#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n SER 2 N 0.00 -2.21 -3.85 1.61 7.64 -1.26 -4.34 113.62 111.21 3hae n SER 2 Ca 0.00 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 3hae n SER 2 Cb 0.00 -1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 3hae n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hae s HIS 3 N -2.31 0.15 0.07 1.43 3.76 -0.62 -4.93 115.29 112.84 3hae s HIS 3 Ca 0.57 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.83 3hae s HIS 3 Cb -0.16 0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.66 3hae s HIS 3 CO 0.67 -0.76 0.30 -1.54 -0.85 0.00 0.00 174.74 172.56 3hae s SER 4 N -2.91 -0.09 -0.06 1.40 1.04 -1.26 -0.72 113.70 111.09 3hae s SER 4 Ca 0.12 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3hae s SER 4 Cb 0.02 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.53 3hae s SER 4 CO -0.03 -0.68 -0.11 -0.32 0.98 0.00 0.00 173.24 173.07 3hae s MET 5 N -3.03 1.59 0.01 4.02 -2.45 -0.67 -0.35 119.30 118.42 3hae s MET 5 Ca -0.02 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 3hae s MET 5 Cb 0.01 -1.34 -0.01 0.00 1.25 0.00 0.00 34.83 34.74 3hae s MET 5 CO -0.06 0.01 -0.01 -0.98 1.05 0.00 0.00 175.02 175.02 3hae s ARG 6 N 0.72 0.13 -0.03 4.11 1.70 -0.51 -1.59 118.95 123.49 3hae s ARG 6 Ca -0.14 -0.22 0.04 0.00 -0.47 0.00 0.00 55.73 54.94 3hae s ARG 6 Cb -0.16 0.00 -0.03 0.00 -0.57 0.00 0.00 34.95 34.20 3hae s ARG 6 CO 0.03 -0.01 -0.14 0.71 -1.08 0.00 0.00 175.30 174.81 3hae s TYR 7 N -0.50 2.70 -0.08 5.89 2.02 -0.23 0.62 117.35 127.77 3hae s TYR 7 Ca -0.05 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3hae s TYR 7 Cb -0.03 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3hae s TYR 7 CO -0.00 0.23 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.96 3hae s PHE 8 N -0.81 2.00 0.02 2.71 0.40 0.79 -2.37 117.98 120.72 3hae s PHE 8 Ca 0.13 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.74 3hae s PHE 8 Cb -0.11 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3hae s PHE 8 CO 0.02 -0.34 -0.17 -0.06 0.70 0.00 0.00 175.22 175.37 3hae s PHE 9 N 0.48 1.53 -0.04 0.36 0.40 0.15 -1.07 117.98 119.79 3hae s PHE 9 Ca -0.16 -0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 3hae s PHE 9 Cb -0.17 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.46 3hae s PHE 9 CO 0.06 0.04 0.03 0.99 0.70 0.00 0.00 175.22 177.04 3hae s THR 10 N -0.69 0.05 -0.10 0.64 2.01 0.22 -1.45 115.64 116.33 3hae s THR 10 Ca 0.05 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3hae s THR 10 Cb -0.08 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 3hae s THR 10 CO 0.01 0.16 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.46 3hae s SER 11 N 1.51 3.46 -0.15 3.53 0.01 0.17 -1.72 113.70 120.51 3hae s SER 11 Ca -0.03 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3hae s SER 11 Cb -0.13 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.81 3hae s SER 11 CO -0.03 0.19 -0.14 -0.69 0.41 0.00 0.00 173.24 172.99 3hae s VAL 12 N 0.16 1.58 0.41 3.43 1.01 -0.92 -1.34 120.40 124.72 3hae s VAL 12 Ca -0.11 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 3hae s VAL 12 Cb -0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 3hae s VAL 12 CO 0.06 0.43 1.04 -0.94 0.00 0.00 0.00 175.10 175.69 3hae s SER 13 N 1.48 6.72 -0.40 3.32 1.04 -0.58 -1.41 113.70 123.86 3hae s SER 13 Ca 0.04 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.52 3hae s SER 13 Cb -0.13 -2.58 0.21 0.00 0.10 0.00 0.00 66.02 63.62 3hae s SER 13 CO -0.10 -0.52 0.44 -2.11 0.98 0.00 0.00 173.24 171.92 3hae n ARG 14 N -0.25 0.43 -1.79 4.02 1.85 -1.26 -4.17 116.66 115.49 3hae n ARG 14 Ca 0.06 -3.14 -0.41 0.00 -1.00 0.00 0.00 57.85 53.35 3hae n ARG 14 Cb 0.50 -1.46 -0.00 0.00 -1.05 0.00 0.00 32.46 30.45 3hae n ARG 14 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3hae s PRO 15 N -0.46 4.11 0.00 2.89 0.02 -1.26 -2.11 135.00 138.18 3hae s PRO 15 Ca 0.34 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3hae s PRO 15 Cb 0.10 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3hae s PRO 15 CO -0.16 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3hae n GLY 16 N 0.63 2.83 3.21 0.52 0.00 -1.26 -5.01 105.19 106.10 3hae n GLY 16 Ca 0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3hae n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae n ARG 17 N 0.00 -2.04 0.00 1.61 1.74 -0.90 -5.08 116.66 111.99 3hae n ARG 17 Ca 0.00 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 3hae n ARG 17 Cb 0.00 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3hae n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hae n GLY 18 N -3.24 -1.82 3.96 -0.13 0.00 -1.26 -4.89 105.19 97.81 3hae n GLY 18 Ca 0.14 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 2.63 0.52 1.61 8.01 -1.26 -4.78 118.70 125.43 3hae s GLU 19 Ca 0.00 -0.62 -0.22 0.00 0.01 0.00 0.00 54.97 54.14 3hae s GLU 19 Cb 0.00 -2.45 -0.06 0.00 -4.31 0.00 0.00 34.13 27.31 3hae s GLU 19 CO 0.00 -0.68 1.28 -2.30 0.01 0.00 0.00 175.26 173.56 3hae n PRO 20 N -2.37 1.64 -2.29 0.39 -0.02 -1.26 -4.67 135.00 126.42 3hae n PRO 20 Ca 0.06 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3hae n PRO 20 Cb 0.59 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.69 4.26 -0.19 -0.52 6.06 -0.50 -4.85 118.95 120.53 3hae s ARG 21 Ca 0.69 1.86 -0.02 0.00 -2.50 0.00 0.00 55.73 55.77 3hae s ARG 21 Cb -0.44 -3.70 -0.00 0.00 0.06 0.00 0.00 34.95 30.87 3hae s ARG 21 CO 0.51 -0.64 -0.10 0.12 -2.50 0.00 0.00 175.30 172.69 3hae s PHE 22 N 2.98 2.87 -0.08 5.12 5.36 -1.26 -2.17 117.98 130.80 3hae s PHE 22 Ca 0.61 -1.02 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 3hae s PHE 22 Cb -0.28 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 3hae s PHE 22 CO 0.23 -0.52 -0.21 0.42 -1.46 0.00 0.00 175.22 173.68 3hae s ILE 23 N 1.12 1.81 0.01 3.12 -1.09 -0.70 -0.43 121.20 125.04 3hae s ILE 23 Ca 0.01 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.58 3hae s ILE 23 Cb -0.14 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3hae s ILE 23 CO -0.03 0.50 -0.12 0.00 -1.23 0.00 0.00 174.94 174.07 3hae s ALA 24 N 0.32 1.00 0.01 9.38 0.00 0.20 -0.61 121.76 132.06 3hae s ALA 24 Ca -0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3hae s ALA 24 Cb -0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3hae s ALA 24 CO 0.07 0.22 0.00 0.14 0.00 0.00 0.00 175.76 176.19 3hae s VAL 25 N -0.45 0.06 0.03 0.00 -7.23 -0.23 -1.21 120.40 111.38 3hae s VAL 25 Ca 0.03 -0.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 3hae s VAL 25 Cb -0.05 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.67 3hae s VAL 25 CO 0.00 -0.29 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.51 3hae s GLY 26 N -0.86 1.60 0.14 2.32 0.00 -0.65 -0.15 107.32 109.72 3hae s GLY 26 Ca -0.09 -1.16 0.07 0.00 0.00 0.00 0.00 44.72 43.53 3hae s GLY 26 CO -0.00 -1.05 -0.16 -0.19 0.00 0.00 0.00 173.10 171.70 3hae s TYR 27 N -0.94 1.58 -0.14 1.90 1.51 0.20 -1.46 117.35 120.00 3hae s TYR 27 Ca 0.15 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3hae s TYR 27 Cb -0.11 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 3hae s TYR 27 CO 0.06 0.22 -0.16 0.08 -1.11 0.00 0.00 175.55 174.63 3hae s VAL 28 N -2.07 1.67 0.00 0.71 1.01 -0.33 -1.42 120.40 119.97 3hae s VAL 28 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3hae s VAL 28 Cb -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3hae s VAL 28 CO 0.04 0.48 0.00 0.47 0.00 0.00 0.00 175.10 176.09 3hae n ASP 29 N 4.47 0.00 -1.16 3.32 8.00 0.53 -0.53 116.55 131.19 3hae n ASP 29 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 3hae n ASP 29 Cb 0.51 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.90 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 3.12 4.37 -4.22 -2.24 8.00 -1.26 -4.90 116.55 119.43 3hae n ASP 30 Ca 0.00 -2.99 -0.34 0.00 0.71 0.00 0.00 54.79 52.17 3hae n ASP 30 Cb 0.00 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.37 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 -2.81 2.71 0.27 -3.53 2.01 0.32 -5.07 115.64 109.54 3hae s THR 31 Ca 0.45 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3hae s THR 31 Cb 0.36 -2.19 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 3hae s THR 31 CO 0.11 0.48 1.15 -1.58 -0.69 0.00 0.00 174.62 174.09 3hae s GLN 32 N 1.35 4.57 0.00 4.92 0.74 -1.26 -1.18 119.66 128.80 3hae s GLN 32 Ca 0.05 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.34 3hae s GLN 32 Cb -0.14 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.79 3hae s GLN 32 CO -0.08 0.10 0.00 1.97 -0.55 0.00 0.00 175.29 176.73 3hae n PHE 33 N 1.33 0.00 -4.04 1.67 -1.74 -0.54 -4.20 117.46 109.94 3hae n PHE 33 Ca -0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 3hae n PHE 33 Cb 0.44 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.33 3hae n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3hae s VAL 34 N -0.52 0.41 0.14 1.97 -7.23 -1.23 -0.62 120.40 113.32 3hae s VAL 34 Ca 0.00 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3hae s VAL 34 Cb 0.00 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 3hae s VAL 34 CO 0.00 -0.37 -0.03 0.00 -0.31 0.00 0.00 175.10 174.39 3hae s ARG 35 N -1.42 0.97 -0.24 4.82 1.70 -0.79 -1.64 118.95 122.35 3hae s ARG 35 Ca -0.10 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 53.57 3hae s ARG 35 Cb -0.09 -0.21 0.07 0.00 -0.57 0.00 0.00 34.95 34.14 3hae s ARG 35 CO 0.00 -0.08 0.60 0.12 -1.08 0.00 0.00 175.30 174.86 3hae s PHE 36 N -3.66 -0.88 -0.18 5.89 5.36 -0.35 -1.20 117.98 122.97 3hae s PHE 36 Ca 0.18 1.83 -0.01 0.00 -0.96 0.00 0.00 56.93 57.97 3hae s PHE 36 Cb 0.06 0.47 0.05 0.00 -0.34 0.00 0.00 43.02 43.26 3hae s PHE 36 CO -0.00 -0.44 -0.01 0.34 -1.46 0.00 0.00 175.22 173.64 3hae s ASP 37 N 1.34 2.90 0.53 6.13 -1.08 -1.26 -0.63 116.67 124.61 3hae s ASP 37 Ca -0.08 -0.75 0.31 0.00 -0.52 0.00 0.00 52.55 51.51 3hae s ASP 37 Cb -0.06 -0.78 1.46 0.00 -1.46 0.00 0.00 42.92 42.09 3hae s ASP 37 CO -0.14 -0.24 1.89 0.77 0.52 0.00 0.00 175.17 177.96 3hae h SER 38 N 8.16 0.02 0.86 -0.34 4.64 -1.13 -0.58 113.55 125.20 3hae h SER 38 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 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 0.36 0.01 -0.29 0.47 -0.87 0.00 0.00 176.83 176.51 3hae n ASP 39 N -4.28 0.41 -4.83 4.97 9.92 -1.26 -4.89 116.55 116.59 3hae n ASP 39 Ca 0.19 0.18 -0.31 0.00 -0.53 0.00 0.00 54.79 54.31 3hae n ASP 39 Cb 0.95 -0.15 0.04 0.00 -0.64 0.00 0.00 41.12 41.32 3hae n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hae s ALA 40 N -3.05 2.77 0.15 2.24 0.00 -0.23 -4.99 121.76 118.65 3hae s ALA 40 Ca 0.11 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 3hae s ALA 40 Cb 0.17 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 20.14 3hae s ALA 40 CO 0.63 -1.08 1.66 0.00 0.00 0.00 0.00 175.76 176.97 3hae h ALA 41 N -0.54 0.63 0.00 0.00 0.00 -1.90 -3.32 119.26 114.13 3hae h ALA 41 Ca -0.44 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 3hae h ALA 41 Cb 1.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hae h ALA 41 CO 0.58 0.31 -0.18 0.66 0.00 0.00 0.00 179.25 180.61 3hae h SER 42 N 0.65 0.00 -5.18 0.00 4.64 -1.94 -3.47 113.55 108.25 3hae h SER 42 Ca 0.15 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.08 3hae h SER 42 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3hae h SER 42 CO -0.00 0.18 -0.58 0.00 -0.87 0.00 0.00 176.83 175.56 3hae n GLN 43 N -3.30 -4.00 -4.19 4.77 1.13 -1.25 -4.97 117.38 105.57 3hae n GLN 43 Ca 0.01 0.62 -0.16 0.00 -1.94 0.00 0.00 57.00 55.53 3hae n GLN 43 Cb 0.43 -5.39 -0.11 0.00 0.11 0.00 0.00 30.24 25.28 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 -5.94 0.89 -0.01 -1.09 1.81 -1.26 -5.06 118.95 108.29 3hae s ARG 44 Ca 0.38 -1.16 -0.30 0.00 -1.72 0.00 0.00 55.73 52.93 3hae s ARG 44 Cb -0.19 -0.66 -0.05 0.00 -0.45 0.00 0.00 34.95 33.59 3hae s ARG 44 CO 0.47 0.12 1.42 1.41 -0.68 0.00 0.00 175.30 178.04 3hae s MET 45 N -2.64 4.27 -0.00 3.54 -2.45 -1.26 -4.67 119.30 116.08 3hae s MET 45 Ca 0.05 1.98 0.04 0.00 -1.25 0.00 0.00 55.69 56.52 3hae s MET 45 Cb -0.04 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.39 3hae s MET 45 CO 0.01 -0.61 -0.12 -1.21 1.05 0.00 0.00 175.02 174.14 3hae s GLU 46 N 2.59 2.40 0.61 4.11 2.02 -0.34 -4.89 118.70 125.19 3hae s GLU 46 Ca 0.64 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.67 3hae s GLU 46 Cb -0.31 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 3hae s GLU 46 CO 0.26 0.59 1.12 -1.25 0.02 0.00 0.00 175.26 176.01 3hae s PRO 47 N -1.23 3.05 0.00 0.39 0.04 -1.26 -1.88 135.00 134.10 3hae s PRO 47 Ca 0.15 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3hae s PRO 47 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3hae s PRO 47 CO 0.05 -1.07 0.38 0.54 0.04 0.00 0.00 177.00 176.94 3hae n ARG 48 N -1.90 0.00 -4.00 4.56 5.12 0.21 -4.81 116.66 115.85 3hae n ARG 48 Ca 0.11 -0.38 -0.11 0.00 -1.93 0.00 0.00 57.85 55.55 3hae n ARG 48 Cb 0.51 -0.37 -0.12 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.24 0.16 7.54 0.00 -1.23 -4.61 121.76 123.86 3hae s ALA 49 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 3hae s ALA 49 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.30 3hae s ALA 49 CO 0.00 -0.10 1.72 -1.35 0.00 0.00 0.00 175.76 176.03 3hae h PRO 50 N 4.80 0.15 0.00 0.00 0.11 -1.95 -2.68 132.00 132.43 3hae h PRO 50 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hae h PRO 50 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hae h PRO 50 CO 0.42 0.10 0.00 -2.67 -0.21 0.00 0.00 178.00 175.64 3hae n TRP 51 N -5.13 0.00 0.11 0.65 4.27 -1.26 -1.00 117.44 115.08 3hae n TRP 51 Ca 0.02 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.70 3hae n TRP 51 Cb 0.17 -0.44 0.01 0.00 -1.36 0.00 0.00 31.31 29.69 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 0.21 -0.01 -1.67 6.09 -1.82 -3.36 117.51 116.94 3hae h ILE 52 Ca 0.00 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.11 3hae h ILE 52 Cb 0.20 1.81 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 3hae h ILE 52 CO 0.00 0.12 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.80 3hae h GLU 53 N 0.00 0.02 -0.37 2.19 5.08 -1.15 -0.81 114.58 119.53 3hae h GLU 53 Ca -0.04 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3hae h GLU 53 Cb 1.18 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hae h GLU 53 CO 0.02 0.08 0.48 0.37 -1.00 0.00 0.00 179.01 178.96 3hae h GLN 54 N 0.02 0.00 -6.99 2.33 4.15 -1.71 -3.43 115.11 109.46 3hae h GLN 54 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 3hae h GLN 54 Cb 0.13 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.88 3hae h GLN 54 CO 0.01 0.00 0.48 -1.21 -1.93 0.00 0.00 178.83 176.17 3hae s GLU 55 N -4.51 3.82 0.85 1.69 0.41 -0.31 -5.00 118.70 115.64 3hae s GLU 55 Ca -0.04 1.74 -0.13 0.00 -0.41 0.00 0.00 54.97 56.14 3hae s GLU 55 Cb 0.14 -2.43 0.11 0.00 -1.78 0.00 0.00 34.13 30.17 3hae s GLU 55 CO 0.49 -0.49 1.22 0.20 -0.49 0.00 0.00 175.26 176.18 3hae s GLY 56 N -1.38 1.65 0.52 -1.39 0.00 -1.26 -4.86 107.32 100.60 3hae s GLY 56 Ca 0.63 -0.82 0.21 0.00 0.00 0.00 0.00 44.72 44.74 3hae s GLY 56 CO 0.34 -0.25 2.12 -0.56 0.00 0.00 0.00 173.10 174.74 3hae h PRO 57 N -1.21 0.00 -0.89 2.90 0.13 -1.97 -0.91 132.00 130.05 3hae h PRO 57 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3hae h PRO 57 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 3hae h PRO 57 CO 0.58 0.08 0.49 0.93 -0.23 0.00 0.00 178.00 179.85 3hae h GLU 58 N 0.00 1.25 0.22 0.86 3.07 -1.99 -0.05 114.58 117.94 3hae h GLU 58 Ca -0.00 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 3hae h GLU 58 Cb 0.16 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3hae h GLU 58 CO 0.01 0.91 -0.11 -0.92 -1.40 0.00 0.00 179.01 177.50 3hae h TYR 59 N 1.25 -0.28 -0.17 4.33 3.20 -1.51 0.91 116.97 124.70 3hae h TYR 59 Ca 0.31 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.19 3hae h TYR 59 Cb 0.03 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3hae h TYR 59 CO 0.01 -0.15 0.07 -1.49 -1.64 0.00 0.00 178.16 174.96 3hae h TRP 60 N -0.33 0.13 -0.36 -3.82 4.06 -1.43 0.40 115.95 114.61 3hae h TRP 60 Ca -0.03 0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.99 3hae h TRP 60 Cb 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 3hae h TRP 60 CO -0.05 0.07 0.03 -0.44 -3.56 0.00 0.00 178.44 174.49 3hae h ASP 61 N 0.16 -0.08 0.08 -3.49 3.32 -0.96 0.42 116.42 115.87 3hae h ASP 61 Ca 0.07 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hae h ASP 61 Cb 0.03 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3hae h ASP 61 CO -0.06 -0.00 -0.04 1.23 -1.72 0.00 0.00 179.24 178.65 3hae h GLY 62 N 0.14 -0.12 1.14 2.75 0.00 0.02 -1.68 103.07 105.31 3hae h GLY 62 Ca 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 3hae h GLY 62 CO -0.26 -0.04 0.16 0.83 0.00 0.00 0.00 176.54 177.22 3hae h GLU 63 N -0.33 1.07 -0.91 4.80 4.39 -0.11 -0.51 114.58 122.98 3hae h GLU 63 Ca -0.01 -0.25 0.11 0.00 0.34 0.00 0.00 59.36 59.54 3hae h GLU 63 Cb 0.28 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.71 3hae h GLU 63 CO 0.02 0.95 0.55 1.15 -1.16 0.00 0.00 179.01 180.52 3hae h THR 64 N 1.02 0.92 -0.12 1.13 2.02 -0.74 0.18 112.91 117.30 3hae h THR 64 Ca 0.21 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3hae h THR 64 Cb 0.36 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3hae h THR 64 CO 0.00 0.16 -0.09 0.03 0.37 0.00 0.00 175.52 175.99 3hae h ARG 65 N 0.90 0.28 -0.49 6.66 3.08 -0.28 -1.81 114.38 122.72 3hae h ARG 65 Ca 0.44 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 3hae h ARG 65 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3hae h ARG 65 CO -0.25 0.65 0.04 0.87 -1.07 0.00 0.00 179.97 180.21 3hae h LYS 66 N -0.09 0.84 -0.53 0.04 1.57 -0.67 -1.80 116.57 115.93 3hae h LYS 66 Ca 0.02 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3hae h LYS 66 Cb 0.59 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3hae h LYS 66 CO 0.02 0.86 0.16 -0.24 -0.57 0.00 0.00 179.45 179.69 3hae h VAL 67 N 0.71 1.21 -0.72 0.50 3.04 -0.64 -0.73 116.25 119.61 3hae h VAL 67 Ca 0.14 -0.73 -0.03 0.00 -1.01 0.00 0.00 66.70 65.07 3hae h VAL 67 Cb 0.46 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 3hae h VAL 67 CO 0.02 0.28 0.34 0.11 -1.01 0.00 0.00 177.57 177.30 3hae h LYS 68 N 0.77 1.03 -0.55 4.17 1.57 -1.01 -0.86 116.57 121.69 3hae h LYS 68 Ca 0.18 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3hae h LYS 68 Cb 0.24 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3hae h LYS 68 CO -0.01 0.80 0.13 0.00 -0.57 0.00 0.00 179.45 179.80 3hae h ALA 69 N 1.35 0.73 -0.22 3.86 0.00 -0.48 -0.73 119.26 123.77 3hae h ALA 69 Ca 0.25 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hae h ALA 69 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3hae h ALA 69 CO -0.03 0.43 -0.08 0.45 0.00 0.00 0.00 179.25 180.02 3hae h HIS 70 N 0.78 -0.19 -0.30 0.00 3.86 -0.72 -0.49 115.15 118.09 3hae h HIS 70 Ca 0.17 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.47 3hae h HIS 70 Cb 0.35 0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.86 3hae h HIS 70 CO 0.02 -0.13 -0.21 1.03 0.86 0.00 0.00 177.93 179.50 3hae h SER 71 N -0.04 -0.68 1.41 2.45 0.87 -0.62 -1.32 113.55 115.62 3hae h SER 71 Ca 0.11 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 3hae h SER 71 Cb 0.21 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3hae h SER 71 CO -0.25 -0.24 -0.27 -0.61 -0.53 0.00 0.00 176.83 174.93 3hae h GLN 72 N -0.18 0.00 0.04 2.24 5.75 -0.95 -1.36 115.11 120.66 3hae h GLN 72 Ca 0.16 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3hae h GLN 72 Cb 0.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3hae h GLN 72 CO -0.41 0.27 -0.02 1.15 -2.65 0.00 0.00 178.83 177.17 3hae h THR 73 N 0.00 1.10 -0.81 2.39 2.02 -0.55 -2.71 112.91 114.35 3hae h THR 73 Ca -0.00 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.84 3hae h THR 73 Cb 1.05 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 3hae h THR 73 CO 0.03 0.12 0.53 0.45 0.37 0.00 0.00 175.52 177.02 3hae h HIS 74 N -0.26 0.74 -0.84 3.16 3.86 -1.00 0.15 115.15 120.97 3hae h HIS 74 Ca -0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3hae h HIS 74 Cb 0.24 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3hae h HIS 74 CO -0.01 0.32 0.46 -0.09 0.86 0.00 0.00 177.93 179.47 3hae h ARG 75 N 0.67 1.16 -0.20 2.45 1.12 -1.04 -0.04 114.38 118.50 3hae h ARG 75 Ca 0.39 -0.13 -0.20 0.00 -1.11 0.00 0.00 59.98 58.92 3hae h ARG 75 Cb 0.58 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 3hae h ARG 75 CO -0.15 0.85 -0.67 0.28 -3.11 0.00 0.00 179.97 177.17 3hae h VAL 76 N 1.17 1.29 -0.28 0.20 2.07 -0.93 -3.22 116.25 116.55 3hae h VAL 76 Ca 0.30 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.98 3hae h VAL 76 Cb 0.03 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3hae h VAL 76 CO -0.05 0.60 0.00 0.44 0.02 0.00 0.00 177.57 178.59 3hae h ASP 77 N 0.56 -0.10 -0.73 0.57 3.32 -0.22 0.28 116.42 120.09 3hae h ASP 77 Ca -0.02 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.23 3hae h ASP 77 Cb 1.28 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.85 3hae h ASP 77 CO 0.14 -0.02 0.28 -0.07 -1.72 0.00 0.00 179.24 177.85 3hae h LEU 78 N 0.09 0.25 -0.05 1.55 3.38 -1.03 0.18 115.31 119.69 3hae h LEU 78 Ca 0.13 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hae h LEU 78 Cb 0.18 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hae h LEU 78 CO -0.22 0.10 0.02 1.23 0.09 0.00 0.00 178.44 179.66 3hae h GLY 79 N 0.43 0.08 0.52 0.83 0.00 -1.38 -1.52 103.07 102.02 3hae h GLY 79 Ca 0.39 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3hae h GLY 79 CO -0.39 0.04 0.56 -0.84 0.00 0.00 0.00 176.54 175.91 3hae h THR 80 N -0.05 0.93 -0.04 4.70 2.02 0.52 -1.90 112.91 119.09 3hae h THR 80 Ca 0.02 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3hae h THR 80 Cb 0.14 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3hae h THR 80 CO -0.00 0.17 -0.08 -0.07 0.37 0.00 0.00 175.52 175.91 3hae h LEU 81 N 0.92 0.14 -0.95 2.58 3.38 -0.56 -1.32 115.31 119.50 3hae h LEU 81 Ca 0.45 -0.56 0.28 0.00 0.09 0.00 0.00 57.88 58.14 3hae h LEU 81 Cb 0.40 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.97 3hae h LEU 81 CO -0.25 0.68 0.44 -0.09 0.09 0.00 0.00 178.44 179.30 3hae h ARG 82 N -0.39 0.29 0.66 1.13 2.43 -0.92 -0.60 114.38 116.98 3hae h ARG 82 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3hae h ARG 82 Cb 0.65 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3hae h ARG 82 CO 0.02 0.19 -0.32 0.78 -1.51 0.00 0.00 179.97 179.13 3hae h GLY 83 N 0.30 -0.93 0.56 2.80 0.00 -1.07 -0.77 103.07 103.95 3hae h GLY 83 Ca 0.65 0.35 0.19 0.00 0.00 0.00 0.00 47.33 48.52 3hae h GLY 83 CO -0.62 -0.34 0.54 -0.97 0.00 0.00 0.00 176.54 175.15 3hae h TYR 84 N -1.03 0.00 -0.56 5.60 0.05 -0.21 -0.43 116.97 120.39 3hae h TYR 84 Ca -0.09 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.57 3hae h TYR 84 Cb 0.68 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 3hae h TYR 84 CO 0.04 0.00 0.12 0.66 -1.05 0.00 0.00 178.16 177.93 3hae n TYR 85 N -4.07 1.90 -3.57 4.88 4.01 -0.33 -4.94 117.16 115.04 3hae n TYR 85 Ca 0.13 -1.07 -0.07 0.00 -0.16 0.00 0.00 57.90 56.73 3hae n TYR 85 Cb 0.79 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.18 -0.72 -4.80 7.72 6.94 -0.17 -4.94 115.26 119.11 3hae n ASN 86 Ca 0.33 -0.21 -0.28 0.00 -0.02 0.00 0.00 54.58 54.40 3hae n ASN 86 Cb 1.20 -0.27 -0.06 0.00 -2.36 0.00 0.00 39.78 38.30 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 -4.82 2.92 0.60 -3.83 -0.21 -0.31 -5.05 119.66 108.96 3hae s GLN 87 Ca 0.07 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.53 3hae s GLN 87 Cb -0.04 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 3hae s GLN 87 CO 0.16 0.52 1.04 -1.54 -2.12 0.00 0.00 175.29 173.35 3hae s SER 88 N -2.78 5.97 0.00 5.90 1.04 -1.26 -4.73 113.70 117.83 3hae s SER 88 Ca 0.30 1.66 0.19 0.00 0.48 0.00 0.00 55.95 58.57 3hae s SER 88 Cb -0.11 -2.51 1.11 0.00 0.10 0.00 0.00 66.02 64.61 3hae s SER 88 CO 0.23 -1.04 1.51 -1.84 0.98 0.00 0.00 173.24 173.08 3hae n GLU 89 N -2.25 0.60 -0.03 4.02 0.28 -1.26 -3.49 120.64 118.51 3hae n GLU 89 Ca 0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 3hae n GLU 89 Cb 0.53 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.83 3hae n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hae h ALA 90 N 3.17 0.13 -2.36 -1.84 0.00 -1.99 -3.44 119.26 112.92 3hae h ALA 90 Ca 0.00 -0.45 -0.51 0.00 0.00 0.00 0.00 54.91 53.95 3hae h ALA 90 Cb 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.89 3hae h ALA 90 CO 0.00 0.20 0.35 0.20 0.00 0.00 0.00 179.25 180.00 3hae s GLY 91 N -3.80 1.87 0.00 0.00 0.00 -1.23 -4.74 107.32 99.43 3hae s GLY 91 Ca -0.14 0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 3hae s GLY 91 CO 0.78 0.65 0.47 -0.45 0.00 0.00 0.00 173.10 174.55 3hae s SER 92 N -3.17 6.87 0.04 1.64 0.15 -1.26 -4.69 113.70 113.28 3hae s SER 92 Ca 0.62 1.03 -0.01 0.00 0.70 0.00 0.00 55.95 58.30 3hae s SER 92 Cb -0.17 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 3hae s SER 92 CO 0.49 0.25 -0.02 -1.00 1.20 0.00 0.00 173.24 174.15 3hae s HIS 93 N -0.76 0.42 -0.08 3.44 3.76 -1.26 -4.94 115.29 115.87 3hae s HIS 93 Ca 0.26 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 3hae s HIS 93 Cb -0.17 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.21 3hae s HIS 93 CO 0.15 -0.32 -0.19 0.99 -0.85 0.00 0.00 174.74 174.52 3hae s THR 94 N -3.04 1.61 -0.05 1.30 2.01 -1.26 -1.53 115.64 114.68 3hae s THR 94 Ca -0.01 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3hae s THR 94 Cb 0.02 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3hae s THR 94 CO -0.07 0.46 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 3hae s VAL 95 N 0.40 3.95 -0.01 3.82 1.01 -0.45 -0.12 120.40 129.00 3hae s VAL 95 Ca -0.14 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hae s VAL 95 Cb -0.16 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3hae s VAL 95 CO 0.06 0.54 -0.07 -1.10 0.00 0.00 0.00 175.10 174.53 3hae s GLN 96 N -1.03 0.61 -0.01 2.72 -0.21 -0.64 -0.66 119.66 120.45 3hae s GLN 96 Ca 0.14 -0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.31 3hae s GLN 96 Cb -0.11 -0.59 -0.00 0.00 1.00 0.00 0.00 33.01 33.30 3hae s GLN 96 CO 0.04 0.14 -0.10 0.50 -2.12 0.00 0.00 175.29 173.74 3hae s ARG 97 N -0.08 0.93 -0.07 2.91 3.52 -0.53 -0.65 118.95 124.98 3hae s ARG 97 Ca 0.01 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 3hae s ARG 97 Cb -0.04 -0.88 0.04 0.00 -1.56 0.00 0.00 34.95 32.51 3hae s ARG 97 CO -0.00 0.19 0.16 1.41 -0.81 0.00 0.00 175.30 176.25 3hae s MET 98 N -0.10 0.10 0.18 5.12 1.75 -0.70 -0.68 119.30 124.98 3hae s MET 98 Ca 0.02 0.39 -0.07 0.00 -1.25 0.00 0.00 55.69 54.77 3hae s MET 98 Cb -0.06 -0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.42 3hae s MET 98 CO -0.00 -0.17 0.25 1.52 -0.65 0.00 0.00 175.02 175.98 3hae s TYR 99 N 1.18 0.59 -4.81 4.11 -0.85 -1.00 -0.96 117.35 115.61 3hae s TYR 99 Ca -0.09 -0.93 0.00 0.00 -0.52 0.00 0.00 57.07 55.52 3hae s TYR 99 Cb -0.11 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.06 3hae s TYR 99 CO -0.06 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 3hae n GLY 100 N -0.23 -0.89 3.23 5.49 0.00 -0.98 -1.07 105.19 110.74 3hae n GLY 100 Ca -0.05 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.92 4.99 0.15 0.00 1.01 0.15 -1.68 116.67 120.37 3hae s ASP 102 Ca -0.10 -0.15 0.07 0.00 0.71 0.00 0.00 52.55 53.08 3hae s ASP 102 Cb -0.05 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 3hae s ASP 102 CO 0.03 0.20 -0.16 0.68 0.21 0.00 0.00 175.17 176.13 3hae s VAL 103 N -1.24 1.62 0.61 -1.27 -7.23 0.10 -1.02 120.40 111.97 3hae s VAL 103 Ca 0.24 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 3hae s VAL 103 Cb -0.12 -1.74 0.15 0.00 0.56 0.00 0.00 36.38 35.23 3hae s VAL 103 CO 0.16 -0.38 0.71 0.61 -0.31 0.00 0.00 175.10 175.89 3hae n GLY 104 N 0.33 -1.84 0.25 2.32 0.00 -0.81 -1.58 105.19 103.85 3hae n GLY 104 Ca -0.14 -1.61 0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.38 0.00 -0.44 1.61 4.64 -1.92 0.13 113.55 116.20 3hae h SER 105 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hae h SER 105 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hae h SER 105 CO 0.17 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.23 3hae n ASP 106 N -2.75 2.59 -0.04 4.97 5.68 -1.26 -4.82 116.55 120.92 3hae n ASP 106 Ca -0.01 -1.96 -0.01 0.00 -0.50 0.00 0.00 54.79 52.31 3hae n ASP 106 Cb 0.13 -0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 39.82 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 0.92 0.00 -2.49 2.11 7.02 0.46 -5.00 117.44 120.46 3hae n TRP 107 Ca 0.17 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.26 3hae n TRP 107 Cb 0.42 -0.75 -0.04 0.00 -2.42 0.00 0.00 31.31 28.53 3hae n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3hae s ARG 108 N -0.84 4.48 0.33 -0.99 3.00 -1.26 -4.79 118.95 118.89 3hae s ARG 108 Ca 0.00 1.72 -0.27 0.00 -1.00 0.00 0.00 55.73 56.18 3hae s ARG 108 Cb 0.00 -2.98 -0.13 0.00 0.00 0.00 0.00 34.95 31.84 3hae s ARG 108 CO 0.00 0.09 1.00 0.34 0.00 0.00 0.00 175.30 176.73 3hae n PHE 109 N 0.78 1.21 0.01 5.12 7.35 -1.26 -1.93 117.46 128.73 3hae n PHE 109 Ca 0.01 0.65 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3hae n PHE 109 Cb 0.46 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.05 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 1.02 0.05 -3.63 -2.13 7.94 -0.19 -4.76 117.00 115.31 3hae n LEU 110 Ca 0.09 0.02 -0.15 0.00 -1.11 0.00 0.00 56.01 54.86 3hae n LEU 110 Cb 0.34 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 3hae n LEU 110 CO 0.59 -0.18 0.32 -0.60 -1.11 0.00 0.00 177.39 176.41 3hae s ARG 111 N -2.00 0.82 0.21 1.96 3.52 -1.13 -4.98 118.95 117.35 3hae s ARG 111 Ca 0.00 0.59 0.11 0.00 -0.13 0.00 0.00 55.73 56.30 3hae s ARG 111 Cb 0.00 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.74 3hae s ARG 111 CO 0.00 -0.17 -0.23 0.20 -0.81 0.00 0.00 175.30 174.30 3hae s GLY 112 N -0.27 1.74 0.01 8.12 0.00 -1.26 -0.67 107.32 114.98 3hae s GLY 112 Ca -0.05 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3hae s GLY 112 CO 0.04 -1.74 -0.03 -0.19 0.00 0.00 0.00 173.10 171.18 3hae s TYR 113 N -1.91 0.22 -0.29 1.90 1.51 -0.45 -4.88 117.35 113.44 3hae s TYR 113 Ca 0.23 -0.23 -0.13 0.00 -1.01 0.00 0.00 57.07 55.93 3hae s TYR 113 Cb -0.07 -0.15 0.11 0.00 -0.11 0.00 0.00 41.96 41.75 3hae s TYR 113 CO 0.11 -0.07 0.70 -1.58 -1.11 0.00 0.00 175.55 173.60 3hae s HIS 114 N -0.61 -1.16 0.09 2.71 2.46 -1.26 -2.32 115.29 115.20 3hae s HIS 114 Ca -0.06 2.13 -0.10 0.00 0.47 0.00 0.00 55.06 57.51 3hae s HIS 114 Cb -0.04 0.70 0.00 0.00 -0.13 0.00 0.00 32.58 33.11 3hae s HIS 114 CO -0.00 -0.58 0.23 1.14 -2.47 0.00 0.00 174.74 173.06 3hae s GLN 115 N 2.30 0.86 -0.05 2.88 -2.07 -0.13 -0.94 119.66 122.52 3hae s GLN 115 Ca -0.08 -0.88 -0.00 0.00 -1.82 0.00 0.00 55.36 52.59 3hae s GLN 115 Cb -0.08 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.22 3hae s GLN 115 CO -0.19 -0.28 -0.00 -0.47 -1.32 0.00 0.00 175.29 173.02 3hae s TYR 116 N -3.70 0.50 0.05 9.60 6.14 0.51 -1.71 117.35 128.73 3hae s TYR 116 Ca 0.03 -0.08 0.07 0.00 0.64 0.00 0.00 57.07 57.73 3hae s TYR 116 Cb 0.04 -0.59 -0.03 0.00 0.42 0.00 0.00 41.96 41.79 3hae s TYR 116 CO -0.10 -0.21 -0.15 0.00 0.64 0.00 0.00 175.55 175.72 3hae s ALA 117 N 1.39 2.71 -0.07 3.97 0.00 0.17 -0.37 121.76 129.55 3hae s ALA 117 Ca -0.04 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.78 3hae s ALA 117 Cb -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 3hae s ALA 117 CO -0.02 0.59 -0.21 -0.47 0.00 0.00 0.00 175.76 175.64 3hae s TYR 118 N -0.98 2.55 -1.57 0.00 5.04 -0.61 -1.61 117.35 120.17 3hae s TYR 118 Ca 0.16 -0.66 -0.17 0.00 -2.44 0.00 0.00 57.07 53.96 3hae s TYR 118 Cb -0.11 -1.65 0.14 0.00 0.35 0.00 0.00 41.96 40.69 3hae s TYR 118 CO 0.07 -0.18 0.68 -0.25 -1.34 0.00 0.00 175.55 174.53 3hae n ASP 119 N 3.00 -3.20 -0.19 4.32 8.00 0.82 -1.17 116.55 128.14 3hae n ASP 119 Ca -0.18 -0.84 -0.03 0.00 0.71 0.00 0.00 54.79 54.46 3hae n ASP 119 Cb 0.52 -2.64 -0.01 0.00 -0.02 0.00 0.00 41.12 38.97 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 -1.27 0.54 3.57 0.44 0.00 -1.26 -4.99 105.19 102.22 3hae n GLY 120 Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.36 1.96 0.71 1.61 3.01 -0.32 -5.12 119.74 120.22 3hae s LYS 121 Ca 0.00 -1.74 -0.16 0.00 -1.01 0.00 0.00 55.97 53.05 3hae s LYS 121 Cb 0.00 -1.88 0.01 0.00 -1.01 0.00 0.00 37.83 34.95 3hae s LYS 121 CO 0.00 0.22 1.08 -0.25 0.51 0.00 0.00 175.35 176.91 3hae n ASP 122 N -0.83 0.98 0.08 2.83 8.00 -1.26 -1.58 116.55 124.77 3hae n ASP 122 Ca -0.05 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.16 3hae n ASP 122 Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 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 -2.42 -0.98 -3.75 1.24 9.36 0.50 -4.49 117.16 116.62 3hae n TYR 123 Ca 0.14 0.17 -0.13 0.00 3.32 0.00 0.00 57.90 61.41 3hae n TYR 123 Cb 0.49 0.24 -0.13 0.00 -0.63 0.00 0.00 39.34 39.31 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 -0.03 0.01 2.97 -1.16 -0.95 -0.79 121.20 119.25 3hae s ILE 124 Ca 0.00 0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.25 3hae s ILE 124 Cb 0.00 -0.35 -0.01 0.00 0.61 0.00 0.00 42.46 42.71 3hae s ILE 124 CO 0.00 0.04 -0.03 0.00 -2.81 0.00 0.00 174.94 172.15 3hae s ALA 125 N 0.89 0.16 -0.06 1.50 0.00 -0.61 -0.37 121.76 123.27 3hae s ALA 125 Ca -0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 3hae s ALA 125 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3hae s ALA 125 CO -0.06 -0.04 1.38 -1.17 0.00 0.00 0.00 175.76 175.87 3hae s LEU 126 N -0.68 4.28 0.96 0.00 2.96 -0.11 -0.60 118.68 125.48 3hae s LEU 126 Ca -0.06 1.98 -0.12 0.00 -0.22 0.00 0.00 54.13 55.70 3hae s LEU 126 Cb -0.05 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.17 3hae s LEU 126 CO -0.00 -0.74 0.58 0.29 -1.32 0.00 0.00 176.35 175.15 3hae n LYS 127 N 5.96 -0.48 -0.17 1.98 5.02 -0.05 -4.55 118.16 125.87 3hae n LYS 127 Ca 0.14 -0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.44 3hae n LYS 127 Cb 0.44 -1.98 0.43 0.00 -0.02 0.00 0.00 35.03 33.90 3hae n LYS 127 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hae h GLU 128 N -1.71 0.56 0.00 1.97 5.08 -1.89 -1.75 114.58 116.83 3hae h GLU 128 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3hae h GLU 128 Cb 1.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hae h GLU 128 CO 0.36 0.37 0.00 -0.40 -1.00 0.00 0.00 179.01 178.35 3hae n ASP 129 N -4.49 0.00 -3.90 1.42 5.75 -1.26 -4.72 116.55 109.34 3hae n ASP 129 Ca 0.13 -0.30 -0.31 0.00 -0.01 0.00 0.00 54.79 54.29 3hae n ASP 129 Cb 0.38 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 3hae n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hae n LEU 130 N -1.14 -1.61 0.00 -2.12 4.77 -0.66 -4.79 117.00 111.46 3hae n LEU 130 Ca 0.12 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3hae n LEU 130 Cb 0.11 -2.07 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 3hae n LEU 130 CO 0.12 0.24 -0.24 0.54 -1.33 0.00 0.00 177.39 176.73 3hae n ARG 131 N -4.12 2.39 -4.29 3.23 1.74 -1.26 -4.68 116.66 109.67 3hae n ARG 131 Ca 0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 3hae n ARG 131 Cb 0.50 -0.74 -0.10 0.00 -1.02 0.00 0.00 32.46 31.11 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 -1.57 1.00 0.18 0.55 1.04 -1.26 -4.94 113.70 108.71 3hae s SER 132 Ca 0.00 -1.46 0.10 0.00 0.48 0.00 0.00 55.95 55.07 3hae s SER 132 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3hae s SER 132 CO 0.00 -0.83 -0.15 0.26 0.98 0.00 0.00 173.24 173.50 3hae s TRP 133 N -3.82 2.50 -0.28 5.02 0.52 -1.26 -0.87 118.94 120.76 3hae s TRP 133 Ca 0.38 -0.27 -0.04 0.00 0.02 0.00 0.00 56.10 56.18 3hae s TRP 133 Cb 0.06 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 31.17 3hae s TRP 133 CO 0.15 0.50 0.01 0.99 0.02 0.00 0.00 176.95 178.62 3hae s THR 134 N -1.66 3.36 -0.24 2.01 2.01 0.23 -4.83 115.64 116.51 3hae s THR 134 Ca 0.23 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 3hae s THR 134 Cb -0.09 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3hae s THR 134 CO 0.13 0.09 0.42 0.00 -0.69 0.00 0.00 174.62 174.57 3hae s ALA 135 N 1.39 3.57 0.48 7.40 0.00 -1.26 -1.57 121.76 131.77 3hae s ALA 135 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 51.96 51.45 3hae s ALA 135 Cb -0.17 -2.73 1.15 0.00 0.00 0.00 0.00 23.12 21.37 3hae s ALA 135 CO -0.01 -0.55 2.09 0.00 0.00 0.00 0.00 175.76 177.30 3hae h ALA 136 N 7.83 1.97 -2.26 0.00 0.00 -1.26 -3.47 119.26 122.08 3hae h ALA 136 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hae h ALA 136 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hae h ALA 136 CO 0.69 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 3hae n ASP 137 N -4.50 0.00 -0.06 0.00 3.85 -1.26 -5.04 116.55 109.53 3hae n ASP 137 Ca 0.01 -0.79 -0.11 0.00 -0.71 0.00 0.00 54.79 53.18 3hae n ASP 137 Cb 0.16 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.88 3hae n ASP 137 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 3hae h MET 138 N 0.00 0.34 -0.77 0.11 2.86 -1.99 -3.05 114.93 112.42 3hae h MET 138 Ca 0.00 -0.10 0.10 0.00 -2.06 0.00 0.00 59.70 57.63 3hae h MET 138 Cb 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.55 3hae h MET 138 CO 0.00 0.53 0.41 0.00 1.06 0.00 0.00 176.91 178.92 3hae h ALA 139 N 0.80 1.09 -0.09 6.32 0.00 -1.97 0.14 119.26 125.55 3hae h ALA 139 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hae h ALA 139 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hae h ALA 139 CO 0.01 0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.36 3hae h ALA 140 N 1.45 1.71 -0.61 0.00 0.00 -1.84 -2.39 119.26 117.58 3hae h ALA 140 Ca 0.38 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3hae h ALA 140 Cb 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hae h ALA 140 CO -0.27 -0.14 0.40 0.37 0.00 0.00 0.00 179.25 179.62 3hae h GLN 141 N 0.00 0.76 0.13 0.00 5.75 -0.62 0.12 115.11 121.24 3hae h GLN 141 Ca 0.04 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3hae h GLN 141 Cb 0.23 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3hae h GLN 141 CO -0.00 0.50 -0.25 1.15 -2.65 0.00 0.00 178.83 177.59 3hae h THR 142 N 0.78 0.46 -0.12 2.39 2.02 -1.52 0.54 112.91 117.46 3hae h THR 142 Ca 0.23 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3hae h THR 142 Cb -0.02 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3hae h THR 142 CO -0.06 0.00 0.07 0.74 0.37 0.00 0.00 175.52 176.65 3hae h THR 143 N -0.45 1.05 -0.52 3.16 2.02 -1.39 -1.26 112.91 115.52 3hae h THR 143 Ca 0.03 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.18 3hae h THR 143 Cb 0.47 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 3hae h THR 143 CO -0.13 0.05 -0.19 0.50 0.37 0.00 0.00 175.52 176.12 3hae h LYS 144 N 0.13 -0.06 -0.47 6.66 3.64 -0.58 0.10 116.57 125.99 3hae h LYS 144 Ca 0.04 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3hae h LYS 144 Cb 0.02 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3hae h LYS 144 CO -0.01 -0.04 0.21 1.25 -2.27 0.00 0.00 179.45 178.59 3hae h HIS 145 N -0.07 0.38 0.69 1.91 2.76 -0.67 -0.76 115.15 119.39 3hae h HIS 145 Ca 0.25 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3hae h HIS 145 Cb 0.45 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3hae h HIS 145 CO -0.49 0.17 -0.36 -0.22 -1.30 0.00 0.00 177.93 175.73 3hae h LYS 146 N 0.42 -0.93 0.00 5.26 3.64 0.19 -2.41 116.57 122.74 3hae h LYS 146 Ca 0.21 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3hae h LYS 146 Cb 0.16 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hae h LYS 146 CO -0.18 -0.62 0.00 -1.49 -2.27 0.00 0.00 179.45 174.90 3hae h TRP 147 N -0.96 0.00 0.05 1.91 4.06 -0.80 -0.62 115.95 119.59 3hae h TRP 147 Ca -0.09 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 3hae h TRP 147 Cb 0.75 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.92 3hae h TRP 147 CO 0.03 0.00 -0.40 1.49 -3.56 0.00 0.00 178.44 176.00 3hae h GLU 148 N 0.00 0.18 -0.77 0.49 4.81 -0.88 -1.76 114.58 116.65 3hae h GLU 148 Ca 0.00 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3hae h GLU 148 Cb 0.01 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3hae h GLU 148 CO 0.00 1.07 0.51 0.00 -0.73 0.00 0.00 179.01 179.87 3hae h ALA 149 N 0.12 0.98 0.00 2.92 0.00 -0.87 -1.42 119.26 120.99 3hae h ALA 149 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hae h ALA 149 Cb 1.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hae h ALA 149 CO 0.08 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3hae n ALA 150 N -2.31 2.55 -1.96 0.00 0.00 -0.31 -4.89 120.51 113.58 3hae n ALA 150 Ca 0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3hae n ALA 150 Cb 0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 3hae n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hae n HIS 151 N -0.67 -0.46 0.13 0.00 -0.00 -0.54 -4.87 115.22 108.83 3hae n HIS 151 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.84 3hae n HIS 151 Cb 0.04 -3.47 0.46 0.00 -0.00 0.00 0.00 29.99 27.02 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 1.12 0.16 1.59 2.07 -1.57 -2.90 116.25 116.73 3hae h VAL 152 Ca -0.42 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3hae h VAL 152 Cb 1.29 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3hae h VAL 152 CO 0.55 0.16 -0.30 0.00 0.02 0.00 0.00 177.57 178.00 3hae h ALA 153 N 1.75 -0.54 -0.87 1.67 0.00 -1.90 -1.89 119.26 117.48 3hae h ALA 153 Ca 0.05 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.10 3hae h ALA 153 Cb 0.21 0.48 -0.16 0.00 0.00 0.00 0.00 17.79 18.32 3hae h ALA 153 CO 0.01 -0.85 -0.08 0.93 0.00 0.00 0.00 179.25 179.25 3hae h GLU 154 N -0.55 0.04 0.95 0.00 3.07 -1.79 0.57 114.58 116.87 3hae h GLU 154 Ca 0.02 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3hae h GLU 154 Cb 0.56 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3hae h GLU 154 CO -0.15 0.02 -0.46 0.37 -1.40 0.00 0.00 179.01 177.40 3hae h GLN 155 N 0.04 -1.23 -0.66 2.33 4.15 -1.45 -1.84 115.11 116.45 3hae h GLN 155 Ca 0.46 0.08 0.14 0.00 0.77 0.00 0.00 58.65 60.11 3hae h GLN 155 Cb 0.82 0.28 -0.10 0.00 0.21 0.00 0.00 27.48 28.69 3hae h GLN 155 CO -0.83 -0.82 0.08 1.25 -1.93 0.00 0.00 178.83 176.58 3hae h LEU 156 N -1.29 -0.14 -0.26 -2.39 5.85 -0.55 -2.25 115.31 114.27 3hae h LEU 156 Ca -0.13 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3hae h LEU 156 Cb 0.98 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3hae h LEU 156 CO 0.21 -0.07 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.06 3hae h ARG 157 N 0.19 -0.03 -0.74 1.25 2.43 0.24 0.20 114.38 117.92 3hae h ARG 157 Ca 0.36 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 3hae h ARG 157 Cb 0.59 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3hae h ARG 157 CO -0.51 -0.02 0.49 0.00 -1.51 0.00 0.00 179.97 178.42 3hae h ALA 158 N 1.22 1.47 0.70 2.80 0.00 -0.77 0.30 119.26 124.99 3hae h ALA 158 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hae h ALA 158 Cb 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hae h ALA 158 CO -0.29 0.49 -0.34 -0.92 0.00 0.00 0.00 179.25 178.19 3hae h TYR 159 N 1.00 -0.88 -0.54 0.00 3.20 -0.72 -1.95 116.97 117.08 3hae h TYR 159 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hae h TYR 159 Cb -0.11 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hae h TYR 159 CO 0.00 -0.52 0.34 -0.07 -1.64 0.00 0.00 178.16 176.27 3hae h LEU 160 N -1.13 0.64 -0.40 2.82 3.38 -0.30 0.27 115.31 120.59 3hae h LEU 160 Ca -0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3hae h LEU 160 Cb 0.75 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hae h LEU 160 CO 0.16 0.49 -0.21 -0.33 0.09 0.00 0.00 178.44 178.64 3hae h GLU 161 N 0.73 0.00 0.00 1.13 5.08 -1.02 -3.33 114.58 117.17 3hae h GLU 161 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hae h GLU 161 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hae h GLU 161 CO -0.04 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 3hae n GLY 162 N 0.82 0.33 0.29 -3.84 0.00 -0.74 -4.66 105.19 97.39 3hae n GLY 162 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3hae n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hae h THR 163 N 0.00 0.71 0.04 2.61 2.02 -1.03 -0.55 112.91 116.72 3hae h THR 163 Ca 0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3hae h THR 163 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3hae h THR 163 CO 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 175.52 175.97 3hae h VAL 165 N -0.07 1.16 -0.35 0.00 -1.51 -1.37 -1.69 116.25 112.41 3hae h VAL 165 Ca -0.01 -0.59 -0.09 0.00 -1.23 0.00 0.00 66.70 64.78 3hae h VAL 165 Cb 0.05 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 3hae h VAL 165 CO 0.01 0.20 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.08 3hae h GLU 166 N 0.41 0.71 -0.15 5.19 5.08 -0.96 -0.51 114.58 124.35 3hae h GLU 166 Ca 0.09 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 57.95 3hae h GLU 166 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hae h GLU 166 CO 0.00 0.90 -0.71 -1.49 -1.00 0.00 0.00 179.01 176.71 3hae h TRP 167 N 0.49 0.87 0.02 4.33 4.06 -1.14 -1.71 115.95 122.87 3hae h TRP 167 Ca 0.08 -0.37 0.01 0.00 2.06 0.00 0.00 58.89 60.67 3hae h TRP 167 Cb 0.67 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3hae h TRP 167 CO 0.06 1.16 -0.06 1.25 -3.56 0.00 0.00 178.44 177.29 3hae h LEU 168 N 0.46 -0.18 -0.59 -4.49 5.85 -1.21 0.28 115.31 115.44 3hae h LEU 168 Ca -0.03 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3hae h LEU 168 Cb 1.31 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3hae h LEU 168 CO 0.14 -0.10 0.18 0.03 -0.34 0.00 0.00 178.44 178.35 3hae h ARG 169 N -0.12 0.33 0.11 1.25 3.08 -1.00 0.21 114.38 118.24 3hae h ARG 169 Ca 0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hae h ARG 169 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hae h ARG 169 CO -0.05 0.22 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.91 3hae h ARG 170 N 0.34 -0.16 -0.28 0.04 2.43 -0.76 -1.72 114.38 114.26 3hae h ARG 170 Ca 0.30 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.54 3hae h ARG 170 Cb 0.39 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3hae h ARG 170 CO -0.33 -0.11 -0.16 1.88 -1.51 0.00 0.00 179.97 179.74 3hae h TYR 171 N -0.17 -0.39 -0.68 2.20 0.05 0.76 -0.30 116.97 118.44 3hae h TYR 171 Ca -0.01 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.88 3hae h TYR 171 Cb 0.14 0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 3hae h TYR 171 CO -0.08 -0.23 0.36 -0.07 -1.05 0.00 0.00 178.16 177.09 3hae h LEU 172 N -0.12 0.49 0.73 3.88 3.38 -0.39 0.33 115.31 123.62 3hae h LEU 172 Ca 0.15 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hae h LEU 172 Cb 0.35 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hae h LEU 172 CO -0.36 0.30 -0.43 -0.33 0.09 0.00 0.00 178.44 177.71 3hae h GLU 173 N 0.63 -1.05 -0.91 1.13 5.08 -0.54 0.26 114.58 119.18 3hae h GLU 173 Ca 0.32 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.88 3hae h GLU 173 Cb 0.27 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 3hae h GLU 173 CO -0.22 -0.70 0.58 -0.91 -1.00 0.00 0.00 179.01 176.76 3hae h ASN 174 N -1.08 0.74 -0.53 1.42 4.21 -0.67 -1.28 115.58 118.38 3hae h ASN 174 Ca -0.10 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3hae h ASN 174 Cb 0.86 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3hae h ASN 174 CO 0.11 0.39 0.00 0.61 -1.29 0.00 0.00 177.43 177.25 3hae n GLY 175 N -1.41 2.37 0.25 2.83 0.00 0.11 -4.70 105.19 104.64 3hae n GLY 175 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3hae n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hae h LYS 176 N 3.42 0.02 -0.92 1.61 2.10 0.30 0.30 116.57 123.41 3hae h LYS 176 Ca 0.00 -0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.90 3hae h LYS 176 Cb 1.35 -0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 32.51 3hae h LYS 176 CO 0.24 0.02 0.12 0.93 -2.00 0.00 0.00 179.45 178.76 3hae h GLU 177 N 0.03 0.08 0.00 0.07 3.07 -1.85 -2.43 114.58 113.55 3hae h GLU 177 Ca 0.32 -0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.83 3hae h GLU 177 Cb 0.51 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 3hae h GLU 177 CO -0.65 0.05 -2.33 0.25 -1.40 0.00 0.00 179.01 174.94 3hae n THR 178 N -5.37 1.33 0.10 1.13 -2.24 -0.33 -4.33 114.28 104.58 3hae n THR 178 Ca 0.22 -0.52 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 3hae n THR 178 Cb 0.73 -1.30 0.04 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.00 0.12 -2.84 3.22 3.38 -0.41 -3.28 115.31 115.50 3hae h LEU 179 Ca -0.52 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3hae h LEU 179 Cb 1.82 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3hae h LEU 179 CO -0.08 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.32 3hae n GLN 180 N -3.66 2.83 -0.67 1.13 10.64 -0.92 -4.96 117.38 121.76 3hae n GLN 180 Ca -0.02 -2.28 -0.30 0.00 -1.83 0.00 0.00 57.00 52.57 3hae n GLN 180 Cb 0.75 -1.38 0.20 0.00 -0.86 0.00 0.00 30.24 28.95 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 -1.01 0.29 -0.06 2.61 1.70 -1.24 -5.06 118.95 116.19 3hae s ARG 181 Ca 0.33 1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 56.82 3hae s ARG 181 Cb 0.17 -1.67 0.03 0.00 -0.57 0.00 0.00 34.95 32.91 3hae s ARG 181 CO 0.22 -3.03 0.01 0.95 -1.08 0.00 0.00 175.30 172.37 3hae s THR 182 N -2.59 0.27 -0.42 4.99 -4.23 -1.26 -4.71 115.64 107.68 3hae s THR 182 Ca 0.67 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 61.15 3hae s THR 182 Cb -0.23 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.21 3hae s THR 182 CO 0.60 0.22 0.47 -1.81 -0.54 0.00 0.00 174.62 173.57 3hae s ASP 183 N 1.72 6.22 0.54 3.99 1.01 0.24 -4.88 116.67 125.50 3hae s ASP 183 Ca 0.01 -0.61 -0.21 0.00 0.71 0.00 0.00 52.55 52.45 3hae s ASP 183 Cb -0.13 -2.24 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 3hae s ASP 183 CO -0.04 -0.61 0.99 0.00 0.21 0.00 0.00 175.17 175.73 3hae n ALA 184 N 5.71 0.26 -1.76 5.23 0.00 -1.26 -1.85 120.51 126.83 3hae n ALA 184 Ca -0.06 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 3hae n ALA 184 Cb 0.47 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 3hae n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hae s PRO 185 N -2.49 4.49 -0.27 0.00 0.04 -1.26 -4.57 135.00 130.95 3hae s PRO 185 Ca 0.71 1.82 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 3hae s PRO 185 Cb -0.46 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3hae s PRO 185 CO 0.51 0.07 0.70 0.15 0.04 0.00 0.00 177.00 178.47 3hae s LYS 186 N -1.69 4.05 -0.01 4.56 -0.14 0.28 -4.85 119.74 121.94 3hae s LYS 186 Ca 0.48 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.68 3hae s LYS 186 Cb -0.32 -3.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.12 3hae s LYS 186 CO 0.41 -0.52 -0.05 0.95 -0.76 0.00 0.00 175.35 175.38 3hae s THR 187 N 2.68 3.80 0.22 2.17 -4.23 -1.26 -1.24 115.64 117.77 3hae s THR 187 Ca 0.29 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 3hae s THR 187 Cb -0.15 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3hae s THR 187 CO 0.10 0.43 0.52 -1.38 -0.54 0.00 0.00 174.62 173.74 3hae s HIS 188 N -0.98 0.04 -0.04 3.99 -3.43 -1.10 -5.00 115.29 108.77 3hae s HIS 188 Ca 0.17 -0.41 0.07 0.00 -0.80 0.00 0.00 55.06 54.09 3hae s HIS 188 Cb -0.11 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.36 3hae s HIS 188 CO 0.07 -0.96 -0.26 1.41 -2.00 0.00 0.00 174.74 173.00 3hae s MET 189 N -3.92 2.33 0.38 -0.38 1.75 -1.26 -0.90 119.30 117.31 3hae s MET 189 Ca 0.13 -0.92 0.08 0.00 -1.25 0.00 0.00 55.69 53.74 3hae s MET 189 Cb -0.01 -2.10 -0.07 0.00 2.84 0.00 0.00 34.83 35.49 3hae s MET 189 CO 0.02 0.47 0.02 0.95 -0.65 0.00 0.00 175.02 175.83 3hae s THR 190 N -0.38 2.22 -0.15 10.11 -4.23 0.38 -4.97 115.64 118.61 3hae s THR 190 Ca 0.03 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 3hae s THR 190 Cb -0.12 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 70.90 3hae s THR 190 CO 0.01 -0.08 0.33 -2.28 -0.54 0.00 0.00 174.62 172.07 3hae s HIS 191 N -2.63 -0.55 -0.06 3.99 5.04 -1.26 -1.33 115.29 118.48 3hae s HIS 191 Ca 0.36 1.16 0.04 0.00 -1.54 0.00 0.00 55.06 55.08 3hae s HIS 191 Cb 0.06 0.13 -0.00 0.00 0.04 0.00 0.00 32.58 32.80 3hae s HIS 191 CO 0.19 -0.37 -0.19 -1.01 -2.34 0.00 0.00 174.74 171.01 3hae s HIS 192 N 2.12 2.01 -0.69 3.88 3.76 -0.71 -4.98 115.29 120.67 3hae s HIS 192 Ca -0.03 -0.67 -0.27 0.00 -0.15 0.00 0.00 55.06 53.93 3hae s HIS 192 Cb -0.11 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.24 3hae s HIS 192 CO -0.10 -0.25 1.45 0.00 -0.85 0.00 0.00 174.74 174.98 3hae s ALA 193 N 0.17 2.60 0.38 -1.40 0.00 -1.26 -0.65 121.76 121.61 3hae s ALA 193 Ca -0.09 -1.11 0.19 0.00 0.00 0.00 0.00 51.96 50.94 3hae s ALA 193 Cb -0.14 -4.26 1.03 0.00 0.00 0.00 0.00 23.12 19.75 3hae s ALA 193 CO 0.04 -3.43 1.94 0.28 0.00 0.00 0.00 175.76 174.60 3hae h VAL 194 N 6.30 0.95 -1.77 0.00 2.07 -1.82 -3.48 116.25 118.50 3hae h VAL 194 Ca -0.27 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3hae h VAL 194 Cb 1.08 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3hae h VAL 194 CO 1.25 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 177.54 3hae n SER 195 N -3.94 0.00 0.26 0.57 3.41 -1.16 -4.94 113.62 107.83 3hae n SER 195 Ca -0.02 -0.96 0.15 0.00 -0.26 0.00 0.00 58.87 57.79 3hae n SER 195 Cb 0.32 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.00 0.00 0.00 4.04 5.19 -2.03 -3.35 116.42 120.27 3hae h ASP 196 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 3hae h ASP 196 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3hae h ASP 196 CO 0.00 0.06 -2.06 1.41 -3.12 0.00 0.00 179.24 175.53 3hae n HIS 197 N -3.18 0.00 -4.22 4.55 8.25 -1.26 -4.72 115.22 114.64 3hae n HIS 197 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 3hae n HIS 197 Cb 0.34 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 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 -3.02 0.99 -0.02 -0.41 2.02 -1.26 -1.88 118.70 115.12 3hae s GLU 198 Ca -0.08 -1.42 -0.11 0.00 0.02 0.00 0.00 54.97 53.38 3hae s GLU 198 Cb 0.10 -0.44 0.01 0.00 0.10 0.00 0.00 34.13 33.90 3hae s GLU 198 CO 0.81 0.02 0.23 0.00 0.02 0.00 0.00 175.26 176.34 3hae s ALA 199 N -3.46 -0.57 -0.17 5.21 0.00 0.13 -2.42 121.76 120.47 3hae s ALA 199 Ca 0.16 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 3hae s ALA 199 Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3hae s ALA 199 CO -0.01 -0.22 0.25 0.99 0.00 0.00 0.00 175.76 176.77 3hae s THR 200 N -1.13 5.33 -0.31 0.00 2.01 0.18 0.45 115.64 122.17 3hae s THR 200 Ca -0.12 0.45 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 3hae s THR 200 Cb -0.06 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.88 3hae s THR 200 CO 0.03 0.39 0.09 -0.76 -0.69 0.00 0.00 174.62 173.68 3hae s LEU 201 N 0.49 4.05 -0.19 4.42 1.43 0.51 -1.74 118.68 127.65 3hae s LEU 201 Ca 0.14 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 3hae s LEU 201 Cb -0.13 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hae s LEU 201 CO 0.02 -0.25 -0.03 -0.60 0.23 0.00 0.00 176.35 175.72 3hae s ARG 202 N 1.46 3.53 -0.25 1.70 3.52 -0.45 -1.59 118.95 126.87 3hae s ARG 202 Ca 0.01 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3hae s ARG 202 Cb -0.18 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3hae s ARG 202 CO 0.03 0.01 0.06 0.00 -0.81 0.00 0.00 175.30 174.59 3hae s TRP 204 N 1.59 3.08 -0.20 0.00 0.52 -0.07 -0.94 118.94 122.92 3hae s TRP 204 Ca 0.06 0.11 -0.02 0.00 0.02 0.00 0.00 56.10 56.27 3hae s TRP 204 Cb -0.15 -1.71 0.06 0.00 -1.15 0.00 0.00 33.47 30.52 3hae s TRP 204 CO 0.03 0.45 0.01 0.00 0.02 0.00 0.00 176.95 177.45 3hae s ALA 205 N -0.99 1.27 0.17 0.98 0.00 -0.50 -2.70 121.76 120.00 3hae s ALA 205 Ca 0.17 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.37 3hae s ALA 205 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3hae s ALA 205 CO 0.07 -1.15 -0.22 -0.51 0.00 0.00 0.00 175.76 173.94 3hae s LEU 206 N 1.73 2.52 -1.16 0.00 1.43 -0.37 -1.71 118.68 121.11 3hae s LEU 206 Ca -0.02 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 3hae s LEU 206 Cb -0.17 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3hae s LEU 206 CO -0.07 0.13 0.83 -0.24 0.23 0.00 0.00 176.35 177.23 3hae n SER 207 N 0.40 -4.31 -4.50 2.29 2.88 -0.17 -0.56 113.62 109.65 3hae n SER 207 Ca -0.14 -0.82 -0.24 0.00 -1.33 0.00 0.00 58.87 56.34 3hae n SER 207 Cb 0.55 -4.35 -0.10 0.00 -0.75 0.00 0.00 64.21 59.56 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 -3.49 2.25 -0.29 0.66 -0.12 -0.84 -4.54 117.98 111.62 3hae s PHE 208 Ca 0.30 -0.54 -0.16 0.00 -0.05 0.00 0.00 56.93 56.48 3hae s PHE 208 Cb -0.07 -1.26 0.11 0.00 -0.63 0.00 0.00 43.02 41.17 3hae s PHE 208 CO 0.79 0.51 0.80 -0.47 -0.05 0.00 0.00 175.22 176.80 3hae s TYR 209 N -2.72 -0.89 1.27 3.49 5.04 -0.77 -0.41 117.35 122.36 3hae s TYR 209 Ca 0.31 1.76 -0.20 0.00 -2.44 0.00 0.00 57.07 56.50 3hae s TYR 209 Cb 0.02 0.53 0.31 0.00 0.35 0.00 0.00 41.96 43.18 3hae s TYR 209 CO 0.15 -0.44 1.04 -1.25 -1.34 0.00 0.00 175.55 173.71 3hae s PRO 210 N 1.63 -1.78 0.30 4.97 0.04 -1.26 -0.59 135.00 138.31 3hae s PRO 210 Ca -0.09 0.05 0.26 0.00 0.04 0.00 0.00 61.00 61.26 3hae s PRO 210 Cb -0.05 -1.52 0.88 0.00 0.04 0.00 0.00 34.50 33.85 3hae s PRO 210 CO -0.18 -4.10 1.76 0.00 0.04 0.00 0.00 177.00 174.52 3hae h ALA 211 N -2.86 1.00 -1.95 8.56 0.00 -1.97 -3.44 119.26 118.60 3hae h ALA 211 Ca -0.45 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 3hae h ALA 211 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3hae h ALA 211 CO 0.33 0.00 1.35 -2.00 0.00 0.00 0.00 179.25 178.93 3hae s GLU 212 N -3.26 3.33 0.03 0.00 2.56 -1.26 -4.96 118.70 115.13 3hae s GLU 212 Ca 0.07 1.75 -0.01 0.00 0.00 0.00 0.00 54.97 56.77 3hae s GLU 212 Cb 0.10 -4.25 -0.02 0.00 2.00 0.00 0.00 34.13 31.95 3hae s GLU 212 CO 0.53 -1.87 -0.01 -1.50 -0.56 0.00 0.00 175.26 171.86 3hae s ILE 213 N 7.21 0.14 -0.11 -3.70 2.07 -1.26 -4.56 121.20 120.99 3hae s ILE 213 Ca 0.88 -1.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 3hae s ILE 213 Cb -0.28 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.60 3hae s ILE 213 CO 0.34 -0.66 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.70 3hae s THR 214 N -2.36 1.33 -0.24 4.00 2.01 -0.69 -5.01 115.64 114.68 3hae s THR 214 Ca -0.07 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 3hae s THR 214 Cb -0.03 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.26 3hae s THR 214 CO -0.04 0.41 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 3hae s LEU 215 N 1.18 3.15 0.15 4.42 1.43 -1.26 -1.24 118.68 126.51 3hae s LEU 215 Ca -0.03 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.18 3hae s LEU 215 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3hae s LEU 215 CO -0.04 -0.13 -0.14 0.42 0.23 0.00 0.00 176.35 176.69 3hae s THR 216 N 1.27 3.00 -0.06 5.49 -4.23 -0.60 -4.97 115.64 115.54 3hae s THR 216 Ca -0.01 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.85 3hae s THR 216 Cb -0.17 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3hae s THR 216 CO -0.05 -0.02 0.11 0.26 -0.54 0.00 0.00 174.62 174.38 3hae s TRP 217 N -1.47 3.44 0.04 3.99 0.52 -1.26 -0.58 118.94 123.62 3hae s TRP 217 Ca 0.22 0.36 0.07 0.00 0.02 0.00 0.00 56.10 56.77 3hae s TRP 217 Cb -0.09 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3hae s TRP 217 CO 0.13 0.63 -0.19 -1.14 0.02 0.00 0.00 176.95 176.40 3hae s GLN 218 N -1.36 1.30 -0.12 4.98 0.74 0.79 -1.20 119.66 124.80 3hae s GLN 218 Ca 0.19 -0.88 0.03 0.00 0.05 0.00 0.00 55.36 54.75 3hae s GLN 218 Cb -0.12 -1.38 0.01 0.00 1.10 0.00 0.00 33.01 32.62 3hae s GLN 218 CO 0.09 0.35 -0.21 0.50 -0.55 0.00 0.00 175.29 175.47 3hae s ARG 219 N -1.11 2.82 -0.22 1.67 3.52 -0.01 -1.28 118.95 124.33 3hae s ARG 219 Ca 0.06 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 3hae s ARG 219 Cb -0.08 -2.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.08 3hae s ARG 219 CO 0.01 0.05 0.08 -0.40 -0.81 0.00 0.00 175.30 174.23 3hae n ASP 220 N 3.89 -0.43 -0.57 -2.12 5.68 0.85 -0.07 116.55 123.78 3hae n ASP 220 Ca -0.20 -0.22 -0.07 0.00 -0.50 0.00 0.00 54.79 53.80 3hae n ASP 220 Cb 0.52 -0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 3hae n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hae n GLY 221 N -1.17 0.94 3.28 6.12 0.00 -1.26 -5.03 105.19 108.06 3hae n GLY 221 Ca -0.03 -0.56 -0.31 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 -2.46 2.21 -0.15 1.61 -1.05 0.90 -5.08 118.70 114.67 3hae s GLU 222 Ca 0.00 -0.89 -0.40 0.00 -0.15 0.00 0.00 54.97 53.54 3hae s GLU 222 Cb 0.00 -2.02 -0.17 0.00 -0.44 0.00 0.00 34.13 31.50 3hae s GLU 222 CO 0.00 0.47 1.54 -0.25 0.95 0.00 0.00 175.26 177.97 3hae n ASP 223 N 2.66 1.85 -4.19 0.83 8.00 -1.26 -0.83 116.55 123.61 3hae n ASP 223 Ca -0.17 1.11 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 3hae n ASP 223 Cb 0.52 -1.12 -0.15 0.00 -0.02 0.00 0.00 41.12 40.35 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 2.17 2.84 -0.07 -1.24 2.00 -0.34 -4.81 119.66 120.20 3hae s GLN 224 Ca 0.94 -0.97 0.06 0.00 -2.00 0.00 0.00 55.36 53.39 3hae s GLN 224 Cb -1.08 -2.93 -0.09 0.00 0.80 0.00 0.00 33.01 29.70 3hae s GLN 224 CO 0.60 -0.38 0.03 -2.37 -0.50 0.00 0.00 175.29 172.67 3hae n THR 225 N 4.65 0.46 -1.49 -0.34 5.66 -1.26 -4.34 114.28 117.63 3hae n THR 225 Ca -0.17 -0.30 -0.36 0.00 -3.05 0.00 0.00 64.05 60.17 3hae n THR 225 Cb 0.47 -0.74 0.08 0.00 -1.55 0.00 0.00 70.33 68.59 3hae n THR 225 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hae n GLN 226 N -2.24 0.72 -3.89 1.09 1.13 -1.26 -3.67 117.38 109.26 3hae n GLN 226 Ca -0.11 0.30 -0.26 0.00 -1.94 0.00 0.00 57.00 54.99 3hae n GLN 226 Cb 0.70 -2.35 0.01 0.00 0.11 0.00 0.00 30.24 28.71 3hae n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3hae n ASP 227 N -1.86 -1.92 -4.01 1.08 8.00 -1.26 -4.89 116.55 111.69 3hae n ASP 227 Ca 0.14 -0.90 -0.28 0.00 0.71 0.00 0.00 54.79 54.46 3hae n ASP 227 Cb 0.49 -3.53 -0.17 0.00 -0.02 0.00 0.00 41.12 37.89 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 -3.64 1.40 -0.07 -3.53 2.01 -1.24 -2.41 115.64 108.15 3hae s THR 228 Ca 0.23 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 3hae s THR 228 Cb -0.12 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3hae s THR 228 CO 0.86 0.43 -0.01 -0.70 -0.69 0.00 0.00 174.62 174.50 3hae s GLU 229 N 1.25 2.92 -0.14 4.92 2.12 0.12 -4.97 118.70 124.92 3hae s GLU 229 Ca -0.01 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 3hae s GLU 229 Cb -0.14 -2.75 0.07 0.00 0.26 0.00 0.00 34.13 31.57 3hae s GLU 229 CO -0.05 0.69 0.18 -1.17 -0.54 0.00 0.00 175.26 174.37 3hae s LEU 230 N -0.96 -0.05 0.50 2.70 2.96 -1.26 -0.11 118.68 122.46 3hae s LEU 230 Ca 0.14 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.97 3hae s LEU 230 Cb -0.11 0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.81 3hae s LEU 230 CO 0.03 -0.29 0.86 0.68 -1.32 0.00 0.00 176.35 176.31 3hae s VAL 231 N 2.29 4.80 0.29 1.68 -7.23 -1.09 -5.04 120.40 116.10 3hae s VAL 231 Ca 0.04 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.49 3hae s VAL 231 Cb -0.14 -3.82 -0.10 0.00 0.56 0.00 0.00 36.38 32.88 3hae s VAL 231 CO -0.09 -0.83 1.25 -0.70 -0.31 0.00 0.00 175.10 174.43 3hae s GLU 232 N -4.56 4.44 0.21 4.82 2.12 -1.26 -4.59 118.70 119.87 3hae s GLU 232 Ca 0.51 2.08 -0.32 0.00 0.36 0.00 0.00 54.97 57.60 3hae s GLU 232 Cb -0.10 -3.13 -0.14 0.00 0.26 0.00 0.00 34.13 31.02 3hae s GLU 232 CO 0.42 -0.10 1.47 2.41 -0.54 0.00 0.00 175.26 178.92 3hae n THR 233 N 1.27 0.59 -4.35 -1.70 -1.04 -1.26 -4.87 114.28 102.92 3hae n THR 233 Ca 0.01 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.05 61.67 3hae n THR 233 Cb 0.43 -1.49 -0.10 0.00 -1.82 0.00 0.00 70.33 67.35 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 0.08 1.33 0.04 -2.82 1.70 0.00 -4.97 118.95 114.32 3hae s ARG 234 Ca 0.72 -1.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.17 3hae s ARG 234 Cb -0.67 -1.26 -0.04 0.00 -0.57 0.00 0.00 34.95 32.41 3hae s ARG 234 CO 0.45 0.23 0.93 -1.25 -1.08 0.00 0.00 175.30 174.59 3hae s PRO 235 N -3.27 4.60 0.24 3.89 0.04 -1.26 -1.38 135.00 137.85 3hae s PRO 235 Ca 0.20 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 3hae s PRO 235 Cb -0.03 -3.42 0.29 0.00 0.04 0.00 0.00 34.50 31.38 3hae s PRO 235 CO 0.07 0.09 1.68 0.00 0.04 0.00 0.00 177.00 178.89 3hae h ALA 236 N 6.23 0.99 0.00 8.56 0.00 -1.46 -3.46 119.26 130.12 3hae h ALA 236 Ca -0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3hae h ALA 236 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hae h ALA 236 CO 0.73 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.99 3hae n GLY 237 N -0.36 1.17 0.71 0.00 0.00 -1.26 -4.94 105.19 100.51 3hae n GLY 237 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3hae n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hae n ASP 238 N 0.00 0.98 0.00 1.61 5.75 -1.26 -4.96 116.55 118.67 3hae n ASP 238 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 3hae n ASP 238 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.31 1.63 3.60 6.12 0.00 -1.26 -5.04 105.19 109.93 3hae n GLY 239 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.20 2.61 -2.24 -1.26 -4.90 114.28 102.29 3hae n THR 240 Ca 0.00 -1.82 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 3hae n THR 240 Cb 0.00 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.36 1.06 0.06 4.78 0.40 0.45 -1.17 117.98 121.21 3hae s PHE 241 Ca 0.52 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 56.08 3hae s PHE 241 Cb -0.04 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 3hae s PHE 241 CO 0.33 -0.04 -0.14 -0.65 0.70 0.00 0.00 175.22 175.42 3hae s GLN 242 N -3.71 0.85 0.05 0.44 -0.21 -0.48 -1.00 119.66 115.60 3hae s GLN 242 Ca 0.13 -0.90 -0.19 0.00 0.02 0.00 0.00 55.36 54.43 3hae s GLN 242 Cb 0.03 -0.86 0.04 0.00 1.00 0.00 0.00 33.01 33.22 3hae s GLN 242 CO -0.02 0.20 0.43 0.21 -2.12 0.00 0.00 175.29 173.99 3hae s LYS 243 N -1.56 0.95 0.04 2.91 2.20 -0.69 -0.81 119.74 122.77 3hae s LYS 243 Ca -0.01 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 3hae s LYS 243 Cb -0.09 0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 36.65 3hae s LYS 243 CO 0.02 -0.33 0.16 1.67 -0.36 0.00 0.00 175.35 176.50 3hae s TRP 244 N -2.59 0.10 -0.00 4.03 1.48 -1.26 -1.41 118.94 119.28 3hae s TRP 244 Ca -0.05 -0.33 0.06 0.00 -1.06 0.00 0.00 56.10 54.72 3hae s TRP 244 Cb -0.01 -0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 3hae s TRP 244 CO -0.03 -0.39 -0.18 0.00 -4.06 0.00 0.00 176.95 172.28 3hae s ALA 245 N -2.46 1.53 0.04 2.67 0.00 -0.11 -2.65 121.76 120.77 3hae s ALA 245 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hae s ALA 245 Cb -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3hae s ALA 245 CO -0.04 0.37 -0.08 0.00 0.00 0.00 0.00 175.76 176.01 3hae s ALA 246 N -0.49 0.60 0.08 0.00 0.00 0.84 0.25 121.76 123.04 3hae s ALA 246 Ca 0.07 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3hae s ALA 246 Cb -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3hae s ALA 246 CO -0.00 -0.03 -0.21 0.08 0.00 0.00 0.00 175.76 175.59 3hae s VAL 247 N -1.49 1.75 -0.11 0.00 1.01 -0.62 -0.71 120.40 120.23 3hae s VAL 247 Ca -0.09 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 3hae s VAL 247 Cb -0.09 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3hae s VAL 247 CO 0.00 0.06 0.33 0.68 0.00 0.00 0.00 175.10 176.17 3hae s VAL 248 N -1.01 5.24 0.04 2.92 -7.23 -1.01 -0.36 120.40 118.98 3hae s VAL 248 Ca 0.07 0.65 0.05 0.00 -1.81 0.00 0.00 61.98 60.94 3hae s VAL 248 Cb -0.10 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 3hae s VAL 248 CO 0.03 0.45 -0.15 0.68 -0.31 0.00 0.00 175.10 175.80 3hae s VAL 249 N -0.01 1.19 0.12 1.32 -7.23 0.17 -4.92 120.40 111.04 3hae s VAL 249 Ca 0.19 -1.01 -0.35 0.00 -1.81 0.00 0.00 61.98 59.00 3hae s VAL 249 Cb -0.14 -1.07 -0.16 0.00 0.56 0.00 0.00 36.38 35.57 3hae s VAL 249 CO 0.07 0.04 1.30 -0.81 -0.31 0.00 0.00 175.10 175.40 3hae n PRO 250 N 1.92 1.22 -1.67 4.82 -0.04 -1.26 0.20 135.00 140.19 3hae n PRO 250 Ca -0.18 0.44 -0.44 0.00 -0.04 0.00 0.00 63.50 63.28 3hae n PRO 250 Cb 0.55 -2.05 -0.02 0.00 -0.04 0.00 0.00 33.50 31.93 3hae n PRO 250 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hae n SER 251 N 2.42 2.68 0.00 3.54 3.41 -0.79 -1.42 113.62 123.47 3hae n SER 251 Ca 0.17 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 3hae n SER 251 Cb 0.21 -1.43 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 1.86 1.54 0.65 5.00 0.00 -1.26 -4.88 105.19 108.10 3hae n GLY 252 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 1.26 -0.27 1.61 6.02 -0.50 -4.68 117.38 118.81 3hae n GLN 253 Ca 0.00 -1.47 0.19 0.00 -0.01 0.00 0.00 57.00 55.71 3hae n GLN 253 Cb 0.00 -1.31 0.35 0.00 1.02 0.00 0.00 30.24 30.30 3hae n GLN 253 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hae n GLU 254 N 0.91 -0.06 0.09 -1.09 4.71 -1.26 -0.45 120.64 123.49 3hae n GLU 254 Ca 0.10 1.19 0.10 0.00 -0.01 0.00 0.00 57.16 58.54 3hae n GLU 254 Cb 0.41 -2.00 0.43 0.00 -1.01 0.00 0.00 31.44 29.27 3hae n GLU 254 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3hae n GLN 255 N -5.03 0.13 0.25 3.49 1.13 -1.26 -2.32 117.38 113.77 3hae n GLN 255 Ca 0.25 0.35 0.14 0.00 -1.94 0.00 0.00 57.00 55.80 3hae n GLN 255 Cb 0.83 -1.74 0.55 0.00 0.11 0.00 0.00 30.24 29.98 3hae n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hae h ARG 256 N 0.00 0.00 -5.83 -1.09 2.47 -1.13 -3.45 114.38 105.35 3hae h ARG 256 Ca 0.00 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.05 3hae h ARG 256 Cb 0.35 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.52 3hae h ARG 256 CO 0.00 0.10 -0.60 0.71 0.56 0.00 0.00 179.97 180.73 3hae s TYR 257 N -3.62 3.22 0.08 3.04 1.51 -0.98 -0.11 117.35 120.49 3hae s TYR 257 Ca 0.01 0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.34 3hae s TYR 257 Cb 0.09 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 3hae s TYR 257 CO 0.59 0.44 -0.18 0.95 -1.11 0.00 0.00 175.55 176.24 3hae s THR 258 N -0.71 1.48 -0.15 -0.71 -4.23 -0.40 -4.43 115.64 106.49 3hae s THR 258 Ca 0.11 -1.39 -0.07 0.00 -1.18 0.00 0.00 61.69 59.16 3hae s THR 258 Cb -0.12 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 3hae s THR 258 CO 0.02 -0.08 0.07 0.00 -0.54 0.00 0.00 174.62 174.10 3hae s HIS 260 N -0.15 2.76 -0.13 0.00 3.76 0.25 0.03 115.29 121.81 3hae s HIS 260 Ca 0.08 -1.25 -0.01 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 0.01 -0.59 -0.10 0.08 -0.85 0.00 0.00 174.74 173.29 3hae s VAL 261 N 0.96 3.33 -0.04 -0.90 1.01 -0.59 -1.55 120.40 122.62 3hae s VAL 261 Ca -0.03 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3hae s VAL 261 Cb -0.15 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 3hae s VAL 261 CO -0.04 0.52 -0.15 -1.10 0.00 0.00 0.00 175.10 174.34 3hae s GLN 262 N 0.23 1.58 -0.27 2.72 -0.21 -0.37 -1.75 119.66 121.59 3hae s GLN 262 Ca -0.07 -0.52 -0.25 0.00 0.02 0.00 0.00 55.36 54.54 3hae s GLN 262 Cb -0.15 -1.38 0.11 0.00 1.00 0.00 0.00 33.01 32.59 3hae s GLN 262 CO 0.04 0.20 0.97 -1.58 -2.12 0.00 0.00 175.29 172.81 3hae s HIS 263 N 0.11 -0.52 0.39 0.91 2.46 -1.26 -1.70 115.29 115.68 3hae s HIS 263 Ca -0.04 1.25 0.16 0.00 0.47 0.00 0.00 55.06 56.90 3hae s HIS 263 Cb -0.11 0.35 1.04 0.00 -0.13 0.00 0.00 32.58 33.73 3hae s HIS 263 CO 0.02 -0.27 1.81 1.49 -2.47 0.00 0.00 174.74 175.32 3hae h GLU 264 N 4.22 0.44 0.00 2.88 4.81 -1.95 -1.85 114.58 123.13 3hae h GLU 264 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3hae h GLU 264 Cb 1.17 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3hae h GLU 264 CO 0.11 0.29 0.00 0.41 -0.73 0.00 0.00 179.01 179.10 3hae n GLY 265 N -1.47 -1.04 3.69 1.92 0.00 -1.26 -4.72 105.19 102.30 3hae n GLY 265 Ca 0.22 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.75 4.13 0.21 0.99 1.43 -0.70 -4.48 118.68 116.52 3hae s LEU 266 Ca 0.04 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3hae s LEU 266 Cb 0.08 -2.09 0.21 0.00 0.03 0.00 0.00 46.19 44.43 3hae s LEU 266 CO 0.28 0.12 1.84 -0.65 0.23 0.00 0.00 176.35 178.17 3hae h PRO 267 N 7.08 0.80 -5.12 1.29 0.11 -1.87 -3.42 132.00 130.88 3hae h PRO 267 Ca -0.39 -0.05 -0.39 0.00 0.11 0.00 0.00 66.00 65.28 3hae h PRO 267 Cb 1.16 -0.18 -0.23 0.00 0.11 0.00 0.00 31.00 31.86 3hae h PRO 267 CO 0.71 0.53 -0.77 0.15 -0.21 0.00 0.00 178.00 178.40 3hae s LYS 268 N -6.11 0.78 0.42 1.05 1.02 -1.26 -5.13 119.74 110.51 3hae s LYS 268 Ca -0.13 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 54.81 3hae s LYS 268 Cb 0.16 -0.73 -0.10 0.00 -0.52 0.00 0.00 37.83 36.63 3hae s LYS 268 CO 0.77 0.17 1.18 -0.35 -0.92 0.00 0.00 175.35 176.20 3hae n PRO 269 N 1.63 1.70 -3.04 -1.68 -0.04 -1.26 -5.00 135.00 127.31 3hae n PRO 269 Ca -0.20 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 3hae n PRO 269 Cb 0.55 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 3hae n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hae s LEU 270 N -1.33 4.26 -0.12 1.53 1.43 -0.71 -4.93 118.68 118.81 3hae s LEU 270 Ca 0.62 1.47 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 3hae s LEU 270 Cb -0.52 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 41.90 3hae s LEU 270 CO 0.57 -0.06 -0.16 -0.89 0.23 0.00 0.00 176.35 176.04 3hae s THR 271 N -1.67 1.62 -0.03 5.49 2.01 -1.26 -1.54 115.64 120.25 3hae s THR 271 Ca 0.48 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.82 3hae s THR 271 Cb -0.15 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3hae s THR 271 CO 0.20 0.46 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.65 3hae s LEU 272 N 1.00 2.48 -0.02 4.42 1.02 0.10 -4.93 118.68 122.75 3hae s LEU 272 Ca -0.06 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 53.82 3hae s LEU 272 Cb -0.15 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.59 3hae s LEU 272 CO -0.02 0.33 -0.12 -0.60 0.02 0.00 0.00 176.35 175.96 3hae s ARG 273 N -0.72 1.17 0.27 1.70 3.52 -1.26 0.49 118.95 124.11 3hae s ARG 273 Ca 0.11 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 3hae s ARG 273 Cb -0.10 -1.08 -0.14 0.00 -1.56 0.00 0.00 34.95 32.07 3hae s ARG 273 CO 0.00 0.20 1.26 1.87 -0.81 0.00 0.00 175.30 177.82 3hae n TRP 274 N 3.08 1.89 -3.67 5.12 -0.00 -1.26 -4.99 117.44 117.61 3hae n TRP 274 Ca -0.17 0.55 -0.29 0.00 -0.00 0.00 0.00 57.50 57.59 3hae n TRP 274 Cb 0.54 -2.38 -0.13 0.00 -0.00 0.00 0.00 31.31 29.34 3hae n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3hae s GLU 275 N -1.00 1.16 0.00 5.87 2.02 -1.26 -4.93 118.70 120.56 3hae s GLU 275 Ca 0.64 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.74 3hae s GLU 275 Cb -0.67 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.40 3hae s GLU 275 CO 0.55 -1.17 0.00 -2.30 0.02 0.00 0.00 175.26 172.36