#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 2.61 0.11 1.61 0.01 -1.26 -4.25 113.70 112.52 3hae s SER 2 Ca 0.00 1.95 -0.06 0.00 1.31 0.00 0.00 55.95 59.15 3hae s SER 2 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3hae s SER 2 CO 0.00 -3.26 0.15 -1.00 0.41 0.00 0.00 173.24 169.54 3hae s HIS 3 N -2.64 0.39 0.09 2.43 0.09 -0.73 -4.97 115.29 109.96 3hae s HIS 3 Ca 0.66 -0.82 -0.12 0.00 -0.00 0.00 0.00 55.06 54.78 3hae s HIS 3 Cb -0.22 -0.19 0.02 0.00 -0.00 0.00 0.00 32.58 32.18 3hae s HIS 3 CO 0.59 -0.55 0.29 -1.54 -0.00 0.00 0.00 174.74 173.53 3hae s SER 4 N -2.93 -0.05 -0.03 1.40 1.04 -1.26 -0.82 113.70 111.05 3hae s SER 4 Ca 0.11 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 3hae s SER 4 Cb 0.06 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3hae s SER 4 CO -0.06 -0.75 0.06 -0.32 0.98 0.00 0.00 173.24 173.15 3hae s MET 5 N -3.62 -0.02 -0.03 4.02 1.75 -0.72 -0.99 119.30 119.70 3hae s MET 5 Ca 0.03 0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 3hae s MET 5 Cb 0.03 -0.27 0.01 0.00 2.84 0.00 0.00 34.83 37.44 3hae s MET 5 CO -0.10 -0.20 0.08 -0.98 -0.65 0.00 0.00 175.02 173.17 3hae s ARG 6 N 1.29 0.08 -0.07 4.11 1.70 -0.52 -1.78 118.95 123.75 3hae s ARG 6 Ca -0.07 0.15 0.01 0.00 -0.47 0.00 0.00 55.73 55.35 3hae s ARG 6 Cb -0.13 -0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.21 3hae s ARG 6 CO -0.04 -0.05 -0.08 0.71 -1.08 0.00 0.00 175.30 174.77 3hae s TYR 7 N 0.30 2.91 -0.07 5.89 2.02 -0.65 0.85 117.35 128.60 3hae s TYR 7 Ca -0.02 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.68 3hae s TYR 7 Cb -0.03 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 3hae s TYR 7 CO -0.01 0.27 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.94 3hae s PHE 8 N -0.67 2.41 0.00 2.71 0.40 0.98 -2.51 117.98 121.31 3hae s PHE 8 Ca 0.10 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 3hae s PHE 8 Cb -0.11 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3hae s PHE 8 CO 0.02 -0.30 -0.19 -0.06 0.70 0.00 0.00 175.22 175.39 3hae s PHE 9 N 0.07 1.72 -0.05 0.36 0.40 -0.26 -1.19 117.98 119.03 3hae s PHE 9 Ca -0.10 -0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 3hae s PHE 9 Cb -0.15 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.32 3hae s PHE 9 CO 0.06 0.01 0.02 0.99 0.70 0.00 0.00 175.22 176.99 3hae s THR 10 N -0.56 0.17 -0.13 0.64 2.01 0.13 -1.81 115.64 116.09 3hae s THR 10 Ca 0.07 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3hae s THR 10 Cb -0.08 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 3hae s THR 10 CO 0.00 0.19 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.53 3hae s SER 11 N 1.65 3.82 -0.11 3.53 0.01 0.21 -1.70 113.70 121.11 3hae s SER 11 Ca -0.01 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3hae s SER 11 Cb -0.13 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.55 3hae s SER 11 CO -0.03 0.15 -0.11 -0.69 0.41 0.00 0.00 173.24 172.97 3hae s VAL 12 N 0.41 1.24 0.49 3.43 1.01 -0.79 -1.23 120.40 124.95 3hae s VAL 12 Ca -0.12 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3hae s VAL 12 Cb -0.16 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 3hae s VAL 12 CO 0.06 0.40 0.98 -0.94 0.00 0.00 0.00 175.10 175.59 3hae s SER 13 N 1.31 6.66 -0.41 3.32 1.04 -0.76 -1.35 113.70 123.51 3hae s SER 13 Ca -0.01 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.13 3hae s SER 13 Cb -0.14 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 63.65 3hae s SER 13 CO -0.05 -0.56 0.40 0.54 0.98 0.00 0.00 173.24 174.56 3hae n ARG 14 N -1.21 0.34 -1.70 4.02 1.74 -1.26 -4.33 116.66 114.24 3hae n ARG 14 Ca 0.07 -3.15 -0.44 0.00 -0.77 0.00 0.00 57.85 53.57 3hae n ARG 14 Cb 0.54 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3hae n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3hae n PRO 15 N 2.44 2.40 0.00 5.56 -0.04 -1.26 -2.34 135.00 141.76 3hae n PRO 15 Ca 0.27 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 3hae n PRO 15 Cb 0.50 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3hae n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hae n GLY 16 N 2.73 3.02 3.95 0.55 0.00 -1.26 -5.01 105.19 109.17 3hae n GLY 16 Ca 0.12 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 3hae n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hae n ARG 17 N 0.00 -0.86 0.00 1.61 0.63 -0.99 -5.10 116.66 111.95 3hae n ARG 17 Ca 0.00 -2.37 0.00 0.00 -0.92 0.00 0.00 57.85 54.56 3hae n ARG 17 Cb 0.00 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3hae n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hae n GLY 18 N -3.48 -0.05 3.95 5.14 0.00 -1.26 -4.87 105.19 104.63 3hae n GLY 18 Ca 0.17 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 3.22 0.39 1.61 8.01 -1.26 -4.76 118.70 125.90 3hae s GLU 19 Ca 0.00 -0.48 -0.24 0.00 0.01 0.00 0.00 54.97 54.26 3hae s GLU 19 Cb 0.00 -2.62 -0.12 0.00 -4.31 0.00 0.00 34.13 27.08 3hae s GLU 19 CO 0.00 -0.09 0.76 -2.30 0.01 0.00 0.00 175.26 173.64 3hae n PRO 20 N -1.94 0.90 -1.93 0.39 -0.01 -1.26 -4.72 135.00 126.42 3hae n PRO 20 Ca -0.01 0.32 -0.42 0.00 -0.01 0.00 0.00 63.50 63.38 3hae n PRO 20 Cb 0.57 -1.70 -0.03 0.00 -0.01 0.00 0.00 33.50 32.33 3hae n PRO 20 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 3hae s ARG 21 N -1.69 4.19 -0.20 -0.52 6.06 -0.46 -4.84 118.95 121.49 3hae s ARG 21 Ca 0.63 2.32 -0.02 0.00 -2.50 0.00 0.00 55.73 56.15 3hae s ARG 21 Cb -0.62 -3.68 -0.00 0.00 0.06 0.00 0.00 34.95 30.71 3hae s ARG 21 CO 0.58 -0.76 -0.09 0.12 -2.50 0.00 0.00 175.30 172.65 3hae s PHE 22 N 2.90 2.90 -0.09 5.12 5.36 -1.26 -1.88 117.98 131.04 3hae s PHE 22 Ca 0.74 -1.09 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3hae s PHE 22 Cb -0.39 -2.04 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3hae s PHE 22 CO 0.32 -0.58 -0.18 0.42 -1.46 0.00 0.00 175.22 173.74 3hae s ILE 23 N 1.33 1.62 0.02 3.12 1.01 -0.69 -0.66 121.20 126.95 3hae s ILE 23 Ca 0.04 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3hae s ILE 23 Cb -0.14 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 3hae s ILE 23 CO -0.05 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.30 3hae s ALA 24 N 0.52 0.41 -0.02 9.38 0.00 -0.06 -0.69 121.76 131.30 3hae s ALA 24 Ca -0.16 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 3hae s ALA 24 Cb -0.17 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3hae s ALA 24 CO 0.06 0.01 0.18 0.14 0.00 0.00 0.00 175.76 176.15 3hae s VAL 25 N -0.77 0.06 -0.04 0.00 -7.23 -0.33 -0.43 120.40 111.66 3hae s VAL 25 Ca -0.05 -0.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 3hae s VAL 25 Cb -0.06 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 3hae s VAL 25 CO -0.00 -0.28 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.45 3hae s GLY 26 N -1.07 1.35 0.16 2.32 0.00 -0.54 -0.01 107.32 109.52 3hae s GLY 26 Ca -0.12 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 43.63 3hae s GLY 26 CO 0.02 -0.79 -0.10 -0.19 0.00 0.00 0.00 173.10 172.04 3hae s TYR 27 N -0.48 2.65 -0.13 1.90 1.51 0.25 -1.00 117.35 122.05 3hae s TYR 27 Ca 0.06 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 3hae s TYR 27 Cb -0.11 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 3hae s TYR 27 CO 0.01 0.48 -0.21 0.08 -1.11 0.00 0.00 175.55 174.79 3hae s VAL 28 N -1.52 1.97 0.00 0.71 1.01 -0.40 -1.44 120.40 120.73 3hae s VAL 28 Ca 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3hae s VAL 28 Cb -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3hae s VAL 28 CO 0.14 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.25 3hae n ASP 29 N 4.01 0.00 -1.63 3.32 8.00 -0.16 -0.93 116.55 129.16 3hae n ASP 29 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3hae n ASP 29 Cb 0.52 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.92 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 2.60 4.57 -4.22 -2.24 8.00 -1.26 -4.88 116.55 119.12 3hae n ASP 30 Ca 0.00 -3.17 -0.33 0.00 0.71 0.00 0.00 54.79 52.00 3hae n ASP 30 Cb 0.00 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 40.27 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 -2.94 2.44 0.20 -3.53 2.01 -0.10 -5.04 115.64 108.68 3hae s THR 31 Ca 0.51 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3hae s THR 31 Cb 0.41 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 3hae s THR 31 CO 0.12 0.52 0.95 -1.58 -0.69 0.00 0.00 174.62 173.95 3hae s GLN 32 N 0.89 4.80 0.00 4.92 0.74 -1.26 -1.27 119.66 128.47 3hae s GLN 32 Ca -0.04 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.86 3hae s GLN 32 Cb -0.15 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3hae s GLN 32 CO -0.02 0.41 0.00 1.97 -0.55 0.00 0.00 175.29 177.10 3hae n PHE 33 N 1.88 0.00 -4.13 1.67 -1.74 -0.17 -4.20 117.46 110.77 3hae n PHE 33 Ca -0.01 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.72 3hae n PHE 33 Cb 0.48 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.36 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 -1.69 0.89 0.19 1.97 -7.23 -1.23 0.50 120.40 113.80 3hae s VAL 34 Ca 0.00 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 3hae s VAL 34 Cb 0.00 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 3hae s VAL 34 CO 0.00 -0.33 0.02 0.00 -0.31 0.00 0.00 175.10 174.49 3hae s ARG 35 N -1.83 1.19 -0.19 4.82 1.04 -0.92 -1.47 118.95 121.59 3hae s ARG 35 Ca -0.04 -1.59 -0.15 0.00 -1.04 0.00 0.00 55.73 52.91 3hae s ARG 35 Cb -0.09 -0.29 0.05 0.00 -2.04 0.00 0.00 34.95 32.58 3hae s ARG 35 CO 0.01 -0.16 0.49 0.12 -0.04 0.00 0.00 175.30 175.72 3hae s PHE 36 N -3.66 -0.59 -0.09 5.89 5.36 0.43 -1.20 117.98 124.12 3hae s PHE 36 Ca 0.27 1.37 -0.02 0.00 -0.96 0.00 0.00 56.93 57.58 3hae s PHE 36 Cb 0.06 0.23 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 3hae s PHE 36 CO 0.06 -0.29 0.04 0.34 -1.46 0.00 0.00 175.22 173.91 3hae s ASP 37 N 0.59 1.73 0.51 6.13 -1.08 -1.26 -0.88 116.67 122.40 3hae s ASP 37 Ca -0.03 -0.21 0.23 0.00 -0.52 0.00 0.00 52.55 52.02 3hae s ASP 37 Cb -0.05 -0.32 1.32 0.00 -1.46 0.00 0.00 42.92 42.41 3hae s ASP 37 CO -0.03 -0.25 1.99 0.77 0.52 0.00 0.00 175.17 178.16 3hae h SER 38 N 8.37 0.08 0.06 -0.34 4.64 -1.27 -0.73 113.55 124.36 3hae h SER 38 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3hae h SER 38 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3hae h SER 38 CO 0.24 0.04 -0.06 0.47 -0.87 0.00 0.00 176.83 176.65 3hae n ASP 39 N -4.40 1.19 -4.84 4.97 9.92 -1.26 -4.89 116.55 117.23 3hae n ASP 39 Ca 0.10 -1.27 -0.31 0.00 -0.53 0.00 0.00 54.79 52.78 3hae n ASP 39 Cb 0.56 0.02 0.03 0.00 -0.64 0.00 0.00 41.12 41.09 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 -2.13 2.86 0.07 2.24 0.00 -0.28 -5.00 121.76 119.52 3hae s ALA 40 Ca 0.36 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 3hae s ALA 40 Cb 0.21 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3hae s ALA 40 CO 0.38 -0.96 1.43 0.00 0.00 0.00 0.00 175.76 176.61 3hae h ALA 41 N -0.44 0.32 -0.04 0.00 0.00 -1.90 -3.34 119.26 113.86 3hae h ALA 41 Ca -0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 3hae h ALA 41 Cb 1.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hae h ALA 41 CO 0.59 0.19 -0.05 0.66 0.00 0.00 0.00 179.25 180.64 3hae h SER 42 N 0.20 0.05 -2.60 0.00 4.64 -1.94 -3.46 113.55 110.44 3hae h SER 42 Ca 0.05 -0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.95 3hae h SER 42 Cb 0.63 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 3hae h SER 42 CO 0.04 0.11 -0.50 0.00 -0.87 0.00 0.00 176.83 175.61 3hae n GLN 43 N -4.45 -1.65 -4.22 4.77 1.13 -1.26 -4.98 117.38 106.72 3hae n GLN 43 Ca -0.02 1.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.95 3hae n GLN 43 Cb 0.15 -5.65 -0.10 0.00 0.11 0.00 0.00 30.24 24.75 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 -4.76 1.01 0.07 -1.09 0.52 -1.26 -5.06 118.95 108.37 3hae s ARG 44 Ca 0.00 -1.44 -0.31 0.00 -0.52 0.00 0.00 55.73 53.46 3hae s ARG 44 Cb 0.00 -0.40 -0.07 0.00 0.52 0.00 0.00 34.95 35.01 3hae s ARG 44 CO 0.00 -0.01 1.39 1.41 0.02 0.00 0.00 175.30 178.10 3hae s MET 45 N -3.82 4.31 0.12 3.54 -2.45 -1.26 -4.66 119.30 115.08 3hae s MET 45 Ca 0.17 2.02 0.10 0.00 -1.25 0.00 0.00 55.69 56.72 3hae s MET 45 Cb 0.04 -3.39 -0.04 0.00 1.25 0.00 0.00 34.83 32.69 3hae s MET 45 CO -0.00 -0.48 -0.22 -1.21 1.05 0.00 0.00 175.02 174.16 3hae s GLU 46 N 1.63 1.63 0.50 4.11 2.02 -0.34 -4.91 118.70 123.35 3hae s GLU 46 Ca 0.64 -1.25 -0.20 0.00 0.02 0.00 0.00 54.97 54.18 3hae s GLU 46 Cb -0.34 -2.03 -0.07 0.00 0.10 0.00 0.00 34.13 31.79 3hae s GLU 46 CO 0.29 0.47 1.09 -1.25 0.02 0.00 0.00 175.26 175.88 3hae s PRO 47 N -2.10 3.62 0.00 0.39 0.04 -1.26 -2.16 135.00 133.54 3hae s PRO 47 Ca 0.16 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3hae s PRO 47 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3hae s PRO 47 CO 0.08 -0.61 0.16 0.54 0.04 0.00 0.00 177.00 177.22 3hae n ARG 48 N -1.02 0.00 -3.93 4.56 5.12 0.18 -4.82 116.66 116.76 3hae n ARG 48 Ca 0.10 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.73 3hae n ARG 48 Cb 0.51 -0.51 -0.14 0.00 -1.16 0.00 0.00 32.46 31.17 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 0.09 0.22 7.54 0.00 -1.24 -4.66 121.76 123.71 3hae s ALA 49 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 3hae s ALA 49 Cb 0.00 -0.00 0.30 0.00 0.00 0.00 0.00 23.12 23.41 3hae s ALA 49 CO 0.00 0.00 1.64 -1.35 0.00 0.00 0.00 175.76 176.05 3hae h PRO 50 N 5.97 0.05 0.00 0.00 0.11 -1.96 -2.39 132.00 133.78 3hae h PRO 50 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hae h PRO 50 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hae h PRO 50 CO 0.50 0.03 0.00 -2.67 -0.21 0.00 0.00 178.00 175.65 3hae n TRP 51 N -5.38 0.00 0.09 0.65 4.27 -1.26 -0.38 117.44 115.43 3hae n TRP 51 Ca 0.09 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.72 3hae n TRP 51 Cb 0.37 -0.45 -0.02 0.00 -1.36 0.00 0.00 31.31 29.85 3hae n TRP 51 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 3hae h ILE 52 N 0.00 0.73 -0.23 -1.67 6.09 -1.79 -3.33 117.51 117.31 3hae h ILE 52 Ca 0.00 -2.14 0.07 0.00 -1.37 0.00 0.00 64.86 61.41 3hae h ILE 52 Cb 0.19 2.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.73 3hae h ILE 52 CO 0.00 0.41 0.17 -0.33 -3.07 0.00 0.00 178.15 175.34 3hae h GLU 53 N 0.00 0.00 -0.97 2.19 5.08 -0.79 -1.21 114.58 118.89 3hae h GLU 53 Ca -0.07 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.57 3hae h GLU 53 Cb 1.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 3hae h GLU 53 CO 0.06 0.00 0.69 1.96 -1.00 0.00 0.00 179.01 180.72 3hae h GLN 54 N 0.00 0.02 -6.94 2.33 4.20 -1.69 -3.44 115.11 109.59 3hae h GLN 54 Ca 0.11 -0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.30 3hae h GLN 54 Cb 0.45 -0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.29 3hae h GLN 54 CO -0.00 0.01 0.55 -1.21 -0.67 0.00 0.00 178.83 177.51 3hae s GLU 55 N -4.99 4.01 0.85 1.46 0.41 -0.46 -4.99 118.70 114.99 3hae s GLU 55 Ca -0.05 1.97 -0.13 0.00 -0.41 0.00 0.00 54.97 56.36 3hae s GLU 55 Cb 0.22 -2.71 0.11 0.00 -1.78 0.00 0.00 34.13 29.97 3hae s GLU 55 CO 0.78 -0.40 1.18 0.20 -0.49 0.00 0.00 175.26 176.54 3hae s GLY 56 N -0.97 1.60 0.47 -1.39 0.00 -1.26 -4.87 107.32 100.91 3hae s GLY 56 Ca 0.57 -0.68 0.16 0.00 0.00 0.00 0.00 44.72 44.77 3hae s GLY 56 CO 0.43 -0.14 2.03 -2.55 0.00 0.00 0.00 173.10 172.87 3hae h PRO 57 N -1.23 0.24 -0.44 2.90 0.11 -1.97 -1.13 132.00 130.49 3hae h PRO 57 Ca -0.47 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3hae h PRO 57 Cb 1.32 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3hae h PRO 57 CO 0.62 0.16 -0.09 0.93 -0.21 0.00 0.00 178.00 179.41 3hae h GLU 58 N 0.25 0.02 -0.07 1.05 3.07 -1.99 0.66 114.58 117.57 3hae h GLU 58 Ca 0.20 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.09 3hae h GLU 58 Cb 0.45 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.32 3hae h GLU 58 CO -0.04 0.01 -0.15 -0.92 -1.40 0.00 0.00 179.01 176.51 3hae h TYR 59 N 0.02 -0.39 -0.19 4.33 3.20 -1.55 0.30 116.97 122.69 3hae h TYR 59 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3hae h TYR 59 Cb 0.32 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hae h TYR 59 CO -0.36 -0.22 0.06 -1.49 -1.64 0.00 0.00 178.16 174.51 3hae h TRP 60 N -0.21 0.30 -0.56 -3.82 4.06 -1.38 0.34 115.95 114.69 3hae h TRP 60 Ca 0.07 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.10 3hae h TRP 60 Cb 0.32 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.31 3hae h TRP 60 CO -0.24 0.39 0.08 -0.44 -3.56 0.00 0.00 178.44 174.67 3hae h ASP 61 N 0.14 -0.07 0.30 -3.49 5.19 -0.77 0.14 116.42 117.85 3hae h ASP 61 Ca 0.06 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3hae h ASP 61 Cb 0.22 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3hae h ASP 61 CO -0.00 -0.02 -0.14 1.23 -3.12 0.00 0.00 179.24 177.19 3hae h GLY 62 N 0.21 -0.42 1.22 2.75 0.00 -0.06 -1.88 103.07 104.89 3hae h GLY 62 Ca 0.29 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.79 3hae h GLY 62 CO -0.40 -0.15 0.51 0.83 0.00 0.00 0.00 176.54 177.33 3hae h GLU 63 N -0.77 0.99 -0.54 4.80 4.39 -0.27 -0.61 114.58 122.57 3hae h GLU 63 Ca -0.04 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3hae h GLU 63 Cb 0.50 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3hae h GLU 63 CO 0.07 0.65 0.33 1.15 -1.16 0.00 0.00 179.01 180.05 3hae h THR 64 N 1.02 1.07 0.04 1.13 2.02 -0.63 0.62 112.91 118.17 3hae h THR 64 Ca 0.29 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3hae h THR 64 Cb -0.08 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3hae h THR 64 CO -0.07 0.12 -0.02 0.03 0.37 0.00 0.00 175.52 175.95 3hae h ARG 65 N 0.65 -0.05 -0.31 6.66 3.08 -0.47 -1.18 114.38 122.76 3hae h ARG 65 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3hae h ARG 65 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hae h ARG 65 CO -0.09 0.02 0.19 0.87 -1.07 0.00 0.00 179.97 179.89 3hae h LYS 66 N -0.11 0.42 -0.85 0.04 1.57 -0.81 -1.01 116.57 115.82 3hae h LYS 66 Ca -0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hae h LYS 66 Cb 0.10 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hae h LYS 66 CO 0.01 0.30 0.56 -0.24 -0.57 0.00 0.00 179.45 179.52 3hae h VAL 67 N 0.40 1.20 -0.56 0.50 3.04 -0.75 0.39 116.25 120.47 3hae h VAL 67 Ca 0.11 -0.39 0.04 0.00 -1.01 0.00 0.00 66.70 65.45 3hae h VAL 67 Cb -0.01 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 29.20 3hae h VAL 67 CO -0.02 0.21 0.32 0.11 -1.01 0.00 0.00 177.57 177.17 3hae h LYS 68 N 1.13 0.60 -0.29 4.17 1.79 -0.36 0.03 116.57 123.65 3hae h LYS 68 Ca 0.32 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 3hae h LYS 68 Cb -0.10 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 3hae h LYS 68 CO -0.07 0.40 0.14 0.00 -1.08 0.00 0.00 179.45 178.84 3hae h ALA 69 N 1.27 0.37 -0.42 3.86 0.00 0.26 0.55 119.26 125.15 3hae h ALA 69 Ca 0.24 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3hae h ALA 69 Cb 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3hae h ALA 69 CO -0.13 -0.08 -0.22 0.45 0.00 0.00 0.00 179.25 179.27 3hae h HIS 70 N 0.34 -0.57 -0.29 0.00 3.86 -0.49 0.83 115.15 118.82 3hae h HIS 70 Ca 0.10 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3hae h HIS 70 Cb 0.10 0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 3hae h HIS 70 CO -0.02 -0.30 -0.04 1.03 0.86 0.00 0.00 177.93 179.46 3hae h SER 71 N -0.14 -0.19 0.51 2.45 0.87 0.60 -0.57 113.55 117.08 3hae h SER 71 Ca 0.20 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 3hae h SER 71 Cb 0.46 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3hae h SER 71 CO -0.51 -0.06 -0.30 1.56 -0.53 0.00 0.00 176.83 176.99 3hae h GLN 72 N 0.04 0.00 -0.15 2.24 4.20 -0.40 -1.48 115.11 119.56 3hae h GLN 72 Ca 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3hae h GLN 72 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hae h GLN 72 CO -0.27 0.30 -0.04 1.15 -0.67 0.00 0.00 178.83 179.30 3hae h THR 73 N 0.00 1.29 -0.71 -0.54 2.02 0.66 -2.71 112.91 112.92 3hae h THR 73 Ca -0.00 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 3hae h THR 73 Cb 0.64 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 3hae h THR 73 CO 0.04 0.30 0.31 0.45 0.37 0.00 0.00 175.52 176.99 3hae h HIS 74 N -0.01 1.03 -0.76 3.16 3.86 -0.96 -0.42 115.15 121.05 3hae h HIS 74 Ca 0.04 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3hae h HIS 74 Cb 0.48 -0.32 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 3hae h HIS 74 CO 0.05 0.77 0.41 -0.09 0.86 0.00 0.00 177.93 179.93 3hae h ARG 75 N 1.01 0.67 -0.09 2.45 2.43 -1.19 0.18 114.38 119.84 3hae h ARG 75 Ca 0.24 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3hae h ARG 75 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3hae h ARG 75 CO -0.03 0.44 -0.60 0.28 -1.51 0.00 0.00 179.97 178.55 3hae h VAL 76 N 0.69 1.37 -0.31 0.20 2.07 -1.08 -3.25 116.25 115.94 3hae h VAL 76 Ca 0.37 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 3hae h VAL 76 Cb 0.37 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hae h VAL 76 CO -0.26 0.58 0.11 0.44 0.02 0.00 0.00 177.57 178.47 3hae h ASP 77 N 0.24 0.44 -0.68 0.57 3.32 0.73 -0.98 116.42 120.06 3hae h ASP 77 Ca -0.01 -0.19 0.13 0.00 0.02 0.00 0.00 57.03 56.98 3hae h ASP 77 Cb 1.12 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 3hae h ASP 77 CO 0.10 0.51 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.78 3hae h LEU 78 N 0.35 -0.99 -0.21 1.55 3.38 -0.78 0.24 115.31 118.85 3hae h LEU 78 Ca 0.10 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hae h LEU 78 Cb 0.22 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hae h LEU 78 CO -0.01 -0.28 0.14 1.23 0.09 0.00 0.00 178.44 179.61 3hae h GLY 79 N -0.08 0.30 0.66 0.83 0.00 -1.46 -0.34 103.07 102.98 3hae h GLY 79 Ca 0.29 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.58 3hae h GLY 79 CO -0.74 0.11 0.59 -0.84 0.00 0.00 0.00 176.54 175.67 3hae h THR 80 N 0.28 1.03 -0.02 4.70 2.02 0.19 -1.94 112.91 119.16 3hae h THR 80 Ca 0.08 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3hae h THR 80 Cb -0.02 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 3hae h THR 80 CO -0.02 0.19 -0.06 -0.07 0.37 0.00 0.00 175.52 175.93 3hae h LEU 81 N 1.04 0.09 -1.11 2.58 3.38 -0.13 -0.88 115.31 120.29 3hae h LEU 81 Ca 0.42 -0.61 0.27 0.00 0.09 0.00 0.00 57.88 58.05 3hae h LEU 81 Cb 0.24 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 3hae h LEU 81 CO -0.20 0.69 0.62 -0.09 0.09 0.00 0.00 178.44 179.55 3hae h ARG 82 N -0.51 0.47 0.39 1.13 2.43 -0.87 -0.61 114.38 116.82 3hae h ARG 82 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hae h ARG 82 Cb 0.68 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hae h ARG 82 CO 0.01 0.31 -0.19 0.78 -1.51 0.00 0.00 179.97 179.38 3hae h GLY 83 N 0.49 -0.55 0.67 2.80 0.00 -1.05 -1.87 103.07 103.56 3hae h GLY 83 Ca 0.65 0.20 0.13 0.00 0.00 0.00 0.00 47.33 48.31 3hae h GLY 83 CO -0.45 -0.20 0.53 -0.97 0.00 0.00 0.00 176.54 175.46 3hae h TYR 84 N -0.80 0.70 -0.59 5.60 0.05 0.08 -1.50 116.97 120.51 3hae h TYR 84 Ca -0.05 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 3hae h TYR 84 Cb 0.53 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 3hae h TYR 84 CO 0.01 0.28 0.11 0.66 -1.05 0.00 0.00 178.16 178.17 3hae n TYR 85 N -4.52 2.05 -0.88 4.88 4.01 -0.36 -4.96 117.16 117.38 3hae n TYR 85 Ca 0.15 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 3hae n TYR 85 Cb 0.44 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3hae n TYR 85 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3hae n ASN 86 N 0.27 0.00 -4.82 7.72 6.94 -0.57 -4.96 115.26 119.85 3hae n ASN 86 Ca 0.30 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.60 3hae n ASN 86 Cb 1.19 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.56 3hae n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3hae s GLN 87 N -0.58 2.97 0.58 -3.83 -0.21 -0.74 -5.05 119.66 112.81 3hae s GLN 87 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.45 3hae s GLN 87 Cb 0.00 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 3hae s GLN 87 CO 0.00 0.50 1.00 -1.54 -2.12 0.00 0.00 175.29 173.13 3hae s SER 88 N -3.03 6.35 0.42 5.90 1.04 -1.26 -4.74 113.70 118.38 3hae s SER 88 Ca 0.31 1.44 0.28 0.00 0.48 0.00 0.00 55.95 58.46 3hae s SER 88 Cb -0.10 -2.47 1.53 0.00 0.10 0.00 0.00 66.02 65.07 3hae s SER 88 CO 0.24 -0.77 1.86 -0.33 0.98 0.00 0.00 173.24 175.22 3hae h GLU 89 N 0.08 0.00 0.08 4.02 5.08 -1.99 -3.27 114.58 118.59 3hae h GLU 89 Ca -0.45 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.66 3hae h GLU 89 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hae h GLU 89 CO 0.62 0.00 -1.13 0.00 -1.00 0.00 0.00 179.01 177.49 3hae h ALA 90 N 1.98 0.21 -2.38 3.43 0.00 -1.99 -3.44 119.26 117.07 3hae h ALA 90 Ca 0.00 -0.85 -0.49 0.00 0.00 0.00 0.00 54.91 53.57 3hae h ALA 90 Cb 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hae h ALA 90 CO 0.00 0.99 0.38 0.20 0.00 0.00 0.00 179.25 180.82 3hae s GLY 91 N -4.62 2.26 0.01 0.00 0.00 -1.23 -4.73 107.32 99.00 3hae s GLY 91 Ca -0.03 0.50 -0.18 0.00 0.00 0.00 0.00 44.72 45.00 3hae s GLY 91 CO 0.87 0.82 0.51 -0.45 0.00 0.00 0.00 173.10 174.85 3hae s SER 92 N -2.50 6.92 0.05 1.64 0.15 -1.26 -4.71 113.70 113.98 3hae s SER 92 Ca 0.66 1.09 -0.00 0.00 0.70 0.00 0.00 55.95 58.39 3hae s SER 92 Cb -0.17 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3hae s SER 92 CO 0.33 0.22 -0.04 -1.00 1.20 0.00 0.00 173.24 173.95 3hae s HIS 93 N -0.67 0.54 -0.09 3.44 3.76 -1.26 -4.95 115.29 116.06 3hae s HIS 93 Ca 0.27 -0.89 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 3hae s HIS 93 Cb -0.18 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 3hae s HIS 93 CO 0.16 -0.28 -0.23 0.99 -0.85 0.00 0.00 174.74 174.53 3hae s THR 94 N -3.16 2.17 -0.05 1.30 2.01 -1.26 -1.82 115.64 114.83 3hae s THR 94 Ca 0.02 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 3hae s THR 94 Cb 0.02 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 3hae s THR 94 CO -0.06 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 3hae s VAL 95 N 0.13 4.14 -0.03 3.82 1.01 -0.37 -0.66 120.40 128.44 3hae s VAL 95 Ca -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3hae s VAL 95 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3hae s VAL 95 CO 0.07 0.51 -0.04 -1.10 0.00 0.00 0.00 175.10 174.54 3hae s GLN 96 N -1.15 0.65 0.01 2.72 -0.21 -0.64 -0.62 119.66 120.43 3hae s GLN 96 Ca 0.16 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.50 3hae s GLN 96 Cb -0.11 -0.69 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 3hae s GLN 96 CO 0.05 -0.06 -0.12 0.50 -2.12 0.00 0.00 175.29 173.54 3hae s ARG 97 N 0.79 0.88 -0.10 2.91 3.52 -0.75 0.01 118.95 126.20 3hae s ARG 97 Ca -0.10 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 3hae s ARG 97 Cb -0.13 -0.85 0.05 0.00 -1.56 0.00 0.00 34.95 32.46 3hae s ARG 97 CO -0.00 0.22 0.21 1.41 -0.81 0.00 0.00 175.30 176.33 3hae s MET 98 N -0.71 0.14 0.21 5.12 1.75 -0.44 -1.10 119.30 124.27 3hae s MET 98 Ca 0.02 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 54.97 3hae s MET 98 Cb -0.06 -0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.43 3hae s MET 98 CO 0.00 -0.20 0.16 1.52 -0.65 0.00 0.00 175.02 175.86 3hae s TYR 99 N 1.55 1.13 -5.00 4.11 -0.85 -1.05 -0.41 117.35 116.84 3hae s TYR 99 Ca -0.06 -1.35 0.00 0.00 -0.52 0.00 0.00 57.07 55.14 3hae s TYR 99 Cb -0.11 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.72 3hae s TYR 99 CO -0.08 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 3hae n GLY 100 N -0.30 -0.44 3.17 5.49 0.00 -0.84 -1.63 105.19 110.64 3hae n GLY 100 Ca 0.02 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.97 4.74 0.11 0.00 1.11 -0.18 -1.76 116.67 118.72 3hae s ASP 102 Ca -0.07 -0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.51 3hae s ASP 102 Cb -0.02 -1.07 -0.04 0.00 1.07 0.00 0.00 42.92 42.86 3hae s ASP 102 CO -0.03 0.22 -0.15 0.68 1.18 0.00 0.00 175.17 177.07 3hae s VAL 103 N -1.18 1.34 0.54 -1.27 -7.23 0.00 -0.48 120.40 112.13 3hae s VAL 103 Ca 0.22 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 3hae s VAL 103 Cb -0.11 -1.44 0.13 0.00 0.56 0.00 0.00 36.38 35.52 3hae s VAL 103 CO 0.13 -0.33 0.68 0.61 -0.31 0.00 0.00 175.10 175.88 3hae n GLY 104 N 0.75 -1.56 0.25 2.32 0.00 -0.80 -1.77 105.19 104.39 3hae n GLY 104 Ca -0.17 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.37 3hae n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hae h SER 105 N -1.11 0.00 -0.39 1.61 4.64 -1.91 0.20 113.55 116.59 3hae h SER 105 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hae h SER 105 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3hae h SER 105 CO 0.16 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.22 3hae n ASP 106 N -2.75 3.06 -0.69 4.97 5.75 -1.26 -4.79 116.55 120.84 3hae n ASP 106 Ca -0.01 -1.94 -0.09 0.00 -0.01 0.00 0.00 54.79 52.74 3hae n ASP 106 Cb 0.14 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.22 0.00 -2.95 2.11 7.02 0.69 -5.00 117.44 120.53 3hae n TRP 107 Ca 0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 3hae n TRP 107 Cb 0.53 -1.91 -0.06 0.00 -2.42 0.00 0.00 31.31 27.45 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 -2.57 4.54 0.29 -0.99 3.52 -1.26 -4.81 118.95 117.67 3hae s ARG 108 Ca 0.00 1.16 -0.27 0.00 -0.13 0.00 0.00 55.73 56.50 3hae s ARG 108 Cb 0.00 -3.12 -0.15 0.00 -1.56 0.00 0.00 34.95 30.13 3hae s ARG 108 CO 0.00 0.49 0.71 0.34 -0.81 0.00 0.00 175.30 176.03 3hae n PHE 109 N 1.25 0.18 0.01 5.12 7.35 -1.26 -1.90 117.46 128.21 3hae n PHE 109 Ca -0.03 0.77 0.00 0.00 -0.76 0.00 0.00 57.45 57.43 3hae n PHE 109 Cb 0.49 -2.08 0.00 0.00 0.35 0.00 0.00 39.48 38.24 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 1.53 0.09 -3.67 -2.13 7.94 0.37 -4.73 117.00 116.41 3hae n LEU 110 Ca 0.13 0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 3hae n LEU 110 Cb 0.31 -0.01 -0.06 0.00 0.53 0.00 0.00 43.42 44.19 3hae n LEU 110 CO 0.57 -0.26 0.15 -0.60 -1.11 0.00 0.00 177.39 176.14 3hae s ARG 111 N -2.00 0.90 0.16 1.96 3.52 -1.13 -4.98 118.95 117.38 3hae s ARG 111 Ca 0.00 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.33 3hae s ARG 111 Cb 0.00 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 3hae s ARG 111 CO 0.00 -0.30 -0.15 0.20 -0.81 0.00 0.00 175.30 174.24 3hae s GLY 112 N -1.94 1.26 0.03 8.12 0.00 -1.26 -1.01 107.32 112.51 3hae s GLY 112 Ca -0.06 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 3hae s GLY 112 CO -0.02 -1.54 0.07 -0.19 0.00 0.00 0.00 173.10 171.42 3hae s TYR 113 N -2.46 0.20 -0.30 1.90 1.51 -0.18 -4.88 117.35 113.14 3hae s TYR 113 Ca 0.15 -0.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 3hae s TYR 113 Cb -0.03 -0.15 0.15 0.00 -0.11 0.00 0.00 41.96 41.82 3hae s TYR 113 CO 0.05 -0.31 0.70 -1.58 -1.11 0.00 0.00 175.55 173.30 3hae s HIS 114 N -2.20 -1.29 0.09 2.71 2.46 -1.26 -1.99 115.29 113.81 3hae s HIS 114 Ca -0.09 1.91 0.03 0.00 0.47 0.00 0.00 55.06 57.38 3hae s HIS 114 Cb -0.04 0.65 -0.04 0.00 -0.13 0.00 0.00 32.58 33.03 3hae s HIS 114 CO -0.03 -0.67 -0.09 -0.65 -2.47 0.00 0.00 174.74 170.84 3hae s GLN 115 N 2.83 0.79 -0.03 2.88 -0.21 0.45 -1.11 119.66 125.27 3hae s GLN 115 Ca 0.03 -1.15 -0.00 0.00 0.02 0.00 0.00 55.36 54.25 3hae s GLN 115 Cb -0.12 -0.38 0.03 0.00 1.00 0.00 0.00 33.01 33.53 3hae s GLN 115 CO -0.19 0.04 0.02 -0.47 -2.12 0.00 0.00 175.29 172.58 3hae s TYR 116 N -2.66 0.14 0.06 0.91 6.14 -0.09 -1.33 117.35 120.52 3hae s TYR 116 Ca 0.05 0.10 0.09 0.00 0.64 0.00 0.00 57.07 57.95 3hae s TYR 116 Cb -0.01 -0.34 -0.03 0.00 0.42 0.00 0.00 41.96 41.99 3hae s TYR 116 CO -0.01 -0.12 -0.24 0.00 0.64 0.00 0.00 175.55 175.81 3hae s ALA 117 N 1.25 2.40 -0.00 3.97 0.00 0.10 -0.24 121.76 129.23 3hae s ALA 117 Ca -0.07 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.68 3hae s ALA 117 Cb -0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3hae s ALA 117 CO -0.03 0.55 -0.24 -0.47 0.00 0.00 0.00 175.76 175.58 3hae s TYR 118 N -0.90 2.11 -1.23 0.00 5.04 -0.42 -1.62 117.35 120.34 3hae s TYR 118 Ca 0.13 -0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 54.25 3hae s TYR 118 Cb -0.10 -1.33 0.12 0.00 0.35 0.00 0.00 41.96 40.99 3hae s TYR 118 CO 0.04 0.01 0.29 -0.25 -1.34 0.00 0.00 175.55 174.29 3hae n ASP 119 N 2.31 -0.68 -0.18 4.32 8.00 0.16 -1.08 116.55 129.39 3hae n ASP 119 Ca -0.16 -0.87 -0.02 0.00 0.71 0.00 0.00 54.79 54.45 3hae n ASP 119 Cb 0.52 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.51 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 -1.25 0.58 3.30 0.44 0.00 -1.26 -4.99 105.19 102.01 3hae n GLY 120 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.71 1.20 0.70 1.61 1.02 -0.24 -5.12 119.74 117.19 3hae s LYS 121 Ca 0.00 -1.53 -0.17 0.00 0.02 0.00 0.00 55.97 54.29 3hae s LYS 121 Cb 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 3hae s LYS 121 CO 0.00 0.11 1.25 -0.25 -0.92 0.00 0.00 175.35 175.53 3hae n ASP 122 N -0.30 1.67 0.06 2.83 9.92 -1.26 -1.30 116.55 128.18 3hae n ASP 122 Ca -0.09 0.75 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 3hae n ASP 122 Cb 0.61 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 3hae n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hae n TYR 123 N -2.34 -0.63 -3.80 1.24 9.36 0.66 -4.50 117.16 117.15 3hae n TYR 123 Ca 0.15 0.11 -0.13 0.00 3.32 0.00 0.00 57.90 61.36 3hae n TYR 123 Cb 0.49 0.18 -0.12 0.00 -0.63 0.00 0.00 39.34 39.26 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 -1.74 -0.00 -0.00 2.97 -1.16 -1.01 -1.15 121.20 119.11 3hae s ILE 124 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 3hae s ILE 124 Cb 0.00 -0.29 -0.00 0.00 0.61 0.00 0.00 42.46 42.77 3hae s ILE 124 CO 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 174.94 172.11 3hae s ALA 125 N 0.14 0.21 -0.11 1.50 0.00 -0.37 -0.92 121.76 122.22 3hae s ALA 125 Ca -0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 3hae s ALA 125 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3hae s ALA 125 CO 0.00 0.05 0.94 -1.17 0.00 0.00 0.00 175.76 175.58 3hae s LEU 126 N -0.10 4.24 0.96 0.00 2.96 -0.27 -0.16 118.68 126.31 3hae s LEU 126 Ca 0.01 1.43 -0.11 0.00 -0.22 0.00 0.00 54.13 55.23 3hae s LEU 126 Cb -0.01 -3.45 0.17 0.00 0.50 0.00 0.00 46.19 43.40 3hae s LEU 126 CO -0.00 -0.40 1.09 -0.54 -1.32 0.00 0.00 176.35 175.18 3hae s LYS 127 N 1.89 0.73 0.48 1.98 1.02 0.16 -4.57 119.74 121.44 3hae s LYS 127 Ca 0.45 1.03 0.26 0.00 0.02 0.00 0.00 55.97 57.73 3hae s LYS 127 Cb -0.18 -1.73 1.32 0.00 -0.52 0.00 0.00 37.83 36.72 3hae s LYS 127 CO 0.17 -2.66 1.84 1.49 -0.92 0.00 0.00 175.35 175.27 3hae h GLU 128 N -1.86 0.17 -0.00 1.68 4.81 -1.90 -0.40 114.58 117.08 3hae h GLU 128 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3hae h GLU 128 Cb 1.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3hae h GLU 128 CO 0.50 0.12 0.00 -0.40 -0.73 0.00 0.00 179.01 178.50 3hae n ASP 129 N -4.39 0.46 -3.64 1.04 5.68 -1.26 -4.75 116.55 109.69 3hae n ASP 129 Ca 0.21 -1.16 -0.27 0.00 -0.50 0.00 0.00 54.79 53.08 3hae n ASP 129 Cb 0.94 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.90 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 -0.64 -1.58 0.00 -2.12 4.77 -0.16 -4.78 117.00 112.49 3hae n LEU 130 Ca 0.22 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hae n LEU 130 Cb 0.18 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.19 3hae n LEU 130 CO 0.17 0.20 -0.06 0.54 -1.33 0.00 0.00 177.39 176.91 3hae n ARG 131 N -3.93 4.58 -4.25 3.23 1.74 -1.26 -4.64 116.66 112.13 3hae n ARG 131 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 3hae n ARG 131 Cb 0.52 -0.51 -0.10 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.28 0.79 0.16 0.55 1.04 -1.26 -4.94 113.70 109.76 3hae s SER 132 Ca 0.00 -1.33 0.09 0.00 0.48 0.00 0.00 55.95 55.19 3hae s SER 132 Cb 0.00 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 3hae s SER 132 CO 0.00 -0.74 -0.14 0.26 0.98 0.00 0.00 173.24 173.60 3hae s TRP 133 N -3.89 2.56 -0.24 5.02 0.52 -1.26 -0.67 118.94 120.98 3hae s TRP 133 Ca 0.34 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.18 3hae s TRP 133 Cb 0.07 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 31.11 3hae s TRP 133 CO 0.10 0.47 -0.03 0.99 0.02 0.00 0.00 176.95 178.50 3hae s THR 134 N -1.49 3.32 -0.24 2.01 2.01 0.78 -4.85 115.64 117.18 3hae s THR 134 Ca 0.22 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 3hae s THR 134 Cb -0.09 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3hae s THR 134 CO 0.13 0.28 0.32 0.00 -0.69 0.00 0.00 174.62 174.67 3hae s ALA 135 N 1.43 3.57 0.32 7.40 0.00 -1.26 -1.23 121.76 131.99 3hae s ALA 135 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 3hae s ALA 135 Cb -0.16 -2.58 0.53 0.00 0.00 0.00 0.00 23.12 20.91 3hae s ALA 135 CO -0.03 -0.41 1.98 0.00 0.00 0.00 0.00 175.76 177.30 3hae h ALA 136 N 7.74 1.45 -2.83 0.00 0.00 -1.43 -3.47 119.26 120.72 3hae h ALA 136 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hae h ALA 136 Cb 1.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hae h ALA 136 CO 0.67 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 180.01 3hae n ASP 137 N -4.41 0.00 0.25 0.00 3.85 -1.26 -5.05 116.55 109.93 3hae n ASP 137 Ca 0.08 -0.24 -0.16 0.00 -0.71 0.00 0.00 54.79 53.76 3hae n ASP 137 Cb 0.05 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.74 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 -0.60 -0.51 0.11 1.85 -1.99 -3.04 114.93 110.75 3hae h MET 138 Ca 0.00 0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.22 3hae h MET 138 Cb 0.00 0.14 -0.07 0.00 0.43 0.00 0.00 31.60 32.10 3hae h MET 138 CO 0.00 -0.40 0.11 0.00 -0.40 0.00 0.00 176.91 176.22 3hae h ALA 139 N -0.06 0.58 0.00 0.39 0.00 -1.97 0.19 119.26 118.39 3hae h ALA 139 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hae h ALA 139 Cb 0.49 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hae h ALA 139 CO 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 3hae h ALA 140 N 1.39 1.22 -0.77 0.00 0.00 -1.84 -1.16 119.26 118.10 3hae h ALA 140 Ca 0.26 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.26 3hae h ALA 140 Cb 0.34 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3hae h ALA 140 CO -0.33 0.03 0.50 0.37 0.00 0.00 0.00 179.25 179.83 3hae h GLN 141 N 0.00 0.56 -0.29 0.00 5.75 -0.84 0.13 115.11 120.42 3hae h GLN 141 Ca -0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3hae h GLN 141 Cb 0.12 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3hae h GLN 141 CO 0.00 0.37 0.09 1.15 -2.65 0.00 0.00 178.83 177.79 3hae h THR 142 N 0.57 1.20 -0.27 2.39 2.02 -1.31 0.07 112.91 117.58 3hae h THR 142 Ca 0.37 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3hae h THR 142 Cb 0.63 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3hae h THR 142 CO -0.13 0.21 -0.08 0.74 0.37 0.00 0.00 175.52 176.63 3hae h THR 143 N 0.30 1.29 -0.58 3.16 2.02 -1.31 -1.71 112.91 116.08 3hae h THR 143 Ca 0.09 -1.11 0.11 0.00 0.77 0.00 0.00 66.41 66.27 3hae h THR 143 Cb 0.24 1.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.00 3hae h THR 143 CO -0.00 0.35 0.06 0.50 0.37 0.00 0.00 175.52 176.80 3hae h LYS 144 N 0.28 0.18 -0.32 6.66 3.64 -0.58 0.81 116.57 127.23 3hae h LYS 144 Ca 0.07 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3hae h LYS 144 Cb 0.56 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3hae h LYS 144 CO 0.03 0.12 -0.22 1.25 -2.27 0.00 0.00 179.45 178.36 3hae h HIS 145 N 0.18 0.68 0.50 1.91 2.76 -0.82 -0.33 115.15 120.03 3hae h HIS 145 Ca 0.30 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3hae h HIS 145 Cb 0.46 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.26 3hae h HIS 145 CO -0.30 0.78 -0.24 0.87 -1.30 0.00 0.00 177.93 177.74 3hae h LYS 146 N 0.54 -0.65 0.00 5.26 1.57 -0.30 -2.59 116.57 120.41 3hae h LYS 146 Ca 0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3hae h LYS 146 Cb 0.67 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3hae h LYS 146 CO 0.05 -0.43 0.08 -1.49 -0.57 0.00 0.00 179.45 177.09 3hae h TRP 147 N -0.71 0.00 0.47 -1.35 4.06 -0.83 0.12 115.95 117.71 3hae h TRP 147 Ca -0.07 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3hae h TRP 147 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3hae h TRP 147 CO 0.10 0.00 -0.23 0.93 -3.56 0.00 0.00 178.44 175.69 3hae h GLU 148 N 0.00 -0.61 -0.10 0.49 5.08 -1.00 -1.64 114.58 116.79 3hae h GLU 148 Ca 0.00 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3hae h GLU 148 Cb 0.17 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hae h GLU 148 CO 0.00 -0.36 -0.17 0.00 -1.00 0.00 0.00 179.01 177.48 3hae h ALA 149 N -1.04 1.53 0.00 3.43 0.00 -0.90 -0.57 119.26 121.71 3hae h ALA 149 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hae h ALA 149 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hae h ALA 149 CO 0.11 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3hae n ALA 150 N -2.49 2.62 -1.78 0.00 0.00 0.32 -4.91 120.51 114.27 3hae n ALA 150 Ca -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 3hae n ALA 150 Cb 0.28 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.03 -0.25 -0.34 0.00 8.25 -0.22 -4.87 115.22 116.76 3hae n HIS 151 Ca 0.22 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.81 3hae n HIS 151 Cb 0.12 -3.41 0.32 0.00 1.12 0.00 0.00 29.99 28.14 3hae n HIS 151 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hae h VAL 152 N 0.00 0.65 -0.39 1.59 2.07 -1.55 -2.47 116.25 116.15 3hae h VAL 152 Ca -0.41 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3hae h VAL 152 Cb 1.29 -0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3hae h VAL 152 CO 0.57 0.12 -0.51 0.00 0.02 0.00 0.00 177.57 177.77 3hae h ALA 153 N 1.66 -0.66 -0.80 1.67 0.00 -1.90 -1.78 119.26 117.45 3hae h ALA 153 Ca 0.58 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.70 3hae h ALA 153 Cb 0.96 1.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.65 3hae h ALA 153 CO -0.42 -0.99 0.12 0.93 0.00 0.00 0.00 179.25 178.90 3hae h GLU 154 N -0.39 0.17 0.45 0.00 3.07 -1.72 0.44 114.58 116.60 3hae h GLU 154 Ca 0.09 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 3hae h GLU 154 Cb 0.60 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3hae h GLU 154 CO -0.58 0.11 -0.22 0.37 -1.40 0.00 0.00 179.01 177.29 3hae h GLN 155 N 0.17 -0.59 -0.68 2.33 4.15 -1.48 -1.49 115.11 117.52 3hae h GLN 155 Ca 0.46 0.04 0.15 0.00 0.77 0.00 0.00 58.65 60.07 3hae h GLN 155 Cb 0.86 0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.57 3hae h GLN 155 CO -0.63 -0.30 0.04 -0.07 -1.93 0.00 0.00 178.83 175.94 3hae h LEU 156 N -0.83 -0.23 -0.14 -2.39 -0.00 -0.40 -2.49 115.31 108.82 3hae h LEU 156 Ca -0.06 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 3hae h LEU 156 Cb 0.56 0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.47 3hae h LEU 156 CO 0.10 -0.12 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.27 3hae h ARG 157 N 0.14 -0.05 -0.67 1.13 2.43 0.05 0.60 114.38 118.01 3hae h ARG 157 Ca 0.37 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.66 3hae h ARG 157 Cb 0.62 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 3hae h ARG 157 CO -0.57 -0.03 0.25 0.00 -1.51 0.00 0.00 179.97 178.12 3hae h ALA 158 N 1.08 0.90 0.00 2.80 0.00 -0.92 0.22 119.26 123.34 3hae h ALA 158 Ca 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hae h ALA 158 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hae h ALA 158 CO -0.18 -0.20 -0.00 -0.92 0.00 0.00 0.00 179.25 177.96 3hae h TYR 159 N 0.42 -0.00 -0.27 0.00 3.20 -0.90 -1.89 116.97 117.53 3hae h TYR 159 Ca 0.35 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 3hae h TYR 159 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3hae h TYR 159 CO -0.17 0.34 0.03 -0.07 -1.64 0.00 0.00 178.16 176.65 3hae h LEU 160 N -0.34 0.44 -1.05 2.82 3.38 -0.37 0.60 115.31 120.79 3hae h LEU 160 Ca -0.00 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3hae h LEU 160 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hae h LEU 160 CO 0.00 0.60 -0.37 -0.33 0.09 0.00 0.00 178.44 178.43 3hae h GLU 161 N 0.26 0.00 0.00 1.13 5.08 -0.64 -3.36 114.58 117.05 3hae h GLU 161 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hae h GLU 161 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hae h GLU 161 CO 0.01 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 3hae n GLY 162 N 0.07 0.27 0.31 -3.84 0.00 -0.71 -4.65 105.19 96.65 3hae n GLY 162 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.21 -0.30 2.61 2.02 -1.41 0.10 112.91 116.14 3hae h THR 163 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3hae h THR 163 Cb 0.00 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.56 3hae h THR 163 CO 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 3hae h VAL 165 N 0.01 1.40 -0.70 0.00 3.04 -1.41 -1.80 116.25 116.79 3hae h VAL 165 Ca 0.14 -2.02 -0.05 0.00 -1.01 0.00 0.00 66.70 63.76 3hae h VAL 165 Cb 0.21 2.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.51 3hae h VAL 165 CO -0.30 0.59 0.24 -0.33 -1.01 0.00 0.00 177.57 176.76 3hae h GLU 166 N 0.13 1.08 -0.04 4.17 5.08 -0.43 -0.57 114.58 124.00 3hae h GLU 166 Ca -0.01 -0.22 -0.24 0.00 -1.00 0.00 0.00 59.36 57.90 3hae h GLU 166 Cb 1.11 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.21 3hae h GLU 166 CO 0.09 0.92 -0.92 -1.49 -1.00 0.00 0.00 179.01 176.61 3hae h TRP 167 N 1.02 0.86 -0.06 4.33 4.06 -1.15 -1.79 115.95 123.23 3hae h TRP 167 Ca 0.23 -0.44 0.01 0.00 2.06 0.00 0.00 58.89 60.76 3hae h TRP 167 Cb 0.27 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3hae h TRP 167 CO 0.02 1.26 -0.03 1.25 -3.56 0.00 0.00 178.44 177.38 3hae h LEU 168 N 0.36 -0.09 -0.50 -4.49 5.85 -1.17 0.31 115.31 115.59 3hae h LEU 168 Ca -0.09 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3hae h LEU 168 Cb 1.55 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.53 3hae h LEU 168 CO 0.17 -0.04 -0.24 0.03 -0.34 0.00 0.00 178.44 178.03 3hae h ARG 169 N -0.02 -0.12 0.01 1.25 3.08 -1.00 0.12 114.38 117.70 3hae h ARG 169 Ca 0.03 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hae h ARG 169 Cb 0.07 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3hae h ARG 169 CO -0.08 -0.08 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.45 3hae h ARG 170 N -0.12 -0.32 -0.46 0.04 2.43 -0.79 -1.04 114.38 114.12 3hae h ARG 170 Ca 0.23 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 3hae h ARG 170 Cb 0.48 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3hae h ARG 170 CO -0.57 -0.21 0.23 1.88 -1.51 0.00 0.00 179.97 179.78 3hae h TYR 171 N -0.33 0.42 -0.95 2.20 0.05 0.57 -0.34 116.97 118.58 3hae h TYR 171 Ca 0.05 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3hae h TYR 171 Cb 0.40 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 3hae h TYR 171 CO -0.24 0.21 0.62 -0.07 -1.05 0.00 0.00 178.16 177.63 3hae h LEU 172 N 0.45 1.05 0.13 3.88 3.38 -0.54 0.23 115.31 123.89 3hae h LEU 172 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3hae h LEU 172 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hae h LEU 172 CO -0.14 0.72 -0.06 -0.33 0.09 0.00 0.00 178.44 178.72 3hae h GLU 173 N 1.22 -0.16 -0.51 1.13 5.08 -0.12 -1.32 114.58 119.89 3hae h GLU 173 Ca 0.37 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3hae h GLU 173 Cb -0.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3hae h GLU 173 CO -0.11 0.13 0.24 -0.91 -1.00 0.00 0.00 179.01 177.35 3hae h ASN 174 N -0.46 0.64 -0.43 1.42 -0.26 -0.77 -2.26 115.58 113.47 3hae h ASN 174 Ca -0.02 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3hae h ASN 174 Cb 0.37 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3hae h ASN 174 CO 0.03 0.56 0.00 0.61 -1.06 0.00 0.00 177.43 177.56 3hae n GLY 175 N -1.19 1.37 0.36 2.83 0.00 0.77 -4.64 105.19 104.68 3hae n GLY 175 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3hae n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hae h LYS 176 N 2.59 -0.00 -0.94 1.61 3.64 -0.61 0.30 116.57 123.16 3hae h LYS 176 Ca 0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 3hae h LYS 176 Cb 0.76 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 3hae h LYS 176 CO 0.06 -0.00 0.60 0.93 -2.27 0.00 0.00 179.45 178.77 3hae h GLU 177 N -0.01 0.57 0.00 1.90 3.07 -1.85 -2.71 114.58 115.55 3hae h GLU 177 Ca 0.43 -0.03 -0.40 0.00 -0.50 0.00 0.00 59.36 58.86 3hae h GLU 177 Cb 0.68 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 3hae h GLU 177 CO -0.98 0.38 -2.33 2.41 -1.40 0.00 0.00 179.01 177.08 3hae n THR 178 N -4.60 1.31 0.16 1.13 -1.04 0.77 -4.53 114.28 107.48 3hae n THR 178 Ca 0.20 -0.34 0.04 0.00 -2.04 0.00 0.00 64.05 61.91 3hae n THR 178 Cb 0.61 -1.79 0.18 0.00 -1.82 0.00 0.00 70.33 67.51 3hae n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hae h LEU 179 N -0.80 0.00 -2.71 -4.42 3.38 -0.66 -3.19 115.31 106.90 3hae h LEU 179 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3hae h LEU 179 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3hae h LEU 179 CO -0.35 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3hae n GLN 180 N -3.38 2.69 -1.80 1.13 6.02 -1.03 -4.95 117.38 116.07 3hae n GLN 180 Ca 0.01 -2.39 -0.31 0.00 -0.01 0.00 0.00 57.00 54.30 3hae n GLN 180 Cb 0.63 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.05 3.13 -0.08 -1.09 1.70 -1.21 -5.06 118.95 115.29 3hae s ARG 181 Ca 0.39 0.68 -0.01 0.00 -0.47 0.00 0.00 55.73 56.32 3hae s ARG 181 Cb 0.21 -2.03 0.03 0.00 -0.57 0.00 0.00 34.95 32.58 3hae s ARG 181 CO 0.27 -0.89 -0.03 0.95 -1.08 0.00 0.00 175.30 174.52 3hae s THR 182 N -3.21 0.58 -0.45 4.99 -4.23 -1.26 -4.71 115.64 107.34 3hae s THR 182 Ca 0.57 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.89 3hae s THR 182 Cb -0.12 -0.68 0.04 0.00 1.34 0.00 0.00 72.50 73.09 3hae s THR 182 CO 0.53 0.28 0.45 -1.81 -0.54 0.00 0.00 174.62 173.54 3hae s ASP 183 N 1.74 6.18 0.38 3.99 1.01 0.56 -4.89 116.67 125.65 3hae s ASP 183 Ca 0.03 -0.95 -0.23 0.00 0.71 0.00 0.00 52.55 52.10 3hae s ASP 183 Cb -0.13 -2.22 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 3hae s ASP 183 CO -0.05 -0.65 0.56 0.00 0.21 0.00 0.00 175.17 175.24 3hae n ALA 184 N 5.55 -1.62 -1.88 5.23 0.00 -1.26 -1.96 120.51 124.57 3hae n ALA 184 Ca -0.09 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 3hae n ALA 184 Cb 0.46 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.47 4.34 -0.22 0.00 0.02 -1.26 -4.48 135.00 131.92 3hae s PRO 185 Ca 0.62 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 63.62 3hae s PRO 185 Cb -0.65 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 3hae s PRO 185 CO 0.58 -0.29 0.70 0.15 -0.33 0.00 0.00 177.00 177.81 3hae s LYS 186 N -0.75 4.18 0.02 5.54 1.02 0.07 -4.87 119.74 124.95 3hae s LYS 186 Ca 0.55 0.71 0.08 0.00 0.02 0.00 0.00 55.97 57.33 3hae s LYS 186 Cb -0.39 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 3hae s LYS 186 CO 0.45 -0.36 -0.23 0.95 -0.92 0.00 0.00 175.35 175.24 3hae s THR 187 N 2.31 2.38 0.27 2.17 -4.23 -1.26 -0.11 115.64 117.17 3hae s THR 187 Ca 0.30 -1.21 -0.17 0.00 -1.18 0.00 0.00 61.69 59.43 3hae s THR 187 Cb -0.16 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3hae s THR 187 CO 0.09 0.43 0.62 -1.38 -0.54 0.00 0.00 174.62 173.84 3hae s HIS 188 N -0.78 0.07 -0.06 3.99 -3.43 -1.12 -5.01 115.29 108.95 3hae s HIS 188 Ca 0.12 -0.50 0.05 0.00 -0.80 0.00 0.00 55.06 53.93 3hae s HIS 188 Cb -0.10 0.49 -0.00 0.00 -1.43 0.00 0.00 32.58 31.53 3hae s HIS 188 CO 0.02 -1.15 -0.21 1.41 -2.00 0.00 0.00 174.74 172.81 3hae s MET 189 N -3.88 2.24 0.29 -0.38 1.75 -1.26 -0.89 119.30 117.18 3hae s MET 189 Ca 0.16 -0.75 0.08 0.00 -1.25 0.00 0.00 55.69 53.93 3hae s MET 189 Cb -0.04 -1.88 -0.04 0.00 2.84 0.00 0.00 34.83 35.71 3hae s MET 189 CO 0.08 0.28 0.11 0.95 -0.65 0.00 0.00 175.02 175.79 3hae s THR 190 N 0.03 3.52 -0.08 10.11 -4.23 0.58 -4.97 115.64 120.60 3hae s THR 190 Ca -0.06 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 3hae s THR 190 Cb -0.13 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.72 3hae s THR 190 CO 0.04 -0.29 0.18 -2.28 -0.54 0.00 0.00 174.62 171.73 3hae s HIS 191 N -2.32 -0.23 -0.08 3.99 5.65 -1.26 -1.39 115.29 119.66 3hae s HIS 191 Ca 0.34 0.60 0.02 0.00 0.25 0.00 0.00 55.06 56.28 3hae s HIS 191 Cb -0.05 -0.05 0.01 0.00 -1.18 0.00 0.00 32.58 31.31 3hae s HIS 191 CO 0.22 -0.20 -0.14 -1.01 -0.65 0.00 0.00 174.74 172.96 3hae s HIS 192 N 1.31 1.70 -0.64 3.88 3.76 -0.51 -4.98 115.29 119.80 3hae s HIS 192 Ca -0.08 -0.67 -0.27 0.00 -0.15 0.00 0.00 55.06 53.88 3hae s HIS 192 Cb -0.11 -1.22 0.02 0.00 1.11 0.00 0.00 32.58 32.38 3hae s HIS 192 CO -0.07 -0.33 1.37 0.00 -0.85 0.00 0.00 174.74 174.87 3hae s ALA 193 N 0.67 2.75 0.43 -1.40 0.00 -1.26 -0.85 121.76 122.09 3hae s ALA 193 Ca -0.14 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 50.95 3hae s ALA 193 Cb -0.16 -4.18 0.93 0.00 0.00 0.00 0.00 23.12 19.72 3hae s ALA 193 CO 0.04 -3.14 2.01 0.28 0.00 0.00 0.00 175.76 174.96 3hae h VAL 194 N 6.26 1.11 -1.70 0.00 2.07 -1.81 -3.48 116.25 118.70 3hae h VAL 194 Ca -0.27 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3hae h VAL 194 Cb 1.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3hae h VAL 194 CO 1.22 0.14 0.25 -1.54 0.02 0.00 0.00 177.57 177.67 3hae n SER 195 N -4.40 -0.50 0.12 0.57 3.41 -1.18 -4.95 113.62 106.70 3hae n SER 195 Ca -0.00 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 3hae n SER 195 Cb 0.17 0.79 0.48 0.00 -0.26 0.00 0.00 64.21 65.39 3hae n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hae n ASP 196 N -0.65 0.56 -0.06 4.04 10.43 -1.26 -3.61 116.55 126.00 3hae n ASP 196 Ca 0.00 0.67 -0.06 0.00 2.57 0.00 0.00 54.79 57.97 3hae n ASP 196 Cb 0.20 -0.77 -0.11 0.00 1.84 0.00 0.00 41.12 42.27 3hae n ASP 196 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3hae n HIS 197 N -2.15 0.00 -4.19 1.24 8.25 -1.26 -4.79 115.22 112.33 3hae n HIS 197 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3hae n HIS 197 Cb 0.17 -0.66 -0.10 0.00 1.12 0.00 0.00 29.99 30.52 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 -2.40 0.93 -0.08 -0.41 2.02 -1.24 -1.88 118.70 115.64 3hae s GLU 198 Ca -0.07 -1.41 -0.09 0.00 0.02 0.00 0.00 54.97 53.43 3hae s GLU 198 Cb 0.05 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.14 3hae s GLU 198 CO 0.58 -0.09 0.24 0.00 0.02 0.00 0.00 175.26 176.01 3hae s ALA 199 N -3.69 -0.59 -0.14 5.21 0.00 -0.13 -2.32 121.76 120.09 3hae s ALA 199 Ca 0.17 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 3hae s ALA 199 Cb 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 3hae s ALA 199 CO -0.01 -0.13 0.26 0.99 0.00 0.00 0.00 175.76 176.87 3hae s THR 200 N -0.04 5.32 -0.26 0.00 2.01 -0.03 -0.63 115.64 122.01 3hae s THR 200 Ca -0.02 0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 3hae s THR 200 Cb -0.02 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3hae s THR 200 CO 0.01 0.45 0.00 -0.76 -0.69 0.00 0.00 174.62 173.63 3hae s LEU 201 N 0.05 3.35 -0.17 4.42 1.43 -0.13 -1.43 118.68 126.19 3hae s LEU 201 Ca 0.16 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3hae s LEU 201 Cb -0.13 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3hae s LEU 201 CO 0.04 -0.11 -0.11 -0.60 0.23 0.00 0.00 176.35 175.81 3hae s ARG 202 N 1.46 3.34 -0.30 1.70 3.52 -0.48 -1.67 118.95 126.51 3hae s ARG 202 Ca 0.03 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 54.86 3hae s ARG 202 Cb -0.16 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 3hae s ARG 202 CO -0.01 0.02 0.14 0.00 -0.81 0.00 0.00 175.30 174.63 3hae s TRP 204 N 1.63 3.06 -0.23 0.00 0.52 -0.06 -1.28 118.94 122.57 3hae s TRP 204 Ca 0.05 0.07 -0.02 0.00 0.02 0.00 0.00 56.10 56.22 3hae s TRP 204 Cb -0.17 -1.66 0.07 0.00 -1.15 0.00 0.00 33.47 30.57 3hae s TRP 204 CO 0.06 0.46 0.04 0.00 0.02 0.00 0.00 176.95 177.53 3hae s ALA 205 N -1.10 1.27 0.12 0.98 0.00 -0.57 -2.79 121.76 119.67 3hae s ALA 205 Ca 0.20 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3hae s ALA 205 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3hae s ALA 205 CO 0.11 -1.30 -0.00 -0.51 0.00 0.00 0.00 175.76 174.06 3hae s LEU 206 N 1.73 3.39 -1.05 0.00 1.43 0.85 -1.86 118.68 123.16 3hae s LEU 206 Ca 0.01 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3hae s LEU 206 Cb -0.17 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3hae s LEU 206 CO -0.12 0.14 0.89 -1.20 0.23 0.00 0.00 176.35 176.30 3hae n SER 207 N 0.32 -3.08 -4.54 2.29 7.64 -0.48 -0.75 113.62 115.02 3hae n SER 207 Ca -0.11 -0.51 -0.24 0.00 1.01 0.00 0.00 58.87 59.03 3hae n SER 207 Cb 0.53 -4.40 -0.09 0.00 -1.01 0.00 0.00 64.21 59.24 3hae n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hae s PHE 208 N -3.30 2.45 -0.28 1.43 -0.12 -0.95 -4.61 117.98 112.60 3hae s PHE 208 Ca 0.14 -0.29 -0.17 0.00 -0.05 0.00 0.00 56.93 56.55 3hae s PHE 208 Cb -0.06 -1.08 0.10 0.00 -0.63 0.00 0.00 43.02 41.35 3hae s PHE 208 CO 0.62 0.68 0.78 -0.47 -0.05 0.00 0.00 175.22 176.77 3hae s TYR 209 N -2.44 -0.89 0.72 3.49 5.04 -0.83 -0.43 117.35 122.02 3hae s TYR 209 Ca 0.31 1.84 -0.12 0.00 -2.44 0.00 0.00 57.07 56.65 3hae s TYR 209 Cb -0.05 0.52 0.17 0.00 0.35 0.00 0.00 41.96 42.95 3hae s TYR 209 CO 0.17 -0.44 0.76 -0.35 -1.34 0.00 0.00 175.55 174.35 3hae n PRO 210 N 3.89 -1.76 0.08 4.97 -0.04 -1.26 -0.32 135.00 140.55 3hae n PRO 210 Ca -0.19 -1.20 0.13 0.00 -0.04 0.00 0.00 63.50 62.20 3hae n PRO 210 Cb 0.58 -0.98 0.46 0.00 -0.04 0.00 0.00 33.50 33.53 3hae n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hae n ALA 211 N -3.94 2.19 -1.80 0.55 0.00 -1.26 -4.73 120.51 111.52 3hae n ALA 211 Ca -0.13 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 3hae n ALA 211 Cb 0.37 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3hae n ALA 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hae s GLU 212 N -3.10 3.41 0.05 0.00 2.56 -1.26 -4.96 118.70 115.40 3hae s GLU 212 Ca 0.11 1.88 -0.09 0.00 0.00 0.00 0.00 54.97 56.87 3hae s GLU 212 Cb 0.13 -4.25 0.00 0.00 2.00 0.00 0.00 34.13 32.02 3hae s GLU 212 CO 0.54 -1.77 0.18 -1.50 -0.56 0.00 0.00 175.26 172.14 3hae s ILE 213 N 6.98 0.12 -0.12 -3.70 2.07 -1.26 -4.57 121.20 120.71 3hae s ILE 213 Ca 0.89 -0.97 -0.01 0.00 -1.41 0.00 0.00 60.65 59.15 3hae s ILE 213 Cb -0.30 -0.96 0.03 0.00 0.13 0.00 0.00 42.46 41.36 3hae s ILE 213 CO 0.35 -0.53 -0.04 -0.89 -1.91 0.00 0.00 174.94 171.91 3hae s THR 214 N -2.74 0.82 -0.25 4.00 2.01 -0.71 -5.01 115.64 113.77 3hae s THR 214 Ca -0.04 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 3hae s THR 214 Cb -0.00 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3hae s THR 214 CO -0.05 0.23 0.01 -0.76 -0.69 0.00 0.00 174.62 173.36 3hae s LEU 215 N 1.78 3.25 0.18 4.42 1.43 -1.26 -0.89 118.68 127.60 3hae s LEU 215 Ca 0.03 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3hae s LEU 215 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3hae s LEU 215 CO -0.07 -0.07 -0.20 0.42 0.23 0.00 0.00 176.35 176.66 3hae s THR 216 N 1.50 1.99 -0.07 5.49 -4.23 -0.51 -4.98 115.64 114.83 3hae s THR 216 Ca 0.05 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3hae s THR 216 Cb -0.15 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3hae s THR 216 CO -0.01 -0.29 0.08 0.26 -0.54 0.00 0.00 174.62 174.12 3hae s TRP 217 N -2.04 3.35 0.09 3.99 0.52 -1.26 -0.49 118.94 123.09 3hae s TRP 217 Ca 0.18 0.30 0.06 0.00 0.02 0.00 0.00 56.10 56.67 3hae s TRP 217 Cb -0.06 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3hae s TRP 217 CO 0.08 0.58 -0.16 -0.65 0.02 0.00 0.00 176.95 176.83 3hae s GLN 218 N -1.24 0.95 -0.09 4.98 -0.21 -0.06 -1.26 119.66 122.72 3hae s GLN 218 Ca 0.17 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.48 3hae s GLN 218 Cb -0.12 -0.97 0.02 0.00 1.00 0.00 0.00 33.01 32.94 3hae s GLN 218 CO 0.07 0.21 -0.13 0.50 -2.12 0.00 0.00 175.29 173.82 3hae s ARG 219 N -2.07 1.89 -1.76 2.91 3.52 -0.42 -1.24 118.95 121.77 3hae s ARG 219 Ca 0.03 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.01 3hae s ARG 219 Cb -0.08 -1.64 0.17 0.00 -1.56 0.00 0.00 34.95 31.84 3hae s ARG 219 CO 0.03 -0.06 0.56 -0.25 -0.81 0.00 0.00 175.30 174.77 3hae n ASP 220 N 4.17 -1.81 -0.45 -2.12 10.43 -0.49 -0.97 116.55 125.31 3hae n ASP 220 Ca -0.19 -1.17 -0.06 0.00 2.57 0.00 0.00 54.79 55.94 3hae n ASP 220 Cb 0.51 -2.02 -0.03 0.00 1.84 0.00 0.00 41.12 41.42 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 -1.42 0.81 3.30 0.44 0.00 -1.26 -5.03 105.19 102.03 3hae n GLY 221 Ca 0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.12 1.47 0.17 1.61 4.04 -0.14 -5.08 118.70 118.64 3hae s GLU 222 Ca 0.00 -1.07 -0.33 0.00 0.04 0.00 0.00 54.97 53.60 3hae s GLU 222 Cb 0.00 -1.67 -0.15 0.00 0.02 0.00 0.00 34.13 32.33 3hae s GLU 222 CO 0.00 0.42 1.38 -0.25 -1.84 0.00 0.00 175.26 174.97 3hae n ASP 223 N 1.59 2.25 -3.99 0.83 8.00 -1.26 -1.30 116.55 122.68 3hae n ASP 223 Ca -0.18 1.12 -0.30 0.00 0.71 0.00 0.00 54.79 56.15 3hae n ASP 223 Cb 0.53 -1.32 -0.16 0.00 -0.02 0.00 0.00 41.12 40.14 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 0.13 2.04 -0.05 -1.24 2.00 -0.39 -4.81 119.66 117.35 3hae s GLN 224 Ca 0.76 -0.66 0.02 0.00 -2.00 0.00 0.00 55.36 53.48 3hae s GLN 224 Cb -0.77 -2.20 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 3hae s GLN 224 CO 0.47 -0.34 -0.01 -2.37 -0.50 0.00 0.00 175.29 172.53 3hae n THR 225 N 4.75 0.30 -2.12 -0.34 5.66 -1.26 -4.36 114.28 116.92 3hae n THR 225 Ca -0.15 -0.15 -0.37 0.00 -3.05 0.00 0.00 64.05 60.32 3hae n THR 225 Cb 0.48 -0.80 0.01 0.00 -1.55 0.00 0.00 70.33 68.47 3hae n THR 225 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3hae s GLN 226 N -2.11 3.54 -1.34 1.09 0.74 -1.26 -3.57 119.66 116.75 3hae s GLN 226 Ca -0.04 1.89 -0.08 0.00 0.05 0.00 0.00 55.36 57.18 3hae s GLN 226 Cb 0.02 -2.33 0.01 0.00 1.10 0.00 0.00 33.01 31.81 3hae s GLN 226 CO 0.15 -0.76 1.16 -0.25 -0.55 0.00 0.00 175.29 175.04 3hae n ASP 227 N -0.72 -5.83 -4.04 6.67 8.00 -1.26 -4.90 116.55 114.48 3hae n ASP 227 Ca 0.09 -0.55 -0.27 0.00 0.71 0.00 0.00 54.79 54.76 3hae n ASP 227 Cb 0.47 -5.05 -0.17 0.00 -0.02 0.00 0.00 41.12 36.36 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 -3.33 1.36 -0.05 -3.53 2.01 -1.23 -2.27 115.64 108.60 3hae s THR 228 Ca 0.51 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3hae s THR 228 Cb -0.23 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3hae s THR 228 CO 0.73 0.41 -0.13 -0.70 -0.69 0.00 0.00 174.62 174.24 3hae s GLU 229 N 0.94 2.53 -0.10 4.92 2.12 -0.18 -4.97 118.70 123.95 3hae s GLU 229 Ca -0.08 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 3hae s GLU 229 Cb -0.15 -2.41 0.05 0.00 0.26 0.00 0.00 34.13 31.88 3hae s GLU 229 CO -0.00 0.63 0.21 -1.17 -0.54 0.00 0.00 175.26 174.38 3hae s LEU 230 N -0.82 -0.09 0.37 2.70 2.96 -1.26 -0.16 118.68 122.37 3hae s LEU 230 Ca 0.12 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 3hae s LEU 230 Cb -0.11 0.48 -0.07 0.00 0.50 0.00 0.00 46.19 47.00 3hae s LEU 230 CO 0.01 -0.23 0.72 0.68 -1.32 0.00 0.00 176.35 176.21 3hae s VAL 231 N 2.22 4.81 0.37 1.68 -7.23 -1.04 -5.04 120.40 116.17 3hae s VAL 231 Ca 0.01 0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 60.51 3hae s VAL 231 Cb -0.12 -3.71 -0.11 0.00 0.56 0.00 0.00 36.38 33.00 3hae s VAL 231 CO -0.07 -0.42 1.19 -0.62 -0.31 0.00 0.00 175.10 174.87 3hae n GLU 232 N -1.04 1.81 -1.71 4.82 1.02 -1.26 -4.59 120.64 119.70 3hae n GLU 232 Ca 0.02 0.64 -0.43 0.00 -0.02 0.00 0.00 57.16 57.37 3hae n GLU 232 Cb 0.54 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 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 0.00 0.52 -4.68 2.62 -1.04 -1.26 -4.82 114.28 105.61 3hae n THR 233 Ca 0.07 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 3hae n THR 233 Cb 0.37 -1.79 -0.14 0.00 -1.82 0.00 0.00 70.33 66.95 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 0.27 1.75 0.02 -2.82 1.70 0.11 -4.96 118.95 115.02 3hae s ARG 234 Ca 0.71 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 3hae s ARG 234 Cb -0.56 -2.01 -0.06 0.00 -0.57 0.00 0.00 34.95 31.75 3hae s ARG 234 CO 0.42 0.50 1.35 -1.25 -1.08 0.00 0.00 175.30 175.24 3hae s PRO 235 N -1.56 4.32 0.30 3.89 0.04 -1.26 -0.61 135.00 140.12 3hae s PRO 235 Ca 0.13 1.93 0.12 0.00 0.04 0.00 0.00 61.00 63.21 3hae s PRO 235 Cb -0.10 -3.49 0.44 0.00 0.04 0.00 0.00 34.50 31.39 3hae s PRO 235 CO 0.04 -0.50 1.65 0.00 0.04 0.00 0.00 177.00 178.24 3hae h ALA 236 N 7.49 1.04 0.00 8.56 0.00 -1.05 -3.46 119.26 131.84 3hae h ALA 236 Ca -0.39 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3hae h ALA 236 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hae h ALA 236 CO 0.88 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.24 3hae n GLY 237 N 0.14 1.03 0.66 0.00 0.00 -1.25 -4.91 105.19 100.86 3hae n GLY 237 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 1.49 0.00 1.61 5.75 -1.26 -4.95 116.55 119.19 3hae n ASP 238 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 3hae n ASP 238 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 -0.70 2.48 4.02 6.12 0.00 -1.26 -5.04 105.19 110.82 3hae n GLY 239 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3hae n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hae s THR 240 N -2.31 2.32 0.16 2.61 -4.23 -1.26 -4.91 115.64 108.02 3hae s THR 240 Ca 0.00 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 3hae s THR 240 Cb 0.00 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 3hae s THR 240 CO 0.00 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 3hae s PHE 241 N -2.66 1.35 0.06 3.99 0.40 0.43 -0.41 117.98 121.15 3hae s PHE 241 Ca 0.61 -0.73 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 3hae s PHE 241 Cb -0.07 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 3hae s PHE 241 CO 0.38 0.13 -0.13 -0.65 0.70 0.00 0.00 175.22 175.65 3hae s GLN 242 N -3.73 0.79 0.05 0.44 -0.21 0.22 -1.38 119.66 115.85 3hae s GLN 242 Ca 0.18 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 3hae s GLN 242 Cb 0.02 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.26 3hae s GLN 242 CO 0.02 0.17 0.23 0.21 -2.12 0.00 0.00 175.29 173.80 3hae s LYS 243 N -1.62 0.74 0.06 2.91 2.20 -0.78 0.08 119.74 123.33 3hae s LYS 243 Ca -0.02 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.91 3hae s LYS 243 Cb -0.10 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3hae s LYS 243 CO 0.02 -0.22 0.11 1.67 -0.36 0.00 0.00 175.35 176.57 3hae s TRP 244 N -2.67 0.25 -0.02 4.03 1.48 -1.26 -1.52 118.94 119.24 3hae s TRP 244 Ca -0.04 -0.68 0.03 0.00 -1.06 0.00 0.00 56.10 54.35 3hae s TRP 244 Cb -0.01 -0.16 -0.00 0.00 -1.16 0.00 0.00 33.47 32.14 3hae s TRP 244 CO -0.04 -0.45 -0.11 0.00 -4.06 0.00 0.00 176.95 172.28 3hae s ALA 245 N -3.51 0.98 0.06 2.67 0.00 -0.41 -2.48 121.76 119.08 3hae s ALA 245 Ca 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.59 3hae s ALA 245 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3hae s ALA 245 CO -0.09 0.20 -0.13 0.00 0.00 0.00 0.00 175.76 175.73 3hae s ALA 246 N -0.02 1.09 0.10 0.00 0.00 0.77 -0.34 121.76 123.36 3hae s ALA 246 Ca -0.00 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.09 3hae s ALA 246 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3hae s ALA 246 CO 0.00 0.15 -0.21 0.14 0.00 0.00 0.00 175.76 175.84 3hae s VAL 247 N -1.25 1.73 -0.09 0.00 -7.23 -0.67 -1.01 120.40 111.87 3hae s VAL 247 Ca -0.03 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3hae s VAL 247 Cb -0.10 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 3hae s VAL 247 CO 0.02 -0.06 0.24 0.68 -0.31 0.00 0.00 175.10 175.67 3hae s VAL 248 N -1.17 5.33 0.02 1.32 -7.23 -0.96 -0.96 120.40 116.75 3hae s VAL 248 Ca 0.07 0.44 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 3hae s VAL 248 Cb -0.10 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 3hae s VAL 248 CO 0.04 0.57 -0.05 0.68 -0.31 0.00 0.00 175.10 176.04 3hae s VAL 249 N -0.80 0.30 0.25 1.32 -7.23 0.20 -4.93 120.40 109.51 3hae s VAL 249 Ca 0.17 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 3hae s VAL 249 Cb -0.14 -0.37 -0.11 0.00 0.56 0.00 0.00 36.38 36.33 3hae s VAL 249 CO 0.07 -0.29 1.54 -2.16 -0.31 0.00 0.00 175.10 173.94 3hae s PRO 250 N -1.10 4.19 0.07 4.82 0.04 -1.26 -0.95 135.00 140.81 3hae s PRO 250 Ca -0.09 2.44 -0.36 0.00 0.04 0.00 0.00 61.00 63.02 3hae s PRO 250 Cb -0.07 -3.08 -0.18 0.00 0.04 0.00 0.00 34.50 31.20 3hae s PRO 250 CO -0.00 -0.55 1.03 0.43 0.04 0.00 0.00 177.00 177.94 3hae n SER 251 N 2.69 0.22 0.00 6.66 7.64 -0.79 -1.46 113.62 128.58 3hae n SER 251 Ca 0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3hae n SER 251 Cb 0.38 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.81 1.26 0.28 0.23 0.00 -1.26 -4.86 105.19 102.64 3hae n GLY 252 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 1.77 -0.34 1.61 6.02 -0.54 -4.69 117.38 119.21 3hae n GLN 253 Ca 0.00 -1.42 0.21 0.00 -0.01 0.00 0.00 57.00 55.78 3hae n GLN 253 Cb 0.00 -1.12 0.45 0.00 1.02 0.00 0.00 30.24 30.59 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 1.01 0.44 0.00 -1.09 3.07 -1.90 -1.99 114.58 114.14 3hae h GLU 254 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3hae h GLU 254 Cb 0.47 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3hae h GLU 254 CO 0.00 0.29 -0.01 1.96 -1.40 0.00 0.00 179.01 179.86 3hae h GLN 255 N 0.46 0.00 0.00 2.33 1.08 -1.91 -2.39 115.11 114.67 3hae h GLN 255 Ca 0.65 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.85 3hae h GLN 255 Cb 1.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 3hae h GLN 255 CO -0.44 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.45 3hae h ARG 256 N 0.00 0.00 -5.80 1.46 2.47 -1.74 -3.45 114.38 107.33 3hae h ARG 256 Ca -0.00 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.10 3hae h ARG 256 Cb 0.05 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.30 3hae h ARG 256 CO 0.00 0.00 -0.30 0.71 0.56 0.00 0.00 179.97 180.94 3hae s TYR 257 N -3.44 3.63 0.02 3.04 1.51 -0.90 -1.39 117.35 119.82 3hae s TYR 257 Ca 0.04 0.78 0.03 0.00 -1.01 0.00 0.00 57.07 56.91 3hae s TYR 257 Cb 0.07 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3hae s TYR 257 CO 0.59 0.58 -0.09 0.95 -1.11 0.00 0.00 175.55 176.47 3hae s THR 258 N -0.72 0.71 -0.13 -0.71 -4.23 -0.38 -4.39 115.64 105.79 3hae s THR 258 Ca 0.20 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 3hae s THR 258 Cb -0.15 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 3hae s THR 258 CO 0.09 -0.05 0.03 0.00 -0.54 0.00 0.00 174.62 174.15 3hae s HIS 260 N -0.40 2.77 -0.16 0.00 3.76 0.35 -0.01 115.29 121.59 3hae s HIS 260 Ca 0.08 -1.24 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 3hae s HIS 260 Cb -0.12 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 3hae s HIS 260 CO 0.02 -0.59 -0.07 0.08 -0.85 0.00 0.00 174.74 173.33 3hae s VAL 261 N 0.98 3.44 -0.05 -0.90 1.01 -0.65 -1.43 120.40 122.80 3hae s VAL 261 Ca -0.03 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3hae s VAL 261 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3hae s VAL 261 CO -0.04 0.49 -0.21 -1.10 0.00 0.00 0.00 175.10 174.24 3hae s GLN 262 N 0.66 2.18 -0.17 2.72 -0.21 -0.06 -1.99 119.66 122.79 3hae s GLN 262 Ca -0.04 -0.77 -0.28 0.00 0.02 0.00 0.00 55.36 54.29 3hae s GLN 262 Cb -0.15 -1.87 0.07 0.00 1.00 0.00 0.00 33.01 32.06 3hae s GLN 262 CO 0.02 0.32 0.71 -1.58 -2.12 0.00 0.00 175.29 172.65 3hae s HIS 263 N -0.08 -0.72 0.47 0.91 2.46 -1.26 -1.74 115.29 115.33 3hae s HIS 263 Ca -0.03 1.55 0.18 0.00 0.47 0.00 0.00 55.06 57.23 3hae s HIS 263 Cb -0.13 0.34 1.18 0.00 -0.13 0.00 0.00 32.58 33.84 3hae s HIS 263 CO 0.03 -0.48 1.98 1.49 -2.47 0.00 0.00 174.74 175.29 3hae h GLU 264 N 4.08 0.24 0.00 2.88 4.81 -1.95 -1.70 114.58 122.94 3hae h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3hae h GLU 264 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3hae h GLU 264 CO 0.20 0.16 0.00 0.78 -0.73 0.00 0.00 179.01 179.42 3hae h GLY 265 N 0.24 0.00 -6.46 1.92 0.00 -1.87 -3.44 103.07 93.46 3hae h GLY 265 Ca 0.27 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.00 3hae h GLY 265 CO -0.06 0.00 -0.45 1.08 0.00 0.00 0.00 176.54 177.11 3hae s LEU 266 N -5.24 4.18 0.17 3.11 1.43 -0.64 -4.56 118.68 117.13 3hae s LEU 266 Ca -0.00 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3hae s LEU 266 Cb 0.09 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 44.21 3hae s LEU 266 CO 0.38 0.12 1.65 -0.65 0.23 0.00 0.00 176.35 178.08 3hae h PRO 267 N 6.96 0.96 -5.40 1.29 0.11 -1.86 -3.42 132.00 130.64 3hae h PRO 267 Ca -0.40 -0.27 -0.45 0.00 0.11 0.00 0.00 66.00 64.99 3hae h PRO 267 Cb 1.16 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 31.92 3hae h PRO 267 CO 0.73 0.93 -0.79 0.15 -0.21 0.00 0.00 178.00 178.80 3hae s LYS 268 N -5.15 0.95 0.55 1.05 -0.14 -1.26 -5.13 119.74 110.61 3hae s LYS 268 Ca -0.12 -0.81 -0.21 0.00 -1.36 0.00 0.00 55.97 53.46 3hae s LYS 268 Cb 0.13 -0.97 -0.04 0.00 -1.68 0.00 0.00 37.83 35.26 3hae s LYS 268 CO 0.83 0.24 1.30 -2.14 -0.76 0.00 0.00 175.35 174.81 3hae s PRO 269 N -1.26 3.12 0.27 -1.68 0.02 -1.26 -5.00 135.00 129.21 3hae s PRO 269 Ca 0.01 2.07 -0.06 0.00 0.02 0.00 0.00 61.00 63.05 3hae s PRO 269 Cb -0.08 -2.17 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 3hae s PRO 269 CO 0.02 -1.15 0.55 -0.51 -0.33 0.00 0.00 177.00 175.57 3hae s LEU 270 N -3.66 4.09 -0.16 -5.54 1.43 -0.84 -4.93 118.68 109.08 3hae s LEU 270 Ca 0.73 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3hae s LEU 270 Cb -0.37 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.32 3hae s LEU 270 CO 0.42 -0.16 -0.14 -0.89 0.23 0.00 0.00 176.35 175.81 3hae s THR 271 N -2.00 1.62 0.01 5.49 2.01 -1.26 -1.63 115.64 119.88 3hae s THR 271 Ca 0.45 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3hae s THR 271 Cb -0.11 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3hae s THR 271 CO 0.28 0.43 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.75 3hae s LEU 272 N 1.46 2.86 -0.03 4.42 1.02 0.98 -4.93 118.68 124.46 3hae s LEU 272 Ca 0.04 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.96 3hae s LEU 272 Cb -0.13 -1.65 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 3hae s LEU 272 CO -0.11 0.28 -0.12 -0.60 0.02 0.00 0.00 176.35 175.83 3hae s ARG 273 N -1.30 1.21 -0.37 1.70 3.52 -1.26 0.61 118.95 123.05 3hae s ARG 273 Ca 0.15 -0.41 -0.42 0.00 -0.13 0.00 0.00 55.73 54.92 3hae s ARG 273 Cb -0.11 -1.10 -0.17 0.00 -1.56 0.00 0.00 34.95 32.01 3hae s ARG 273 CO 0.05 0.17 1.83 1.87 -0.81 0.00 0.00 175.30 178.42 3hae n TRP 274 N 3.17 1.80 -3.47 5.12 -0.00 -1.26 -4.92 117.44 117.88 3hae n TRP 274 Ca -0.18 0.68 -0.43 0.00 -0.00 0.00 0.00 57.50 57.57 3hae n TRP 274 Cb 0.54 -2.39 -0.07 0.00 -0.00 0.00 0.00 31.31 29.39 3hae n TRP 274 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 3hae s GLU 275 N 4.14 2.80 0.00 5.87 2.12 -1.26 -4.92 118.70 127.45 3hae s GLU 275 Ca 1.05 -1.94 0.00 0.00 0.36 0.00 0.00 54.97 54.43 3hae s GLU 275 Cb -1.20 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 29.10 3hae s GLU 275 CO 0.67 -1.24 0.00 -2.30 -0.54 0.00 0.00 175.26 171.85