 124.38 3hae h ALA 158 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hae h ALA 158 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hae h ALA 158 CO -0.00 0.28 -0.23 -0.92 0.00 0.00 0.00 179.25 178.38 3hae h TYR 159 N 1.02 -0.59 -0.33 0.00 3.20 -0.82 -1.53 116.97 117.93 3hae h TYR 159 Ca 0.46 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.32 3hae h TYR 159 Cb 0.37 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3hae h TYR 159 CO -0.00 -0.26 0.20 -0.07 -1.64 0.00 0.00 178.16 176.39 3hae h LEU 160 N -0.94 0.34 -1.36 2.82 3.38 -0.33 0.57 115.31 119.79 3hae h LEU 160 Ca -0.06 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hae h LEU 160 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hae h LEU 160 CO 0.11 0.25 -0.32 -0.33 0.09 0.00 0.00 178.44 178.24 3hae h GLU 161 N 0.42 0.00 0.00 1.13 5.08 -0.50 -3.35 114.58 117.35 3hae h GLU 161 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hae h GLU 161 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hae h GLU 161 CO -0.05 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 3hae n GLY 162 N -0.50 0.39 0.27 -3.84 0.00 -0.58 -4.62 105.19 96.32 3hae n GLY 162 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.32 -0.21 2.61 2.02 -1.41 0.10 112.91 116.34 3hae h THR 163 Ca 0.00 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.21 3hae h THR 163 Cb 0.00 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 66.59 3hae h THR 163 CO 0.00 0.01 -0.23 0.00 0.37 0.00 0.00 175.52 175.67 3hae h VAL 165 N -0.25 0.92 -0.31 0.00 -1.51 -0.99 -2.02 116.25 112.10 3hae h VAL 165 Ca 0.13 -1.70 -0.15 0.00 -1.23 0.00 0.00 66.70 63.75 3hae h VAL 165 Cb 0.44 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 3hae h VAL 165 CO -0.36 0.41 -0.40 -0.33 -1.23 0.00 0.00 177.57 175.67 3hae h GLU 166 N 0.00 0.74 0.00 5.19 5.08 -0.76 -0.18 114.58 124.65 3hae h GLU 166 Ca -0.00 -0.38 -0.25 0.00 -1.00 0.00 0.00 59.36 57.72 3hae h GLU 166 Cb 1.00 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3hae h GLU 166 CO 0.05 1.00 -1.01 -1.49 -1.00 0.00 0.00 179.01 176.57 3hae h TRP 167 N 0.60 0.90 -0.26 4.33 4.06 -1.13 -1.16 115.95 123.30 3hae h TRP 167 Ca 0.05 -0.49 0.04 0.00 2.06 0.00 0.00 58.89 60.55 3hae h TRP 167 Cb 0.95 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.96 3hae h TRP 167 CO 0.05 1.32 -0.00 1.25 -3.56 0.00 0.00 178.44 177.50 3hae h LEU 168 N 0.34 -0.11 -0.36 -4.49 5.85 -1.30 0.70 115.31 115.93 3hae h LEU 168 Ca -0.11 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3hae h LEU 168 Cb 1.66 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.71 3hae h LEU 168 CO 0.19 -0.02 -0.24 0.03 -0.34 0.00 0.00 178.44 178.06 3hae h ARG 169 N 0.08 -0.18 0.09 1.25 3.08 -0.83 0.24 114.38 118.11 3hae h ARG 169 Ca 0.12 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3hae h ARG 169 Cb 0.16 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3hae h ARG 169 CO -0.21 -0.12 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.21 3hae h ARG 170 N -0.19 -0.44 -0.40 0.04 2.43 -0.68 -1.24 114.38 113.90 3hae h ARG 170 Ca 0.18 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 3hae h ARG 170 Cb 0.47 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 3hae h ARG 170 CO -0.48 -0.30 -0.16 1.88 -1.51 0.00 0.00 179.97 179.41 3hae h TYR 171 N -0.46 -0.38 -0.58 2.20 0.05 -0.41 0.19 116.97 117.57 3hae h TYR 171 Ca 0.04 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.87 3hae h TYR 171 Cb 0.50 0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 3hae h TYR 171 CO -0.26 -0.24 0.37 -0.07 -1.05 0.00 0.00 178.16 176.91 3hae h LEU 172 N -0.08 0.63 0.23 3.88 3.38 -0.56 0.51 115.31 123.30 3hae h LEU 172 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hae h LEU 172 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hae h LEU 172 CO -0.45 0.45 -0.11 -0.33 0.09 0.00 0.00 178.44 178.09 3hae h GLU 173 N 0.75 -0.30 -0.26 1.13 5.08 -0.31 0.85 114.58 121.52 3hae h GLU 173 Ca 0.22 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3hae h GLU 173 Cb -0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hae h GLU 173 CO -0.07 -0.19 -0.10 -0.91 -1.00 0.00 0.00 179.01 176.74 3hae h ASN 174 N -0.32 0.40 -0.49 1.42 -0.26 0.17 -2.39 115.58 114.11 3hae h ASN 174 Ca -0.03 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3hae h ASN 174 Cb 0.24 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3hae h ASN 174 CO 0.05 0.54 0.00 0.61 -1.06 0.00 0.00 177.43 177.57 3hae n GLY 175 N -0.77 1.89 0.31 2.83 0.00 0.17 -4.66 105.19 104.95 3hae n GLY 175 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 3hae n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hae n LYS 176 N 0.83 -0.21 -0.27 1.61 3.00 0.27 -0.29 118.16 123.10 3hae n LYS 176 Ca 0.19 1.22 0.09 0.00 -0.00 0.00 0.00 58.31 59.80 3hae n LYS 176 Cb 0.63 -1.81 0.22 0.00 0.00 0.00 0.00 35.03 34.07 3hae n LYS 176 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3hae h GLU 177 N 0.00 0.22 0.00 1.64 4.81 -1.86 -2.96 114.58 116.44 3hae h GLU 177 Ca 0.26 -0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 59.09 3hae h GLU 177 Cb 0.46 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 3hae h GLU 177 CO -0.78 0.15 -2.36 0.25 -0.73 0.00 0.00 179.01 175.53 3hae n THR 178 N -5.21 1.36 0.16 0.32 -2.24 -0.11 -4.29 114.28 104.28 3hae n THR 178 Ca 0.17 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3hae n THR 178 Cb 0.55 -1.57 0.19 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.42 0.00 -3.11 3.22 3.38 -0.69 -3.00 115.31 114.68 3hae h LEU 179 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3hae h LEU 179 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3hae h LEU 179 CO -0.22 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3hae n GLN 180 N -3.39 2.95 -1.78 1.13 10.64 -1.12 -4.93 117.38 120.88 3hae n GLN 180 Ca 0.01 -2.53 -0.33 0.00 -1.83 0.00 0.00 57.00 52.31 3hae n GLN 180 Cb 0.62 -1.62 0.05 0.00 -0.86 0.00 0.00 30.24 28.43 3hae n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 3hae s ARG 181 N -2.08 2.80 -0.08 2.61 1.70 -1.14 -5.05 118.95 117.71 3hae s ARG 181 Ca 0.35 1.44 0.01 0.00 -0.47 0.00 0.00 55.73 57.06 3hae s ARG 181 Cb 0.25 -1.95 0.02 0.00 -0.57 0.00 0.00 34.95 32.71 3hae s ARG 181 CO 0.12 -1.26 -0.09 0.95 -1.08 0.00 0.00 175.30 173.94 3hae s THR 182 N -2.26 0.97 -0.45 4.99 -4.23 -1.26 -4.71 115.64 108.68 3hae s THR 182 Ca 0.68 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 3hae s THR 182 Cb -0.22 -0.95 0.06 0.00 1.34 0.00 0.00 72.50 72.73 3hae s THR 182 CO 0.40 0.34 0.37 -1.81 -0.54 0.00 0.00 174.62 173.38 3hae s ASP 183 N 1.20 6.14 0.52 3.99 1.01 0.19 -4.88 116.67 124.84 3hae s ASP 183 Ca -0.05 -1.19 -0.22 0.00 0.71 0.00 0.00 52.55 51.80 3hae s ASP 183 Cb -0.14 -2.18 -0.07 0.00 1.01 0.00 0.00 42.92 41.54 3hae s ASP 183 CO -0.02 -0.59 1.14 0.00 0.21 0.00 0.00 175.17 175.91 3hae n ALA 184 N 5.21 0.78 -1.76 5.23 0.00 -1.26 -1.75 120.51 126.95 3hae n ALA 184 Ca -0.12 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 3hae n ALA 184 Cb 0.45 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3hae n ALA 184 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hae s PRO 185 N -2.56 4.49 -0.10 0.00 0.02 -1.26 -4.53 135.00 131.06 3hae s PRO 185 Ca 0.70 1.98 -0.25 0.00 0.02 0.00 0.00 61.00 63.45 3hae s PRO 185 Cb -0.46 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 3hae s PRO 185 CO 0.51 0.01 0.80 0.15 -0.33 0.00 0.00 177.00 178.14 3hae s LYS 186 N -1.64 4.39 0.01 5.54 1.02 -0.17 -4.87 119.74 124.03 3hae s LYS 186 Ca 0.47 1.02 0.07 0.00 0.02 0.00 0.00 55.97 57.54 3hae s LYS 186 Cb -0.35 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 3hae s LYS 186 CO 0.46 -0.12 -0.20 0.95 -0.92 0.00 0.00 175.35 175.52 3hae s THR 187 N 1.41 1.59 0.25 2.17 -4.23 -1.26 -0.48 115.64 115.10 3hae s THR 187 Ca 0.40 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.73 3hae s THR 187 Cb -0.18 -1.35 0.01 0.00 1.34 0.00 0.00 72.50 72.32 3hae s THR 187 CO 0.17 0.32 0.58 -1.38 -0.54 0.00 0.00 174.62 173.78 3hae s HIS 188 N -0.62 0.06 -0.02 3.99 -3.43 -1.11 -5.00 115.29 109.14 3hae s HIS 188 Ca 0.07 -0.46 0.05 0.00 -0.80 0.00 0.00 55.06 53.92 3hae s HIS 188 Cb -0.08 0.44 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 3hae s HIS 188 CO 0.00 -1.08 -0.16 1.41 -2.00 0.00 0.00 174.74 172.91 3hae s MET 189 N -3.96 1.46 0.35 -0.38 1.75 -1.26 -0.85 119.30 116.42 3hae s MET 189 Ca 0.16 -0.58 0.08 0.00 -1.25 0.00 0.00 55.69 54.11 3hae s MET 189 Cb -0.03 -1.35 -0.05 0.00 2.84 0.00 0.00 34.83 36.24 3hae s MET 189 CO 0.06 0.30 0.08 0.95 -0.65 0.00 0.00 175.02 175.77 3hae s THR 190 N -0.20 2.75 -0.07 10.11 -4.23 0.34 -4.94 115.64 119.41 3hae s THR 190 Ca 0.02 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3hae s THR 190 Cb -0.08 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3hae s THR 190 CO 0.00 -0.17 0.14 -2.28 -0.54 0.00 0.00 174.62 171.77 3hae s HIS 191 N -2.49 -0.14 -0.10 3.99 5.04 -1.26 -1.43 115.29 118.89 3hae s HIS 191 Ca 0.37 0.52 0.01 0.00 -1.54 0.00 0.00 55.06 54.41 3hae s HIS 191 Cb -0.01 -0.22 0.02 0.00 0.04 0.00 0.00 32.58 32.41 3hae s HIS 191 CO 0.21 -0.22 -0.12 -1.01 -2.34 0.00 0.00 174.74 171.26 3hae s HIS 192 N 1.84 1.74 -0.47 3.88 3.76 -0.59 -4.99 115.29 120.47 3hae s HIS 192 Ca -0.02 -0.82 -0.28 0.00 -0.15 0.00 0.00 55.06 53.80 3hae s HIS 192 Cb -0.12 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 3hae s HIS 192 CO -0.05 -0.46 1.74 0.00 -0.85 0.00 0.00 174.74 175.11 3hae s ALA 193 N 1.15 2.62 0.36 -1.40 0.00 -1.26 -1.15 121.76 122.08 3hae s ALA 193 Ca -0.04 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 51.78 3hae s ALA 193 Cb -0.14 -4.12 0.67 0.00 0.00 0.00 0.00 23.12 19.52 3hae s ALA 193 CO -0.03 -3.11 1.83 0.28 0.00 0.00 0.00 175.76 174.74 3hae h VAL 194 N 6.75 1.23 -2.04 0.00 2.07 -1.79 -3.48 116.25 118.99 3hae h VAL 194 Ca -0.29 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.16 3hae h VAL 194 Cb 1.15 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3hae h VAL 194 CO 1.12 0.33 0.14 -1.54 0.02 0.00 0.00 177.57 177.64 3hae n SER 195 N -4.17 -0.60 -0.17 0.57 3.41 -1.09 -4.95 113.62 106.62 3hae n SER 195 Ca -0.01 -1.36 0.21 0.00 -0.26 0.00 0.00 58.87 57.45 3hae n SER 195 Cb 0.36 0.98 0.59 0.00 -0.26 0.00 0.00 64.21 65.88 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 0.60 0.24 0.00 4.04 3.45 -2.03 -3.27 116.42 119.44 3hae h ASP 196 Ca -0.09 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.36 3hae h ASP 196 Cb 0.37 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3hae h ASP 196 CO 0.12 0.10 -1.68 1.41 -1.57 0.00 0.00 179.24 177.62 3hae n HIS 197 N -4.42 0.00 -4.25 4.55 8.25 -1.26 -4.78 115.22 113.31 3hae n HIS 197 Ca 0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 3hae n HIS 197 Cb 0.72 -0.36 -0.11 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.92 1.05 -0.08 -0.41 2.02 -1.24 -1.19 118.70 115.94 3hae s GLU 198 Ca -0.05 -1.33 -0.12 0.00 0.02 0.00 0.00 54.97 53.49 3hae s GLU 198 Cb 0.09 -0.81 0.03 0.00 0.10 0.00 0.00 34.13 33.53 3hae s GLU 198 CO 0.59 0.14 0.30 0.00 0.02 0.00 0.00 175.26 176.30 3hae s ALA 199 N -2.60 -0.74 -0.06 5.21 0.00 -0.18 -2.25 121.76 121.15 3hae s ALA 199 Ca 0.12 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 3hae s ALA 199 Cb -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3hae s ALA 199 CO 0.02 -0.18 0.56 0.99 0.00 0.00 0.00 175.76 177.15 3hae s THR 200 N -0.39 5.04 -0.26 0.00 2.01 -0.30 -0.69 115.64 121.06 3hae s THR 200 Ca -0.05 1.16 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 3hae s THR 200 Cb -0.03 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 3hae s THR 200 CO 0.02 0.36 0.02 -0.76 -0.69 0.00 0.00 174.62 173.57 3hae s LEU 201 N 0.24 3.42 -0.14 4.42 1.43 0.53 -1.54 118.68 127.04 3hae s LEU 201 Ca 0.30 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3hae s LEU 201 Cb -0.17 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3hae s LEU 201 CO 0.15 -0.11 -0.14 -0.60 0.23 0.00 0.00 176.35 175.88 3hae s ARG 202 N 1.49 3.29 -0.22 1.70 3.52 -0.52 -1.57 118.95 126.64 3hae s ARG 202 Ca 0.04 -0.72 -0.06 0.00 -0.13 0.00 0.00 55.73 54.85 3hae s ARG 202 Cb -0.16 -2.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 3hae s ARG 202 CO 0.00 0.12 0.04 0.00 -0.81 0.00 0.00 175.30 174.65 3hae s TRP 204 N 1.27 2.80 -0.29 0.00 0.52 -0.03 -1.22 118.94 121.99 3hae s TRP 204 Ca 0.04 -0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.02 3hae s TRP 204 Cb -0.15 -1.51 0.11 0.00 -1.15 0.00 0.00 33.47 30.77 3hae s TRP 204 CO 0.02 0.40 0.16 0.00 0.02 0.00 0.00 176.95 177.55 3hae s ALA 205 N -1.12 0.42 0.23 0.98 0.00 -0.78 -2.77 121.76 118.72 3hae s ALA 205 Ca 0.20 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3hae s ALA 205 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3hae s ALA 205 CO 0.11 -1.66 0.10 -0.51 0.00 0.00 0.00 175.76 173.80 3hae s LEU 206 N 2.15 3.55 -1.29 0.00 1.43 0.37 -1.57 118.68 123.32 3hae s LEU 206 Ca 0.09 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3hae s LEU 206 Cb -0.16 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 3hae s LEU 206 CO -0.36 0.01 0.65 -0.24 0.23 0.00 0.00 176.35 176.64 3hae n SER 207 N -0.79 -1.82 -4.55 2.29 2.88 -0.38 -1.00 113.62 110.25 3hae n SER 207 Ca -0.08 -0.90 -0.24 0.00 -1.33 0.00 0.00 58.87 56.33 3hae n SER 207 Cb 0.57 -3.74 -0.09 0.00 -0.75 0.00 0.00 64.21 60.21 3hae n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hae s PHE 208 N -3.70 2.49 -0.25 0.66 -0.12 -0.93 -4.56 117.98 111.57 3hae s PHE 208 Ca 0.10 -0.28 -0.15 0.00 -0.05 0.00 0.00 56.93 56.55 3hae s PHE 208 Cb -0.03 -1.11 0.07 0.00 -0.63 0.00 0.00 43.02 41.33 3hae s PHE 208 CO 0.84 0.65 0.62 -0.47 -0.05 0.00 0.00 175.22 176.80 3hae s TYR 209 N -2.32 -0.91 1.09 3.49 5.04 -0.72 -0.73 117.35 122.29 3hae s TYR 209 Ca 0.30 1.88 -0.18 0.00 -2.44 0.00 0.00 57.07 56.62 3hae s TYR 209 Cb -0.06 0.50 0.27 0.00 0.35 0.00 0.00 41.96 43.01 3hae s TYR 209 CO 0.17 -0.46 1.07 -2.30 -1.34 0.00 0.00 175.55 172.69 3hae n PRO 210 N 4.09 -2.59 0.20 4.97 -0.02 -1.26 0.55 135.00 140.94 3hae n PRO 210 Ca -0.20 -1.69 0.14 0.00 -2.02 0.00 0.00 63.50 59.72 3hae n PRO 210 Cb 0.58 -1.47 0.41 0.00 -0.02 0.00 0.00 33.50 33.00 3hae n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hae h ALA 211 N -2.49 1.00 -2.00 3.55 0.00 -1.95 -3.44 119.26 113.93 3hae h ALA 211 Ca -0.39 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 3hae h ALA 211 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hae h ALA 211 CO 0.26 0.00 1.32 -2.00 0.00 0.00 0.00 179.25 178.83 3hae s GLU 212 N -3.33 3.45 0.05 0.00 2.56 -1.26 -4.96 118.70 115.21 3hae s GLU 212 Ca 0.06 1.84 -0.08 0.00 0.00 0.00 0.00 54.97 56.79 3hae s GLU 212 Cb 0.08 -4.22 -0.00 0.00 2.00 0.00 0.00 34.13 31.98 3hae s GLU 212 CO 0.58 -1.72 0.16 -1.50 -0.56 0.00 0.00 175.26 172.21 3hae s ILE 213 N 6.76 0.13 -0.09 -3.70 2.07 -1.26 -4.52 121.20 120.60 3hae s ILE 213 Ca 0.87 -1.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.03 3hae s ILE 213 Cb -0.29 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.27 3hae s ILE 213 CO 0.34 -0.59 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.84 3hae s THR 214 N -3.00 0.75 -0.17 4.00 2.01 -0.60 -5.01 115.64 113.61 3hae s THR 214 Ca -0.02 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 3hae s THR 214 Cb 0.01 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.72 3hae s THR 214 CO -0.06 0.31 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.28 3hae s LEU 215 N 1.59 2.52 0.05 4.42 1.43 -1.26 -1.38 118.68 126.05 3hae s LEU 215 Ca 0.01 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3hae s LEU 215 Cb -0.13 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3hae s LEU 215 CO -0.05 0.06 -0.11 0.42 0.23 0.00 0.00 176.35 176.89 3hae s THR 216 N 0.98 0.87 0.02 5.49 -4.23 -0.72 -4.98 115.64 113.06 3hae s THR 216 Ca -0.02 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 3hae s THR 216 Cb -0.15 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 3hae s THR 216 CO -0.02 -0.19 0.19 0.26 -0.54 0.00 0.00 174.62 174.32 3hae s TRP 217 N -1.11 3.54 0.05 3.99 0.52 -1.26 -0.35 118.94 124.32 3hae s TRP 217 Ca -0.03 0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.44 3hae s TRP 217 Cb -0.09 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3hae s TRP 217 CO 0.01 0.62 -0.12 -0.65 0.02 0.00 0.00 176.95 176.84 3hae s GLN 218 N -2.16 0.74 -0.07 4.98 -0.21 0.23 -1.46 119.66 121.71 3hae s GLN 218 Ca 0.30 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.89 3hae s GLN 218 Cb -0.13 -0.68 0.01 0.00 1.00 0.00 0.00 33.01 33.22 3hae s GLN 218 CO 0.22 0.15 -0.13 0.50 -2.12 0.00 0.00 175.29 173.91 3hae s ARG 219 N -1.47 1.84 -1.69 2.91 3.00 -0.70 -1.21 118.95 121.63 3hae s ARG 219 Ca -0.03 -0.46 -0.19 0.00 -1.00 0.00 0.00 55.73 54.05 3hae s ARG 219 Cb -0.09 -1.52 0.17 0.00 0.00 0.00 0.00 34.95 33.51 3hae s ARG 219 CO 0.01 0.02 0.73 -0.25 0.00 0.00 0.00 175.30 175.82 3hae n ASP 220 N 3.85 -3.10 -0.56 -2.12 10.43 -0.25 -1.09 116.55 123.71 3hae n ASP 220 Ca -0.22 -0.99 -0.07 0.00 2.57 0.00 0.00 54.79 56.08 3hae n ASP 220 Cb 0.52 -2.56 -0.03 0.00 1.84 0.00 0.00 41.12 40.89 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 -1.30 0.94 3.12 0.44 0.00 -1.26 -5.03 105.19 102.09 3hae n GLY 221 Ca 0.08 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3hae n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hae s GLU 222 N -2.63 1.92 -0.23 1.61 -1.05 -0.25 -5.09 118.70 112.99 3hae s GLU 222 Ca 0.00 -0.60 -0.42 0.00 -0.15 0.00 0.00 54.97 53.81 3hae s GLU 222 Cb 0.00 -1.61 -0.18 0.00 -0.44 0.00 0.00 34.13 31.90 3hae s GLU 222 CO 0.00 0.19 1.47 -3.47 0.95 0.00 0.00 175.26 174.40 3hae n ASP 223 N 3.34 1.32 -4.15 0.83 -0.08 -1.26 -1.73 116.55 114.83 3hae n ASP 223 Ca -0.19 1.14 -0.34 0.00 -1.51 0.00 0.00 54.79 53.89 3hae n ASP 223 Cb 0.53 -1.01 -0.15 0.00 2.34 0.00 0.00 41.12 42.83 3hae n ASP 223 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 3hae s GLN 224 N 2.03 2.66 -0.21 -0.67 2.00 -0.54 -4.83 119.66 120.11 3hae s GLN 224 Ca 0.97 -1.08 -0.03 0.00 -2.00 0.00 0.00 55.36 53.21 3hae s GLN 224 Cb -1.24 -2.91 -0.12 0.00 0.80 0.00 0.00 33.01 29.54 3hae s GLN 224 CO 0.66 -0.44 -0.22 2.41 -0.50 0.00 0.00 175.29 177.21 3hae n THR 225 N 4.59 1.16 -1.64 -0.34 -1.04 -1.26 -4.32 114.28 111.43 3hae n THR 225 Ca -0.16 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.07 3hae n THR 225 Cb 0.46 -1.45 0.03 0.00 -1.82 0.00 0.00 70.33 67.55 3hae n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hae n GLN 226 N -3.44 1.33 -3.75 -2.82 6.02 -1.26 -3.29 117.38 110.17 3hae n GLN 226 Ca -0.38 0.49 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 3hae n GLN 226 Cb 0.85 -2.18 0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.06 -2.36 -4.02 1.08 8.00 -1.26 -4.90 116.55 113.03 3hae n ASP 227 Ca 0.10 -0.79 -0.28 0.00 0.71 0.00 0.00 54.79 54.53 3hae n ASP 227 Cb 0.42 -4.08 -0.17 0.00 -0.02 0.00 0.00 41.12 37.27 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 -3.55 1.37 -0.05 -3.53 2.01 -1.21 -2.46 115.64 108.22 3hae s THR 228 Ca 0.20 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 3hae s THR 228 Cb -0.10 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3hae s THR 228 CO 0.81 0.42 0.04 -0.70 -0.69 0.00 0.00 174.62 174.49 3hae s GLU 229 N 1.08 3.01 -0.10 4.92 2.12 0.45 -4.97 118.70 125.21 3hae s GLU 229 Ca -0.05 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 3hae s GLU 229 Cb -0.15 -2.83 0.05 0.00 0.26 0.00 0.00 34.13 31.47 3hae s GLU 229 CO -0.02 0.68 0.21 -1.17 -0.54 0.00 0.00 175.26 174.41 3hae s LEU 230 N -1.28 0.02 0.32 2.70 0.20 -1.26 -0.25 118.68 119.13 3hae s LEU 230 Ca 0.17 0.45 -0.02 0.00 0.69 0.00 0.00 54.13 55.43 3hae s LEU 230 Cb -0.12 0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 46.11 3hae s LEU 230 CO 0.07 -0.22 0.55 0.68 -0.29 0.00 0.00 176.35 177.14 3hae s VAL 231 N 2.04 5.07 0.27 1.68 -7.23 -0.98 -5.04 120.40 116.21 3hae s VAL 231 Ca -0.01 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 3hae s VAL 231 Cb -0.12 -3.80 -0.13 0.00 0.56 0.00 0.00 36.38 32.89 3hae s VAL 231 CO -0.07 -0.44 1.35 -0.62 -0.31 0.00 0.00 175.10 175.01 3hae n GLU 232 N -1.36 2.02 -1.70 4.82 1.02 -1.26 -4.58 120.64 119.60 3hae n GLU 232 Ca -0.03 0.71 -0.44 0.00 -0.02 0.00 0.00 57.16 57.39 3hae n GLU 232 Cb 0.55 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 3hae n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hae n THR 233 N 1.38 1.13 -4.27 2.62 -1.04 -1.26 -4.84 114.28 108.01 3hae n THR 233 Ca 0.10 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.05 61.61 3hae n THR 233 Cb 0.33 -1.62 -0.12 0.00 -1.82 0.00 0.00 70.33 67.10 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 -0.66 1.08 0.12 -2.82 1.70 0.63 -4.96 118.95 114.03 3hae s ARG 234 Ca 0.65 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.42 3hae s ARG 234 Cb -0.60 -1.20 -0.06 0.00 -0.57 0.00 0.00 34.95 32.53 3hae s ARG 234 CO 0.51 0.26 0.99 -1.25 -1.08 0.00 0.00 175.30 174.74 3hae s PRO 235 N -2.18 4.67 0.33 3.89 0.04 -1.26 -0.73 135.00 139.76 3hae s PRO 235 Ca 0.07 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.71 3hae s PRO 235 Cb -0.08 -3.36 0.56 0.00 0.04 0.00 0.00 34.50 31.65 3hae s PRO 235 CO 0.04 0.17 1.75 0.00 0.04 0.00 0.00 177.00 179.00 3hae h ALA 236 N 5.58 1.22 0.00 8.56 0.00 -1.34 -3.46 119.26 129.81 3hae h ALA 236 Ca -0.43 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hae h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hae h ALA 236 CO 0.72 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.93 3hae n GLY 237 N -0.28 0.66 1.10 0.00 0.00 -1.26 -4.93 105.19 100.48 3hae n GLY 237 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 1.96 0.00 1.61 5.75 -1.26 -4.97 116.55 119.64 3hae n ASP 238 Ca 0.00 -3.37 0.00 0.00 -0.01 0.00 0.00 54.79 51.41 3hae n ASP 238 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 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 -0.68 3.07 3.18 6.12 0.00 -1.26 -5.03 105.19 110.59 3hae n GLY 239 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.91 114.28 102.27 3hae n THR 240 Ca 0.00 -1.68 -0.12 0.00 -2.27 0.00 0.00 64.05 59.98 3hae n THR 240 Cb 0.00 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.09 1.06 0.07 4.78 0.40 0.09 -0.92 117.98 121.37 3hae s PHE 241 Ca 0.39 -1.03 0.05 0.00 -0.60 0.00 0.00 56.93 55.75 3hae s PHE 241 Cb -0.03 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 3hae s PHE 241 CO 0.25 -0.25 -0.15 -0.65 0.70 0.00 0.00 175.22 175.12 3hae s GLN 242 N -3.91 0.87 0.08 0.44 -0.21 0.09 -1.25 119.66 115.76 3hae s GLN 242 Ca 0.20 -0.94 -0.10 0.00 0.02 0.00 0.00 55.36 54.55 3hae s GLN 242 Cb 0.06 -0.90 0.00 0.00 1.00 0.00 0.00 33.01 33.18 3hae s GLN 242 CO 0.01 0.21 0.22 0.21 -2.12 0.00 0.00 175.29 173.82 3hae s LYS 243 N -1.65 0.84 0.05 2.91 2.20 -0.61 -0.27 119.74 123.22 3hae s LYS 243 Ca -0.01 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 3hae s LYS 243 Cb -0.10 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3hae s LYS 243 CO 0.02 -0.27 0.06 1.67 -0.36 0.00 0.00 175.35 176.47 3hae s TRP 244 N -3.54 0.32 -0.03 4.03 1.48 -1.26 -1.86 118.94 118.09 3hae s TRP 244 Ca 0.02 -0.76 0.04 0.00 -1.06 0.00 0.00 56.10 54.34 3hae s TRP 244 Cb 0.03 -0.23 -0.00 0.00 -1.16 0.00 0.00 33.47 32.11 3hae s TRP 244 CO -0.09 -0.40 -0.15 0.00 -4.06 0.00 0.00 176.95 172.25 3hae s ALA 245 N -3.38 1.33 0.04 2.67 0.00 -0.36 -2.32 121.76 119.75 3hae s ALA 245 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.44 3hae s ALA 245 Cb 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3hae s ALA 245 CO -0.08 0.25 -0.16 0.00 0.00 0.00 0.00 175.76 175.76 3hae s ALA 246 N 0.01 1.38 0.09 0.00 0.00 0.66 0.22 121.76 124.11 3hae s ALA 246 Ca -0.02 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.12 3hae s ALA 246 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3hae s ALA 246 CO 0.01 0.28 -0.26 0.14 0.00 0.00 0.00 175.76 175.93 3hae s VAL 247 N -0.85 2.22 -0.12 0.00 -7.23 -0.61 -0.41 120.40 113.40 3hae s VAL 247 Ca 0.04 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3hae s VAL 247 Cb -0.08 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hae s VAL 247 CO 0.02 0.23 0.16 0.54 -0.31 0.00 0.00 175.10 175.74 3hae s VAL 248 N -0.93 5.46 0.02 1.32 0.11 -1.03 -0.35 120.40 125.01 3hae s VAL 248 Ca 0.13 0.26 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 3hae s VAL 248 Cb -0.10 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.30 3hae s VAL 248 CO 0.04 0.60 -0.07 0.68 -3.33 0.00 0.00 175.10 173.02 3hae s VAL 249 N -0.88 0.49 0.33 2.04 -7.23 0.14 -4.94 120.40 110.36 3hae s VAL 249 Ca 0.15 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 3hae s VAL 249 Cb -0.12 -0.51 -0.11 0.00 0.56 0.00 0.00 36.38 36.20 3hae s VAL 249 CO 0.04 -0.18 1.54 -2.84 -0.31 0.00 0.00 175.10 173.36 3hae s PRO 250 N -0.99 4.11 0.46 4.82 0.02 -1.26 -1.02 135.00 141.15 3hae s PRO 250 Ca -0.05 2.58 -0.25 0.00 0.02 0.00 0.00 61.00 63.30 3hae s PRO 250 Cb -0.07 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 3hae s PRO 250 CO 0.00 -0.59 1.42 -1.13 -0.33 0.00 0.00 177.00 176.38 3hae n SER 251 N 1.36 3.24 0.00 2.53 3.41 -0.33 -1.74 113.62 122.08 3hae n SER 251 Ca 0.05 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 3hae n SER 251 Cb 0.38 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 3hae n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 252 N 0.60 1.80 0.55 5.00 0.00 -1.26 -4.87 105.19 107.00 3hae n GLY 252 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.95 -0.32 1.61 6.02 -0.71 -4.70 117.38 118.23 3hae n GLN 253 Ca 0.00 -1.31 0.19 0.00 -0.01 0.00 0.00 57.00 55.87 3hae n GLN 253 Cb 0.00 -1.26 0.39 0.00 1.02 0.00 0.00 30.24 30.39 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 2.68 0.34 0.00 -1.09 3.07 -1.90 -0.44 114.58 117.24 3hae h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3hae h GLU 254 Cb 0.57 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3hae h GLU 254 CO 0.00 0.22 0.00 1.96 -1.40 0.00 0.00 179.01 179.79 3hae h GLN 255 N 0.35 0.00 0.00 2.33 1.08 -1.90 -2.77 115.11 114.19 3hae h GLN 255 Ca 0.65 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.78 3hae h GLN 255 Cb 1.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 3hae h GLN 255 CO -0.59 0.00 -0.33 0.00 -0.95 0.00 0.00 178.83 176.97 3hae h ARG 256 N 0.00 0.00 -5.78 1.46 3.08 -1.44 -3.45 114.38 108.24 3hae h ARG 256 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3hae h ARG 256 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 3hae h ARG 256 CO 0.00 0.33 -0.47 0.71 -1.07 0.00 0.00 179.97 179.47 3hae s TYR 257 N -3.62 3.57 0.01 3.04 1.51 -1.05 -1.09 117.35 119.72 3hae s TYR 257 Ca 0.00 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.51 3hae s TYR 257 Cb 0.11 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 3hae s TYR 257 CO 0.67 0.67 -0.03 0.95 -1.11 0.00 0.00 175.55 176.70 3hae s THR 258 N -1.24 0.17 -0.06 -0.71 -4.23 -0.35 -4.44 115.64 104.77 3hae s THR 258 Ca 0.24 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3hae s THR 258 Cb -0.13 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 3hae s THR 258 CO 0.14 -0.17 0.05 0.00 -0.54 0.00 0.00 174.62 174.10 3hae s HIS 260 N -1.01 2.16 -0.12 0.00 3.76 0.52 -0.05 115.29 120.55 3hae s HIS 260 Ca 0.17 -1.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 3hae s HIS 260 Cb -0.12 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 32.04 3hae s HIS 260 CO 0.06 -0.50 -0.20 0.08 -0.85 0.00 0.00 174.74 173.34 3hae s VAL 261 N 0.89 2.42 -0.02 -0.90 1.01 -0.81 -1.75 120.40 121.24 3hae s VAL 261 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3hae s VAL 261 Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3hae s VAL 261 CO -0.01 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 3hae s GLN 262 N 0.43 1.18 -0.18 2.72 -2.07 -0.48 -1.91 119.66 119.35 3hae s GLN 262 Ca -0.14 -0.48 -0.28 0.00 -1.82 0.00 0.00 55.36 52.64 3hae s GLN 262 Cb -0.17 -1.11 0.08 0.00 -1.09 0.00 0.00 33.01 30.72 3hae s GLN 262 CO 0.06 0.26 0.76 -1.58 -1.32 0.00 0.00 175.29 173.48 3hae s HIS 263 N -0.20 -0.67 0.50 9.60 2.46 -1.26 -1.56 115.29 124.16 3hae s HIS 263 Ca 0.03 1.43 0.18 0.00 0.47 0.00 0.00 55.06 57.17 3hae s HIS 263 Cb -0.07 0.35 1.27 0.00 -0.13 0.00 0.00 32.58 34.00 3hae s HIS 263 CO -0.00 -0.45 2.12 1.49 -2.47 0.00 0.00 174.74 175.43 3hae h GLU 264 N 3.95 0.00 0.00 2.88 4.81 -1.95 -1.81 114.58 122.46 3hae h GLU 264 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3hae h GLU 264 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3hae h GLU 264 CO 0.21 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.95 3hae n GLY 265 N -1.34 -0.86 3.56 1.92 0.00 -1.26 -4.69 105.19 102.53 3hae n GLY 265 Ca -0.03 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.83 3.79 0.19 0.99 1.43 -0.68 -4.52 118.68 116.05 3hae s LEU 266 Ca 0.01 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3hae s LEU 266 Cb 0.05 -2.01 0.21 0.00 0.03 0.00 0.00 46.19 44.47 3hae s LEU 266 CO 0.19 0.03 1.76 1.55 0.23 0.00 0.00 176.35 180.10 3hae h PRO 267 N 7.77 0.40 -5.33 1.29 0.13 -1.87 -3.42 132.00 130.96 3hae h PRO 267 Ca -0.37 -0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.32 3hae h PRO 267 Cb 1.18 -0.09 -0.22 0.00 0.13 0.00 0.00 31.00 32.00 3hae h PRO 267 CO 0.61 0.27 -0.78 0.15 -0.23 0.00 0.00 178.00 178.02 3hae s LYS 268 N -6.11 0.83 0.56 0.86 1.02 -1.26 -5.13 119.74 110.50 3hae s LYS 268 Ca -0.13 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 54.76 3hae s LYS 268 Cb 0.15 -0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 3hae s LYS 268 CO 0.74 0.19 1.09 -1.25 -0.92 0.00 0.00 175.35 175.19 3hae s PRO 269 N -1.64 3.36 0.30 -1.68 0.05 -1.26 -5.01 135.00 129.12 3hae s PRO 269 Ca -0.01 1.42 -0.06 0.00 0.05 0.00 0.00 61.00 62.39 3hae s PRO 269 Cb -0.10 -2.02 -0.05 0.00 0.05 0.00 0.00 34.50 32.37 3hae s PRO 269 CO 0.02 -0.80 0.58 -0.51 0.05 0.00 0.00 177.00 176.34 3hae s LEU 270 N -4.06 4.04 -0.10 -3.56 1.43 -0.80 -4.93 118.68 110.69 3hae s LEU 270 Ca 0.68 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 3hae s LEU 270 Cb -0.20 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3hae s LEU 270 CO 0.30 -0.21 -0.15 -0.89 0.23 0.00 0.00 176.35 175.63 3hae s THR 271 N -2.10 1.44 -0.02 5.49 2.01 -1.26 -1.92 115.64 119.27 3hae s THR 271 Ca 0.45 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3hae s THR 271 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 3hae s THR 271 CO 0.29 0.43 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.79 3hae s LEU 272 N 1.00 2.97 -0.05 4.42 1.02 0.92 -4.94 118.68 124.02 3hae s LEU 272 Ca -0.07 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 53.93 3hae s LEU 272 Cb -0.15 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.40 3hae s LEU 272 CO -0.01 0.31 -0.09 -0.60 0.02 0.00 0.00 176.35 175.98 3hae s ARG 273 N -1.09 1.23 0.02 1.70 3.52 -1.26 0.12 118.95 123.19 3hae s ARG 273 Ca 0.14 -0.28 -0.39 0.00 -0.13 0.00 0.00 55.73 55.07 3hae s ARG 273 Cb -0.11 -1.09 -0.19 0.00 -1.56 0.00 0.00 34.95 32.00 3hae s ARG 273 CO 0.04 0.01 1.19 1.87 -0.81 0.00 0.00 175.30 177.60 3hae n TRP 274 N 3.77 1.02 -3.30 5.12 -0.00 -1.26 -4.84 117.44 117.96 3hae n TRP 274 Ca -0.23 0.89 -0.27 0.00 -0.00 0.00 0.00 57.50 57.89 3hae n TRP 274 Cb 0.52 -2.19 -0.07 0.00 -0.00 0.00 0.00 31.31 29.57 3hae n TRP 274 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 3hae n GLU 275 N 1.99 2.55 0.00 5.87 4.07 -1.26 -4.88 120.64 128.98 3hae n GLU 275 Ca 0.20 -4.61 0.00 0.00 -0.06 0.00 0.00 57.16 52.69 3hae n GLU 275 Cb 0.12 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 3hae n GLU 275 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72