#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s ASP -7 N 0.00 6.48 0.59 6.43 3.68 -1.26 -4.90 116.67 127.69 3hye s ASP -7 Ca 0.00 0.09 0.29 0.00 2.13 0.00 0.00 52.55 55.06 3hye s ASP -7 Cb 0.00 -2.49 1.44 0.00 -1.45 0.00 0.00 42.92 40.41 3hye s ASP -7 CO 0.00 -1.22 1.84 -0.65 0.13 0.00 0.00 175.17 175.27 3hye h PRO -6 N 9.26 0.00 -0.01 4.34 0.11 -2.02 0.67 132.00 144.35 3hye h PRO -6 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3hye h PRO -6 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hye h PRO -6 CO 1.10 0.00 -0.01 0.43 -0.21 0.00 0.00 178.00 179.30 3hye n SER -5 N -3.72 1.00 -0.43 -2.05 7.64 -1.26 -3.69 113.62 111.11 3hye n SER -5 Ca 0.11 -1.29 0.07 0.00 1.01 0.00 0.00 58.87 58.76 3hye n SER -5 Cb 0.78 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.12 3hye n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hye n SER -4 N -0.24 1.76 -0.11 6.43 7.64 0.23 -4.62 113.62 124.71 3hye n SER -4 Ca 0.20 -3.19 -0.22 0.00 1.01 0.00 0.00 58.87 56.67 3hye n SER -4 Cb 0.28 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 3hye n SER -4 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hye n ILE -3 N -1.01 1.52 0.04 0.44 5.41 -1.23 -4.62 119.36 119.90 3hye n ILE -3 Ca 0.15 -0.10 0.06 0.00 1.00 0.00 0.00 62.75 63.86 3hye n ILE -3 Cb 0.71 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.52 3hye n ILE -3 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hye n ASN -2 N -4.40 0.56 -0.69 4.38 5.03 -1.25 -1.46 115.26 117.43 3hye n ASN -2 Ca -0.36 0.23 0.09 0.00 0.87 0.00 0.00 54.58 55.41 3hye n ASN -2 Cb 0.70 0.82 -0.03 0.00 -1.02 0.00 0.00 39.78 40.24 3hye n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hye n GLY -1 N 1.31 -2.27 0.00 7.41 0.00 -1.26 -1.76 105.19 108.61 3hye n GLY -1 Ca -0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3hye n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 1 N -3.35 4.05 3.15 -0.02 0.00 -1.13 -4.68 105.19 103.21 3hye n GLY 1 Ca -0.02 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3hye n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hye s ILE 2 N -2.28 0.15 -0.05 -0.61 -4.36 -1.26 -1.55 121.20 111.24 3hye s ILE 2 Ca 0.00 -1.27 -0.08 0.00 -0.26 0.00 0.00 60.65 59.05 3hye s ILE 2 Cb 0.00 -1.22 0.01 0.00 1.25 0.00 0.00 42.46 42.50 3hye s ILE 2 CO 0.00 -0.70 0.19 -0.69 0.24 0.00 0.00 174.94 173.98 3hye s VAL 3 N -3.43 0.03 -0.11 8.37 1.01 -0.44 -2.63 120.40 123.21 3hye s VAL 3 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3hye s VAL 3 Cb 0.03 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3hye s VAL 3 CO -0.08 -0.13 0.28 0.54 0.00 0.00 0.00 175.10 175.70 3hye s VAL 4 N -0.45 -0.01 0.04 2.92 0.11 -0.07 -1.57 120.40 121.36 3hye s VAL 4 Ca -0.05 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.07 3hye s VAL 4 Cb -0.04 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 3hye s VAL 4 CO 0.01 0.01 -0.16 0.00 -3.33 0.00 0.00 175.10 171.63 3hye s ALA 5 N 0.34 1.36 0.02 1.54 0.00 -0.36 0.38 121.76 125.04 3hye s ALA 5 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3hye s ALA 5 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3hye s ALA 5 CO -0.01 0.28 -0.03 -1.64 0.00 0.00 0.00 175.76 174.36 3hye s MET 6 N -1.07 0.34 0.02 0.00 -1.94 0.11 -1.15 119.30 115.60 3hye s MET 6 Ca 0.04 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.37 3hye s MET 6 Cb -0.08 0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.81 3hye s MET 6 CO 0.01 -0.05 0.14 0.95 -0.01 0.00 0.00 175.02 176.07 3hye s THR 7 N -1.54 5.07 0.00 2.05 -4.23 -0.34 -0.37 115.64 116.28 3hye s THR 7 Ca -0.15 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3hye s THR 7 Cb -0.09 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3hye s THR 7 CO -0.01 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3hye n GLY 8 N 0.85 4.58 3.59 3.99 0.00 -0.20 -4.69 105.19 113.32 3hye n GLY 8 Ca -0.10 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3hye n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hye s LYS 9 N -0.49 3.47 -1.38 1.61 2.47 0.10 -3.39 119.74 122.14 3hye s LYS 9 Ca 0.00 0.93 -0.01 0.00 -1.56 0.00 0.00 55.97 55.33 3hye s LYS 9 Cb 0.00 -4.08 0.01 0.00 -1.46 0.00 0.00 37.83 32.30 3hye s LYS 9 CO 0.00 -1.70 0.11 -0.25 0.16 0.00 0.00 175.35 173.66 3hye n ASP 10 N 9.29 -4.81 -3.86 1.43 10.43 -1.26 -4.65 116.55 123.12 3hye n ASP 10 Ca 0.17 0.02 -0.08 0.00 2.57 0.00 0.00 54.79 57.47 3hye n ASP 10 Cb 0.48 -4.02 -0.03 0.00 1.84 0.00 0.00 41.12 39.39 3hye n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hye s VAL 12 N -3.93 0.10 0.01 0.00 -7.23 -0.63 -1.04 120.40 107.68 3hye s VAL 12 Ca 0.13 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3hye s VAL 12 Cb -0.04 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 3hye s VAL 12 CO 0.06 -0.45 -0.09 0.00 -0.31 0.00 0.00 175.10 174.31 3hye s ALA 13 N -1.95 0.76 -0.04 1.32 0.00 0.50 -0.02 121.76 122.34 3hye s ALA 13 Ca -0.10 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3hye s ALA 13 Cb -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3hye s ALA 13 CO -0.01 0.15 0.00 -1.50 0.00 0.00 0.00 175.76 174.41 3hye s ILE 14 N -0.48 0.19 0.18 0.00 2.07 -0.71 0.05 121.20 122.51 3hye s ILE 14 Ca 0.01 0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.43 3hye s ILE 14 Cb -0.05 -0.31 -0.05 0.00 0.13 0.00 0.00 42.46 42.18 3hye s ILE 14 CO 0.00 0.17 -0.11 0.00 -1.91 0.00 0.00 174.94 173.09 3hye s ALA 15 N 1.27 1.72 0.11 1.50 0.00 0.16 -0.95 121.76 125.57 3hye s ALA 15 Ca -0.06 -1.58 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 3hye s ALA 15 Cb -0.13 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.06 3hye s ALA 15 CO -0.02 -0.04 0.55 0.00 0.00 0.00 0.00 175.76 176.26 3hye s ASP 17 N -2.42 3.95 -0.04 0.00 3.84 -1.08 -0.96 116.67 119.96 3hye s ASP 17 Ca -0.01 0.09 0.07 0.00 -0.00 0.00 0.00 52.55 52.69 3hye s ASP 17 Cb -0.00 -0.39 0.14 0.00 -1.38 0.00 0.00 42.92 41.28 3hye s ASP 17 CO -0.08 -2.16 1.09 0.18 -0.00 0.00 0.00 175.17 174.20 3hye n LEU 18 N -3.24 2.29 -4.83 2.11 4.77 -0.48 -4.48 117.00 113.15 3hye n LEU 18 Ca 0.13 -2.32 -0.33 0.00 -0.03 0.00 0.00 56.01 53.46 3hye n LEU 18 Cb 0.60 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3hye n LEU 18 CO 0.46 0.59 0.63 -0.60 -1.33 0.00 0.00 177.39 177.14 3hye s ARG 19 N -1.56 4.17 -0.22 3.23 3.52 -1.00 -1.46 118.95 125.63 3hye s ARG 19 Ca 0.13 1.05 -0.03 0.00 -0.13 0.00 0.00 55.73 56.74 3hye s ARG 19 Cb 0.10 -2.20 0.11 0.00 -1.56 0.00 0.00 34.95 31.41 3hye s ARG 19 CO 0.03 -0.04 0.32 -1.17 -0.81 0.00 0.00 175.30 173.62 3hye s LEU 20 N -3.29 -0.43 0.00 -0.88 1.98 -0.41 -4.68 118.68 110.97 3hye s LEU 20 Ca 0.61 0.12 0.02 0.00 -2.89 0.00 0.00 54.13 52.00 3hye s LEU 20 Cb -0.09 0.84 -0.01 0.00 0.66 0.00 0.00 46.19 47.59 3hye s LEU 20 CO 0.16 -0.30 0.08 0.61 -1.89 0.00 0.00 176.35 175.01 3hye n GLY 21 N 5.35 3.42 2.69 7.98 0.00 -0.72 -0.44 105.19 123.47 3hye n GLY 21 Ca -0.05 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 3hye n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hye s SER 22 N -3.39 3.44 1.75 1.61 0.15 0.14 -3.94 113.70 113.46 3hye s SER 22 Ca 0.12 -3.14 0.00 0.00 0.70 0.00 0.00 55.95 53.63 3hye s SER 22 Cb 0.01 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 3hye s SER 22 CO 0.08 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.34 3hye n GLN 23 N 2.85 0.00 0.26 5.44 1.13 -0.53 -2.26 117.38 124.26 3hye n GLN 23 Ca 0.18 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.37 3hye n GLN 23 Cb 0.38 0.00 0.66 0.00 0.11 0.00 0.00 30.24 31.40 3hye n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hye h SER 24 N 0.00 0.00 -3.27 1.08 4.64 -1.96 -3.43 113.55 110.61 3hye h SER 24 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3hye h SER 24 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3hye h SER 24 CO 0.00 0.12 0.68 -0.22 -0.87 0.00 0.00 176.83 176.53 3hye s LEU 25 N -6.73 4.03 0.18 5.97 2.96 -0.96 -5.02 118.68 119.12 3hye s LEU 25 Ca -0.01 1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.66 3hye s LEU 25 Cb 0.11 -3.39 -0.08 0.00 0.50 0.00 0.00 46.19 43.34 3hye s LEU 25 CO 0.58 -0.71 1.09 -0.83 -1.32 0.00 0.00 176.35 175.15 3hye s GLY 26 N 1.47 2.88 -0.02 7.98 0.00 -1.26 0.27 107.32 118.64 3hye s GLY 26 Ca 0.41 0.80 -0.00 0.00 0.00 0.00 0.00 44.72 45.92 3hye s GLY 26 CO 0.11 1.62 -0.02 -0.62 0.00 0.00 0.00 173.10 174.18 3hye n VAL 27 N 2.29 0.13 -3.87 1.40 0.31 0.42 -4.89 118.33 114.12 3hye n VAL 27 Ca 0.02 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 3hye n VAL 27 Cb 0.46 -0.70 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 3hye n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hye s SER 28 N -4.35 -0.01 -0.12 4.52 0.15 -0.16 -5.00 113.70 108.73 3hye s SER 28 Ca -0.03 0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.77 3hye s SER 28 Cb 0.01 0.12 0.41 0.00 -1.71 0.00 0.00 66.02 64.85 3hye s SER 28 CO 0.05 -0.08 1.32 -0.46 1.20 0.00 0.00 173.24 175.27 3hye n ASN 29 N 2.74 3.34 -0.83 5.45 2.04 -1.26 -1.29 115.26 125.45 3hye n ASN 29 Ca -0.15 -2.71 0.05 0.00 -0.44 0.00 0.00 54.58 51.33 3hye n ASN 29 Cb 0.59 -0.42 0.08 0.00 -2.53 0.00 0.00 39.78 37.50 3hye n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3hye n LYS 30 N -0.37 0.61 -2.96 -3.83 5.02 -1.10 -4.74 118.16 110.78 3hye n LYS 30 Ca 0.17 -2.21 -0.44 0.00 -2.02 0.00 0.00 58.31 53.81 3hye n LYS 30 Cb 0.71 -0.76 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 3hye n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3hye s PHE 31 N -1.28 3.12 0.31 2.13 5.36 -0.53 -5.01 117.98 122.07 3hye s PHE 31 Ca 0.27 -1.33 -0.28 0.00 -0.96 0.00 0.00 56.93 54.64 3hye s PHE 31 Cb 0.28 -4.24 -0.09 0.00 -0.34 0.00 0.00 43.02 38.64 3hye s PHE 31 CO -0.08 -1.46 1.07 -1.21 -1.46 0.00 0.00 175.22 172.08 3hye s GLU 32 N 2.64 4.51 -0.01 10.12 2.02 -1.26 -4.37 118.70 132.34 3hye s GLU 32 Ca 0.29 1.69 0.09 0.00 0.02 0.00 0.00 54.97 57.07 3hye s GLU 32 Cb -0.07 -2.99 0.27 0.00 0.10 0.00 0.00 34.13 31.43 3hye s GLU 32 CO -0.07 0.13 1.23 1.63 0.02 0.00 0.00 175.26 178.20 3hye n LYS 33 N 0.82 2.88 -4.79 1.61 5.02 -1.26 -4.97 118.16 117.47 3hye n LYS 33 Ca 0.01 -2.02 -0.33 0.00 -2.02 0.00 0.00 58.31 53.95 3hye n LYS 33 Cb 0.46 -1.26 -0.13 0.00 -0.02 0.00 0.00 35.03 34.08 3hye n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 34 N -1.13 3.20 0.16 -0.18 -1.09 -1.26 -0.12 121.20 120.78 3hye s ILE 34 Ca 0.21 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3hye s ILE 34 Cb 0.12 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3hye s ILE 34 CO 0.13 0.57 0.05 -0.36 -1.23 0.00 0.00 174.94 174.09 3hye s PHE 35 N -0.37 1.05 -0.04 3.97 0.40 0.16 -4.97 117.98 118.18 3hye s PHE 35 Ca 0.04 -1.17 -0.08 0.00 -0.60 0.00 0.00 56.93 55.12 3hye s PHE 35 Cb -0.12 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.83 3hye s PHE 35 CO 0.02 -0.41 0.20 -3.38 0.70 0.00 0.00 175.22 172.36 3hye s HIS 36 N -3.90 -0.13 -0.27 0.36 -3.43 -1.26 0.20 115.29 106.85 3hye s HIS 36 Ca 0.26 0.29 0.01 0.00 -0.80 0.00 0.00 55.06 54.82 3hye s HIS 36 Cb 0.07 0.04 0.08 0.00 -1.43 0.00 0.00 32.58 31.33 3hye s HIS 36 CO 0.04 -0.21 -0.00 0.71 -2.00 0.00 0.00 174.74 173.27 3hye s TYR 38 N -0.61 2.65 0.00 0.38 2.02 0.43 -4.97 117.35 117.25 3hye s TYR 38 Ca -0.07 -2.09 0.00 0.00 -0.37 0.00 0.00 57.07 54.54 3hye s TYR 38 Cb -0.04 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 3hye s TYR 38 CO 0.01 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.56 3hye n GLY 39 N 4.59 2.50 1.25 0.71 0.00 -1.26 -1.70 105.19 111.28 3hye n GLY 39 Ca -0.07 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3hye n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hye n HIS 40 N 13.03 0.72 -3.62 1.61 1.44 -1.26 -4.92 115.22 122.22 3hye n HIS 40 Ca 0.00 -0.37 -0.36 0.00 -2.01 0.00 0.00 57.72 54.99 3hye n HIS 40 Cb 0.00 -0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 3hye n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3hye s VAL 41 N -1.26 5.35 -0.02 0.61 1.01 -0.69 -4.50 120.40 120.91 3hye s VAL 41 Ca 0.43 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.81 3hye s VAL 41 Cb 0.24 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3hye s VAL 41 CO 0.32 0.41 0.00 -0.36 0.00 0.00 0.00 175.10 175.47 3hye s PHE 42 N 0.46 3.10 -0.06 5.22 0.40 0.47 -0.43 117.98 127.13 3hye s PHE 42 Ca 0.13 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 3hye s PHE 42 Cb -0.12 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.74 3hye s PHE 42 CO 0.01 0.46 0.00 -1.17 0.70 0.00 0.00 175.22 175.23 3hye s LEU 43 N -1.41 0.67 -0.08 -0.37 2.96 0.13 -1.07 118.68 119.51 3hye s LEU 43 Ca 0.18 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3hye s LEU 43 Cb -0.11 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 3hye s LEU 43 CO 0.09 -0.18 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.10 3hye s GLY 44 N 1.81 1.83 -0.09 7.98 0.00 0.27 0.38 107.32 119.50 3hye s GLY 44 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3hye s GLY 44 CO -0.04 -0.59 -0.08 -0.42 0.00 0.00 0.00 173.10 171.96 3hye s ILE 45 N -0.87 0.97 0.44 0.90 -1.09 0.84 -0.58 121.20 121.80 3hye s ILE 45 Ca 0.13 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.32 3hye s ILE 45 Cb -0.11 -0.96 -0.00 0.00 -1.58 0.00 0.00 42.46 39.81 3hye s ILE 45 CO 0.02 0.34 0.43 0.42 -1.23 0.00 0.00 174.94 174.93 3hye s THR 46 N 1.28 2.56 0.00 2.92 -4.23 -1.08 -4.79 115.64 112.31 3hye s THR 46 Ca -0.03 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3hye s THR 46 Cb -0.14 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.85 3hye s THR 46 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3hye n GLY 47 N -1.66 -0.07 3.64 3.99 0.00 -1.26 -1.46 105.19 108.38 3hye n GLY 47 Ca 0.04 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3hye n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hye s LEU 48 N 0.00 4.12 0.20 0.99 2.96 -0.08 -4.60 118.68 122.28 3hye s LEU 48 Ca 0.00 2.16 -0.14 0.00 -0.22 0.00 0.00 54.13 55.93 3hye s LEU 48 Cb 0.00 -3.53 0.20 0.00 0.50 0.00 0.00 46.19 43.36 3hye s LEU 48 CO 0.00 -1.19 1.64 0.00 -1.32 0.00 0.00 176.35 175.47 3hye h ALA 49 N 10.93 0.38 -0.81 5.97 0.00 -1.89 -0.39 119.26 133.45 3hye h ALA 49 Ca -0.41 0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hye h ALA 49 Cb 1.20 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 3hye h ALA 49 CO 0.96 -0.43 0.53 0.00 0.00 0.00 0.00 179.25 180.31 3hye h THR 50 N 0.00 0.91 0.00 0.00 1.03 -1.99 0.78 112.91 113.64 3hye h THR 50 Ca 0.28 -0.24 -0.18 0.00 -0.01 0.00 0.00 66.41 66.26 3hye h THR 50 Cb 0.42 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.64 3hye h THR 50 CO -0.59 0.13 -0.84 0.44 -0.01 0.00 0.00 175.52 174.65 3hye h ASP 51 N 0.69 0.11 -0.20 0.00 3.45 -1.49 -1.09 116.42 117.88 3hye h ASP 51 Ca 0.38 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 3hye h ASP 51 Cb 0.54 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 3hye h ASP 51 CO -0.15 0.89 0.08 0.58 -1.57 0.00 0.00 179.24 179.07 3hye h VAL 52 N 0.05 1.16 -0.34 -1.35 2.07 0.29 0.25 116.25 118.37 3hye h VAL 52 Ca -0.02 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hye h VAL 52 Cb 1.46 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3hye h VAL 52 CO 0.12 0.16 0.15 0.74 0.02 0.00 0.00 177.57 178.75 3hye h THR 53 N 0.17 1.17 -0.51 2.57 2.02 -0.90 -2.06 112.91 115.38 3hye h THR 53 Ca 0.07 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3hye h THR 53 Cb 0.17 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3hye h THR 53 CO -0.01 0.19 0.21 0.74 0.37 0.00 0.00 175.52 177.02 3hye h THR 54 N 0.41 1.21 -0.69 3.16 2.02 -1.02 -1.98 112.91 116.02 3hye h THR 54 Ca 0.11 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3hye h THR 54 Cb 0.15 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3hye h THR 54 CO -0.01 0.25 0.20 -0.07 0.37 0.00 0.00 175.52 176.26 3hye h LEU 55 N 0.69 1.00 -0.33 2.58 3.38 -0.39 0.26 115.31 122.50 3hye h LEU 55 Ca 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hye h LEU 55 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hye h LEU 55 CO -0.02 0.94 0.14 -1.13 0.09 0.00 0.00 178.44 178.46 3hye h ASN 56 N 1.03 0.45 -0.47 -0.43 -1.24 -1.20 -0.06 115.58 113.67 3hye h ASN 56 Ca 0.22 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 3hye h ASN 56 Cb 0.31 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3hye h ASN 56 CO -0.01 0.49 0.21 -0.33 -1.29 0.00 0.00 177.43 176.50 3hye h GLU 57 N 0.39 0.73 -0.20 6.67 5.08 -1.01 0.11 114.58 126.36 3hye h GLU 57 Ca 0.11 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3hye h GLU 57 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hye h GLU 57 CO -0.01 0.60 -0.08 1.98 -1.00 0.00 0.00 179.01 180.51 3hye h MET 58 N 0.73 0.40 0.00 2.33 4.05 -0.49 -2.11 114.93 119.85 3hye h MET 58 Ca 0.18 -0.17 -0.10 0.00 -0.28 0.00 0.00 59.70 59.33 3hye h MET 58 Cb 0.14 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 3hye h MET 58 CO -0.02 0.68 -0.48 0.74 0.23 0.00 0.00 176.91 178.06 3hye h PHE 59 N 0.10 0.00 0.02 1.39 0.05 -0.74 0.13 116.94 117.90 3hye h PHE 59 Ca 0.05 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 3hye h PHE 59 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 3hye h PHE 59 CO 0.06 0.48 -0.01 -0.09 -0.18 0.00 0.00 178.31 178.57 3hye h ARG 60 N 0.00 -0.03 -0.29 1.51 2.43 -0.93 0.37 114.38 117.44 3hye h ARG 60 Ca -0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3hye h ARG 60 Cb 0.92 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.41 3hye h ARG 60 CO 0.06 0.19 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.63 3hye h TYR 61 N -0.25 -0.42 -0.40 2.20 5.03 -1.03 -0.64 116.97 121.45 3hye h TYR 61 Ca -0.00 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.19 3hye h TYR 61 Cb 0.24 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 3hye h TYR 61 CO -0.00 -0.24 -0.34 0.87 -1.32 0.00 0.00 178.16 177.12 3hye h LYS 62 N -0.14 0.93 0.00 1.82 1.57 -0.88 -2.74 116.57 117.13 3hye h LYS 62 Ca 0.15 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 3hye h LYS 62 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hye h LYS 62 CO -0.37 1.12 -0.23 1.79 -0.57 0.00 0.00 179.45 181.19 3hye h THR 63 N 0.77 0.58 -0.02 -0.16 1.35 -0.70 -0.62 112.91 114.12 3hye h THR 63 Ca 0.07 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 3hye h THR 63 Cb 0.93 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3hye h THR 63 CO 0.09 0.22 -0.03 0.78 -0.25 0.00 0.00 175.52 176.32 3hye h ASN 64 N 0.00 0.07 -0.30 5.36 2.35 -0.98 -1.98 115.58 120.09 3hye h ASN 64 Ca -0.00 -0.54 -0.04 0.00 -0.55 0.00 0.00 56.30 55.16 3hye h ASN 64 Cb 0.71 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3hye h ASN 64 CO 0.03 0.60 0.06 -0.07 -1.65 0.00 0.00 177.43 176.40 3hye h LEU 65 N -0.46 0.55 -0.01 1.61 3.38 -1.35 -2.08 115.31 116.95 3hye h LEU 65 Ca 0.00 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hye h LEU 65 Cb 0.58 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hye h LEU 65 CO 0.01 0.58 -0.04 0.22 0.09 0.00 0.00 178.44 179.30 3hye h TYR 66 N 0.57 -0.09 -0.88 1.13 5.03 -1.03 -1.95 116.97 119.76 3hye h TYR 66 Ca 0.13 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.47 3hye h TYR 66 Cb 0.27 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.54 3hye h TYR 66 CO 0.01 -0.06 0.57 -0.22 -1.32 0.00 0.00 178.16 177.14 3hye h LYS 67 N -0.06 1.09 -0.45 1.82 3.64 -0.97 0.28 116.57 121.92 3hye h LYS 67 Ca 0.02 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3hye h LYS 67 Cb 0.08 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3hye h LYS 67 CO -0.04 0.72 0.13 -0.07 -2.27 0.00 0.00 179.45 177.92 3hye h LEU 68 N 1.13 0.61 0.05 5.20 3.38 -1.04 0.20 115.31 124.83 3hye h LEU 68 Ca 0.34 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 68 Cb -0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hye h LEU 68 CO -0.10 0.60 -1.59 0.29 0.09 0.00 0.00 178.44 177.72 3hye n LYS 69 N -4.32 0.64 0.20 1.13 5.02 -0.76 -4.25 118.16 115.82 3hye n LYS 69 Ca 0.03 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 56.85 3hye n LYS 69 Cb 0.19 -1.72 0.32 0.00 -0.02 0.00 0.00 35.03 33.80 3hye n LYS 69 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hye h GLU 70 N -0.59 0.00 -4.26 1.97 4.39 -0.52 -3.47 114.58 112.10 3hye h GLU 70 Ca -0.39 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.94 3hye h GLU 70 Cb 1.60 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 30.31 3hye h GLU 70 CO -0.10 0.26 -0.56 0.39 -1.16 0.00 0.00 179.01 177.84 3hye n GLU 71 N -3.31 -4.83 -3.50 2.33 1.02 0.70 -4.98 120.64 108.08 3hye n GLU 71 Ca 0.01 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 57.84 3hye n GLU 71 Cb 0.51 -5.53 -0.04 0.00 -0.02 0.00 0.00 31.44 26.36 3hye n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3hye s ARG 72 N -5.67 1.00 0.39 3.49 1.70 -1.23 -5.06 118.95 113.57 3hye s ARG 72 Ca 0.31 -0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 55.26 3hye s ARG 72 Cb -0.14 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.62 3hye s ARG 72 CO 0.38 -0.38 1.05 0.00 -1.08 0.00 0.00 175.30 175.27 3hye s ALA 73 N -2.24 3.11 0.48 7.88 0.00 -1.26 -4.21 121.76 125.53 3hye s ALA 73 Ca -0.03 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3hye s ALA 73 Cb -0.01 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3hye s ALA 73 CO -0.01 -0.20 1.18 -1.50 0.00 0.00 0.00 175.76 175.23 3hye s ILE 74 N -1.62 3.02 0.37 0.00 2.07 -1.26 -5.04 121.20 118.74 3hye s ILE 74 Ca 0.57 0.75 0.02 0.00 -1.41 0.00 0.00 60.65 60.57 3hye s ILE 74 Cb -0.23 -3.37 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 3hye s ILE 74 CO 0.28 -0.03 0.56 -1.61 -1.91 0.00 0.00 174.94 172.23 3hye s GLU 75 N -2.81 3.28 0.14 3.50 0.41 -1.26 -4.69 118.70 117.27 3hye s GLU 75 Ca 0.66 -0.53 -0.21 0.00 -0.41 0.00 0.00 54.97 54.47 3hye s GLU 75 Cb -0.29 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.40 3hye s GLU 75 CO 0.35 0.01 1.66 -1.35 -0.49 0.00 0.00 175.26 175.44 3hye h PRO 76 N 0.69 -0.17 -0.56 0.39 0.11 -1.94 0.65 132.00 131.18 3hye h PRO 76 Ca -0.48 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 76 Cb 1.24 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3hye h PRO 76 CO 0.59 -0.11 0.34 0.93 -0.21 0.00 0.00 178.00 179.54 3hye h GLU 77 N -0.18 0.66 -0.37 1.05 3.07 -1.97 -1.10 114.58 115.75 3hye h GLU 77 Ca 0.12 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 3hye h GLU 77 Cb 0.35 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3hye h GLU 77 CO -0.30 0.44 -0.22 1.15 -1.40 0.00 0.00 179.01 178.68 3hye h THR 78 N 0.68 1.28 -0.85 1.13 2.02 -1.89 -2.84 112.91 112.45 3hye h THR 78 Ca 0.22 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 3hye h THR 78 Cb 0.00 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3hye h THR 78 CO -0.09 0.45 0.41 0.15 0.37 0.00 0.00 175.52 176.81 3hye h PHE 79 N 0.59 1.23 -0.86 3.16 3.57 -0.71 -1.24 116.94 122.68 3hye h PHE 79 Ca 0.08 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3hye h PHE 79 Cb 0.77 -0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 3hye h PHE 79 CO 0.06 0.89 0.52 1.15 -2.23 0.00 0.00 178.31 178.70 3hye h THR 80 N 1.22 1.00 -0.52 4.41 2.02 -1.08 0.16 112.91 120.13 3hye h THR 80 Ca 0.29 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3hye h THR 80 Cb 0.12 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3hye h THR 80 CO -0.04 0.17 -0.08 1.56 0.37 0.00 0.00 175.52 177.51 3hye h GLN 81 N 0.93 0.93 -0.41 6.66 1.08 -1.11 -1.59 115.11 121.60 3hye h GLN 81 Ca 0.39 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 3hye h GLN 81 Cb 0.23 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3hye h GLN 81 CO -0.20 0.97 -0.02 1.25 -0.95 0.00 0.00 178.83 179.88 3hye h LEU 82 N 0.84 0.64 0.07 1.46 5.85 0.02 -1.62 115.31 122.57 3hye h LEU 82 Ca 0.14 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hye h LEU 82 Cb 0.60 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hye h LEU 82 CO 0.04 0.72 -0.03 0.58 -0.34 0.00 0.00 178.44 179.41 3hye h VAL 83 N 0.63 1.16 -0.23 1.05 2.07 -0.44 -1.55 116.25 118.94 3hye h VAL 83 Ca 0.13 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3hye h VAL 83 Cb 0.43 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3hye h VAL 83 CO 0.02 0.21 -0.14 -1.28 0.02 0.00 0.00 177.57 176.40 3hye h SER 84 N -0.48 -0.45 0.32 0.57 0.87 -1.15 -0.11 113.55 113.12 3hye h SER 84 Ca -0.01 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3hye h SER 84 Cb 0.41 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3hye h SER 84 CO 0.02 -0.17 -0.43 0.77 -0.53 0.00 0.00 176.83 176.49 3hye h SER 85 N -0.12 0.15 -0.37 6.23 4.64 -1.33 -1.52 113.55 121.23 3hye h SER 85 Ca 0.13 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 3hye h SER 85 Cb 0.31 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3hye h SER 85 CO -0.31 0.56 -0.28 0.28 -0.87 0.00 0.00 176.83 176.22 3hye h SER 86 N 0.12 0.93 -0.09 4.97 0.02 -0.66 -2.39 113.55 116.44 3hye h SER 86 Ca 0.01 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 3hye h SER 86 Cb 0.81 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 3hye h SER 86 CO 0.06 1.14 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.73 3hye h LEU 87 N 0.76 0.24 -2.35 5.07 3.38 -0.79 -3.14 115.31 118.48 3hye h LEU 87 Ca 0.09 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hye h LEU 87 Cb 0.84 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hye h LEU 87 CO 0.07 0.66 0.03 0.22 0.09 0.00 0.00 178.44 179.52 3hye h TYR 88 N -0.19 0.00 0.00 1.13 3.20 -1.27 -0.90 116.97 118.95 3hye h TYR 88 Ca 0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hye h TYR 88 Cb 0.60 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3hye h TYR 88 CO 0.09 0.00 -0.00 1.49 -1.64 0.00 0.00 178.16 178.09 3hye h GLU 89 N 0.00 0.00 -0.48 1.82 4.81 -1.37 0.24 114.58 119.59 3hye h GLU 89 Ca 0.01 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 3hye h GLU 89 Cb 0.07 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.27 3hye h GLU 89 CO -0.00 0.00 -0.11 0.54 -0.73 0.00 0.00 179.01 178.72 3hye n ARG 90 N -3.14 2.19 -0.33 1.92 5.12 -0.34 -4.85 116.66 117.24 3hye n ARG 90 Ca -0.02 -3.36 0.26 0.00 -1.93 0.00 0.00 57.85 52.79 3hye n ARG 90 Cb 0.11 -1.94 0.48 0.00 -1.16 0.00 0.00 32.46 29.96 3hye n ARG 90 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3hye h ARG 91 N 1.28 0.05 -0.42 5.56 9.65 -1.01 0.90 114.38 130.39 3hye h ARG 91 Ca 0.29 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3hye h ARG 91 Cb 1.59 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.15 3hye h ARG 91 CO 0.57 0.03 0.00 1.19 2.80 0.00 0.00 179.97 184.56 3hye n PHE 92 N -5.29 1.46 -2.69 2.20 3.01 -1.26 -4.40 117.46 110.48 3hye n PHE 92 Ca 0.33 -0.79 -0.06 0.00 1.01 0.00 0.00 57.45 57.93 3hye n PHE 92 Cb 1.09 -0.39 0.09 0.00 -0.01 0.00 0.00 39.48 40.25 3hye n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hye n GLY 93 N 0.09 -0.15 3.73 1.37 0.00 -0.14 -5.16 105.19 104.92 3hye n GLY 93 Ca 0.24 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 3hye n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hye s PRO 94 N 0.15 1.76 0.09 1.61 0.04 0.13 -4.84 135.00 133.94 3hye s PRO 94 Ca 0.19 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 3hye s PRO 94 Cb 0.28 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 3hye s PRO 94 CO -0.10 -2.05 0.84 0.71 0.04 0.00 0.00 177.00 176.44 3hye s TYR 95 N -2.74 3.79 -1.27 0.56 1.51 -1.26 -4.95 117.35 112.99 3hye s TYR 95 Ca 0.64 1.62 -0.13 0.00 -1.01 0.00 0.00 57.07 58.19 3hye s TYR 95 Cb -0.20 -2.89 0.15 0.00 -0.11 0.00 0.00 41.96 38.90 3hye s TYR 95 CO 0.56 0.29 1.70 1.19 -1.11 0.00 0.00 175.55 178.17 3hye n PHE 96 N 2.59 4.11 -4.23 2.71 3.72 -1.26 -4.75 117.46 120.35 3hye n PHE 96 Ca -0.01 -3.07 -0.13 0.00 -0.05 0.00 0.00 57.45 54.19 3hye n PHE 96 Cb 0.50 -2.19 -0.10 0.00 -0.94 0.00 0.00 39.48 36.74 3hye n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3hye s VAL 97 N 1.61 0.45 -0.47 -4.37 -7.23 -1.26 -0.90 120.40 108.23 3hye s VAL 97 Ca 0.43 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3hye s VAL 97 Cb 0.04 -2.22 0.15 0.00 0.56 0.00 0.00 36.38 34.91 3hye s VAL 97 CO 0.00 -0.36 0.30 -0.83 -0.31 0.00 0.00 175.10 173.91 3hye s GLY 98 N -3.16 1.76 0.57 2.32 0.00 -0.53 -3.59 107.32 104.68 3hye s GLY 98 Ca 0.27 -2.74 -0.17 0.00 0.00 0.00 0.00 44.72 42.08 3hye s GLY 98 CO 0.06 1.60 1.06 -4.14 0.00 0.00 0.00 173.10 171.68 3hye s PRO 99 N 0.03 3.40 -0.05 2.90 0.02 -1.26 -2.63 135.00 137.41 3hye s PRO 99 Ca 0.22 1.30 -0.02 0.00 0.02 0.00 0.00 61.00 62.52 3hye s PRO 99 Cb -0.16 -2.04 0.04 0.00 0.02 0.00 0.00 34.50 32.36 3hye s PRO 99 CO -0.06 -0.76 0.10 0.08 -0.33 0.00 0.00 177.00 176.03 3hye s VAL 100 N -2.25 -0.13 -0.10 3.83 1.01 0.26 -2.21 120.40 120.80 3hye s VAL 100 Ca 0.66 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3hye s VAL 100 Cb -0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3hye s VAL 100 CO 0.32 0.13 -0.01 -0.69 0.00 0.00 0.00 175.10 174.85 3hye s VAL 101 N 1.71 4.21 -0.04 2.92 1.01 0.12 -0.56 120.40 129.77 3hye s VAL 101 Ca -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3hye s VAL 101 Cb -0.12 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3hye s VAL 101 CO -0.04 0.58 0.16 0.00 0.00 0.00 0.00 175.10 175.79 3hye s ALA 102 N -0.62 -0.38 0.00 5.51 0.00 -0.23 -0.66 121.76 125.38 3hye s ALA 102 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3hye s ALA 102 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3hye s ALA 102 CO 0.02 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hye n GLY 103 N 2.57 0.04 3.28 0.00 0.00 -0.30 -0.40 105.19 110.39 3hye n GLY 103 Ca -0.15 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3hye n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 104 N -2.00 2.32 -0.01 -0.61 1.01 -1.26 -0.23 121.20 120.42 3hye s ILE 104 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3hye s ILE 104 Cb 0.00 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 3hye s ILE 104 CO 0.00 0.56 1.71 0.21 0.00 0.00 0.00 174.94 177.42 3hye s ASN 105 N 0.15 6.61 0.64 3.58 3.84 -0.79 -4.83 114.94 124.15 3hye s ASN 105 Ca -0.12 2.37 0.42 0.00 0.21 0.00 0.00 52.86 55.75 3hye s ASN 105 Cb -0.16 -2.54 2.22 0.00 -0.55 0.00 0.00 41.25 40.22 3hye s ASN 105 CO 0.06 -0.94 2.30 0.77 -2.79 0.00 0.00 177.10 176.51 3hye h SER 10 N 9.48 0.00 0.00 -4.21 4.64 -1.96 0.53 113.55 122.03 3hye h SER 10 Ca -0.42 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.59 3hye h SER 10 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 3hye h SER 10 CO 0.95 0.00 -2.18 1.17 -0.87 0.00 0.00 176.83 175.90 3hye n LYS 10 N -3.13 1.09 -0.00 4.77 4.81 -1.26 -4.56 118.16 119.88 3hye n LYS 10 Ca -0.02 0.02 0.10 0.00 -0.87 0.00 0.00 58.31 57.53 3hye n LYS 10 Cb 0.11 -1.44 -0.13 0.00 0.02 0.00 0.00 35.03 33.59 3hye n LYS 10 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hye n SER 10 N -2.73 0.66 0.00 3.14 3.41 -1.16 -4.96 113.62 111.98 3hye n SER 10 Ca -0.30 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 3hye n SER 10 Cb 1.03 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 66.38 3hye n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 106 N 1.41 0.35 3.70 5.00 0.00 0.18 -4.95 105.19 110.88 3hye n GLY 106 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hye n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hye s LYS 107 N -0.71 4.37 0.44 1.61 2.20 -1.26 -4.67 119.74 121.72 3hye s LYS 107 Ca 0.00 1.76 -0.24 0.00 -0.36 0.00 0.00 55.97 57.12 3hye s LYS 107 Cb 0.00 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 3hye s LYS 107 CO 0.00 -0.39 1.23 -2.14 -0.36 0.00 0.00 175.35 173.69 3hye s PRO 108 N 1.77 3.82 -0.08 4.03 0.02 -1.26 -1.88 135.00 141.41 3hye s PRO 108 Ca 0.58 1.95 -0.05 0.00 0.02 0.00 0.00 61.00 63.50 3hye s PRO 108 Cb -0.28 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 31.72 3hye s PRO 108 CO 0.26 -0.55 0.20 0.12 -0.33 0.00 0.00 177.00 176.69 3hye s PHE 109 N -1.40 -0.24 0.04 6.54 5.36 0.68 -4.94 117.98 124.02 3hye s PHE 109 Ca 0.61 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 3hye s PHE 109 Cb -0.33 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.34 3hye s PHE 109 CO 0.41 -0.16 -0.04 0.96 -1.46 0.00 0.00 175.22 174.92 3hye s ILE 110 N 0.81 0.29 -0.09 3.12 -4.36 -1.26 -1.15 121.20 118.57 3hye s ILE 110 Ca -0.06 -1.31 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 3hye s ILE 110 Cb -0.07 -0.85 0.08 0.00 1.25 0.00 0.00 42.46 42.87 3hye s ILE 110 CO -0.05 -0.66 0.76 0.00 0.24 0.00 0.00 174.94 175.23 3hye s ALA 111 N -2.39 -1.81 0.30 2.27 0.00 0.16 -4.08 121.76 116.22 3hye s ALA 111 Ca -0.05 1.43 0.09 0.00 0.00 0.00 0.00 51.96 53.43 3hye s ALA 111 Cb -0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 3hye s ALA 111 CO -0.04 -0.35 -0.12 0.20 0.00 0.00 0.00 175.76 175.45 3hye s GLY 112 N -1.06 1.97 0.04 0.00 0.00 0.73 0.15 107.32 109.17 3hye s GLY 112 Ca -0.08 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.65 3hye s GLY 112 CO 0.07 -1.95 0.03 -1.36 0.00 0.00 0.00 173.10 169.89 3hye s PHE 113 N -2.71 0.32 0.60 1.90 0.08 -0.94 -0.23 117.98 117.00 3hye s PHE 113 Ca 0.30 -0.70 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3hye s PHE 113 Cb 0.01 -0.23 0.08 0.00 -0.57 0.00 0.00 43.02 42.30 3hye s PHE 113 CO 0.14 -0.34 0.83 0.16 -0.10 0.00 0.00 175.22 175.91 3hye s ASP 114 N -2.28 4.95 0.43 1.36 3.84 -0.97 -4.02 116.67 119.98 3hye s ASP 114 Ca -0.03 -0.37 0.28 0.00 -0.00 0.00 0.00 52.55 52.44 3hye s ASP 114 Cb 0.00 -0.29 1.55 0.00 -1.38 0.00 0.00 42.92 42.81 3hye s ASP 114 CO -0.06 -1.39 1.87 0.17 -0.00 0.00 0.00 175.17 175.76 3hye h LEU 115 N -0.05 0.00 -3.29 2.11 -0.00 -1.85 -1.78 115.31 110.45 3hye h LEU 115 Ca -0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.50 3hye h LEU 115 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 3hye h LEU 115 CO 0.44 0.00 0.00 2.30 -0.00 0.00 0.00 178.44 181.19 3hye n ILE 116 N -2.51 2.34 0.00 0.15 -5.35 -1.26 -4.32 119.36 108.40 3hye n ILE 116 Ca -0.02 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.58 3hye n ILE 116 Cb 0.06 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 3hye n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hye n GLY 117 N -0.46 0.47 3.68 3.28 0.00 -0.67 -3.29 105.19 108.21 3hye n GLY 117 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.77 3hye n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ILE 119 N 3.21 4.75 -0.26 0.00 1.01 -1.26 -2.30 121.20 126.35 3hye s ILE 119 Ca 0.89 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.93 3hye s ILE 119 Cb -0.69 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 37.87 3hye s ILE 119 CO 0.48 0.46 -0.05 -0.62 0.00 0.00 0.00 174.94 175.21 3hye s ASP 120 N -0.57 4.17 -0.85 3.58 3.68 0.68 -4.98 116.67 122.38 3hye s ASP 120 Ca 0.32 -1.40 -0.06 0.00 2.13 0.00 0.00 52.55 53.55 3hye s ASP 120 Cb -0.20 -1.34 0.22 0.00 -1.45 0.00 0.00 42.92 40.15 3hye s ASP 120 CO 0.20 -0.25 0.75 -0.70 0.13 0.00 0.00 175.17 175.30 3hye s GLU 121 N 1.25 3.34 0.51 4.34 2.12 -1.26 -0.19 118.70 128.81 3hye s GLU 121 Ca -0.04 -2.92 -0.15 0.00 0.36 0.00 0.00 54.97 52.23 3hye s GLU 121 Cb -0.19 -4.11 -0.07 0.00 0.26 0.00 0.00 34.13 30.02 3hye s GLU 121 CO -0.07 -1.24 0.96 0.00 -0.54 0.00 0.00 175.26 174.36 3hye s ALA 122 N -0.71 3.11 -0.13 6.30 0.00 -1.26 -4.98 121.76 124.09 3hye s ALA 122 Ca 0.23 0.09 0.20 0.00 0.00 0.00 0.00 51.96 52.48 3hye s ALA 122 Cb -0.12 -3.05 -0.18 0.00 0.00 0.00 0.00 23.12 19.77 3hye s ALA 122 CO -0.09 -0.25 0.66 0.36 0.00 0.00 0.00 175.76 176.44 3hye n LYS 12 N -1.67 0.64 0.00 0.00 2.85 -1.26 -4.52 118.16 114.19 3hye n LYS 12 Ca 0.06 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3hye n LYS 12 Cb 0.54 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 3hye n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3hye n ASP 123 N -2.63 0.00 -4.07 -5.58 5.68 -1.26 -4.51 116.55 104.17 3hye n ASP 123 Ca -0.09 0.04 -0.10 0.00 -0.50 0.00 0.00 54.79 54.13 3hye n ASP 123 Cb 0.74 -0.32 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 3hye n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3hye s PHE 124 N -0.64 0.69 -0.08 2.11 -0.12 -1.26 -1.20 117.98 117.48 3hye s PHE 124 Ca 0.00 -1.03 -0.04 0.00 -0.05 0.00 0.00 56.93 55.81 3hye s PHE 124 Cb 0.00 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.16 3hye s PHE 124 CO 0.00 -0.67 0.18 0.42 -0.05 0.00 0.00 175.22 175.10 3hye s ILE 125 N -4.04 -0.03 0.19 -4.49 1.01 -0.30 -4.75 121.20 108.80 3hye s ILE 125 Ca 0.24 0.11 0.11 0.00 0.00 0.00 0.00 60.65 61.11 3hye s ILE 125 Cb 0.05 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3hye s ILE 125 CO 0.04 0.05 -0.23 0.68 0.00 0.00 0.00 174.94 175.48 3hye s VAL 126 N 0.83 2.27 -0.13 2.92 -7.23 -1.26 -1.23 120.40 116.57 3hye s VAL 126 Ca -0.06 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 57.79 3hye s VAL 126 Cb -0.08 -2.08 0.07 0.00 0.56 0.00 0.00 36.38 34.85 3hye s VAL 126 CO -0.05 -0.16 0.70 -0.55 -0.31 0.00 0.00 175.10 174.73 3hye s SER 127 N -2.71 -0.68 0.00 4.85 0.15 -0.61 -5.00 113.70 109.69 3hye s SER 127 Ca 0.20 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.82 3hye s SER 127 Cb -0.07 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 3hye s SER 127 CO 0.10 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.67 3hye n GLY 128 N 1.54 0.74 0.00 9.45 0.00 -1.26 -1.32 105.19 114.34 3hye n GLY 128 Ca -0.17 -2.32 0.07 0.00 0.00 0.00 0.00 46.02 43.59 3hye n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hye n THR 129 N -0.78 0.83 -1.71 2.61 -2.24 -0.60 -2.12 114.28 110.27 3hye n THR 129 Ca 0.00 0.21 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 3hye n THR 129 Cb 0.00 -0.97 0.16 0.00 -2.10 0.00 0.00 70.33 67.42 3hye n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hye n ALA 130 N -1.39 3.26 0.07 6.98 0.00 -1.26 -4.81 120.51 123.36 3hye n ALA 130 Ca 0.05 -3.02 0.03 0.00 0.00 0.00 0.00 53.44 50.51 3hye n ALA 130 Cb 0.14 -0.42 0.42 0.00 0.00 0.00 0.00 19.45 19.58 3hye n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hye h SER 131 N 0.87 0.33 -0.09 0.00 4.64 -1.69 0.28 113.55 117.89 3hye h SER 131 Ca -0.04 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3hye h SER 131 Cb 1.17 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hye h SER 131 CO 0.02 0.35 0.03 0.44 -0.87 0.00 0.00 176.83 176.80 3hye h ASP 132 N 0.36 0.13 -0.53 4.97 3.45 -1.87 0.25 116.42 123.18 3hye h ASP 132 Ca 0.09 -0.20 0.01 0.00 0.43 0.00 0.00 57.03 57.37 3hye h ASP 132 Cb 0.16 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3hye h ASP 132 CO -0.00 0.29 0.34 1.56 -1.57 0.00 0.00 179.24 179.85 3hye h GLN 133 N -0.04 0.66 -0.96 3.56 7.50 -1.81 -1.76 115.11 122.27 3hye h GLN 133 Ca 0.03 -0.04 0.03 0.00 0.50 0.00 0.00 58.65 59.17 3hye h GLN 133 Cb 0.21 -0.15 -0.06 0.00 0.05 0.00 0.00 27.48 27.53 3hye h GLN 133 CO -0.00 0.44 0.62 -0.07 -1.50 0.00 0.00 178.83 178.32 3hye h LEU 134 N 0.68 1.05 -1.07 1.46 3.38 -0.69 0.15 115.31 120.26 3hye h LEU 134 Ca 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3hye h LEU 134 Cb -0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3hye h LEU 134 CO -0.06 0.72 0.41 -0.26 0.09 0.00 0.00 178.44 179.33 3hye h PHE 135 N 1.22 1.04 -0.08 1.13 0.04 -0.45 0.11 116.94 119.95 3hye h PHE 135 Ca 0.38 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.11 3hye h PHE 135 Cb -0.01 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.80 3hye h PHE 135 CO -0.01 0.73 0.01 0.78 -0.60 0.00 0.00 178.31 179.22 3hye h GLY 136 N 1.10 0.14 1.00 -1.45 0.00 -0.29 -1.14 103.07 102.44 3hye h GLY 136 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3hye h GLY 136 CO -0.04 0.09 -0.22 -0.33 0.00 0.00 0.00 176.54 176.04 3hye h MET 137 N -0.11 -0.60 -0.09 4.80 2.86 -0.69 -3.03 114.93 118.07 3hye h MET 137 Ca 0.02 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3hye h MET 137 Cb 0.28 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3hye h MET 137 CO 0.00 -0.39 -0.05 0.00 1.06 0.00 0.00 176.91 177.53 3hye h GLU 139 N -0.05 0.00 0.00 0.00 4.57 -1.23 -1.22 114.58 116.65 3hye h GLU 139 Ca 0.06 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.02 3hye h GLU 139 Cb 0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3hye h GLU 139 CO -0.13 0.00 -1.40 0.43 -1.18 0.00 0.00 179.01 176.73 3hye n SER 140 N -4.30 1.88 -0.08 1.04 7.64 -0.94 -4.57 113.62 114.29 3hye n SER 140 Ca 0.06 0.44 -0.04 0.00 1.01 0.00 0.00 58.87 60.34 3hye n SER 140 Cb 0.45 -0.89 0.19 0.00 -1.01 0.00 0.00 64.21 62.94 3hye n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3hye h LEU 141 N -1.00 0.69 -9.97 -3.43 3.38 -0.69 -3.46 115.31 100.83 3hye h LEU 141 Ca -0.33 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 56.95 3hye h LEU 141 Cb 1.19 -0.18 0.08 0.00 0.09 0.00 0.00 40.66 41.84 3hye h LEU 141 CO -0.20 0.77 0.56 -0.47 0.09 0.00 0.00 178.44 179.19 3hye s TYR 142 N -4.94 2.82 -0.03 1.13 5.04 -0.47 -5.05 117.35 115.86 3hye s TYR 142 Ca -0.09 1.46 -0.19 0.00 -2.44 0.00 0.00 57.07 55.82 3hye s TYR 142 Cb 0.15 -3.57 0.04 0.00 0.35 0.00 0.00 41.96 38.93 3hye s TYR 142 CO 0.80 -1.89 0.41 -1.83 -1.34 0.00 0.00 175.55 171.70 3hye s GLU 143 N -2.42 0.76 0.99 4.97 -1.05 -1.26 -4.98 118.70 115.71 3hye s GLU 143 Ca 0.60 -0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 55.29 3hye s GLU 143 Cb -0.35 0.34 0.19 0.00 -0.44 0.00 0.00 34.13 33.87 3hye s GLU 143 CO 0.44 -0.21 1.09 -2.14 0.95 0.00 0.00 175.26 175.38 3hye s PRO 144 N -1.18 0.42 -1.78 -4.83 0.02 -1.26 -4.26 135.00 122.14 3hye s PRO 144 Ca -0.12 1.06 -0.18 0.00 0.02 0.00 0.00 61.00 61.78 3hye s PRO 144 Cb -0.04 -1.69 0.18 0.00 0.02 0.00 0.00 34.50 32.97 3hye s PRO 144 CO 0.05 -2.88 0.55 0.09 -0.33 0.00 0.00 177.00 174.48 3hye n ASN 145 N -4.36 -1.71 -4.78 2.53 4.13 -1.26 -4.94 115.26 104.87 3hye n ASN 145 Ca 0.07 -1.19 -0.36 0.00 1.68 0.00 0.00 54.58 54.78 3hye n ASN 145 Cb 0.54 -1.92 -0.04 0.00 -1.54 0.00 0.00 39.78 36.82 3hye n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hye s LEU 146 N -7.26 4.12 0.56 3.41 1.43 -1.26 -4.17 118.68 115.50 3hye s LEU 146 Ca 0.66 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.67 3hye s LEU 146 Cb -0.38 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 3hye s LEU 146 CO 1.00 -0.54 1.02 -1.61 0.23 0.00 0.00 176.35 176.45 3hye s GLU 147 N -2.53 3.65 0.29 1.70 0.41 -1.26 0.01 118.70 120.97 3hye s GLU 147 Ca 0.58 1.02 -0.05 0.00 -0.41 0.00 0.00 54.97 56.12 3hye s GLU 147 Cb -0.23 -2.09 0.56 0.00 -1.78 0.00 0.00 34.13 30.60 3hye s GLU 147 CO 0.28 -0.52 1.57 -1.35 -0.49 0.00 0.00 175.26 174.75 3hye h PRO 148 N 0.56 0.00 -0.11 0.39 0.11 -1.95 0.37 132.00 131.37 3hye h PRO 148 Ca -0.46 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3hye h PRO 148 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3hye h PRO 148 CO 0.60 0.00 -0.29 0.93 -0.21 0.00 0.00 178.00 179.03 3hye h GLU 149 N 0.00 0.21 0.09 1.05 3.07 -2.00 -1.67 114.58 115.34 3hye h GLU 149 Ca 0.52 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 59.18 3hye h GLU 149 Cb 0.90 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3hye h GLU 149 CO -0.97 0.49 -0.53 -0.44 -1.40 0.00 0.00 179.01 176.16 3hye h ASP 150 N 0.19 0.32 -0.68 1.42 3.45 -1.05 -3.22 116.42 116.84 3hye h ASP 150 Ca 0.03 -0.96 0.07 0.00 0.43 0.00 0.00 57.03 56.60 3hye h ASP 150 Cb 0.62 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.25 3hye h ASP 150 CO 0.05 1.25 0.45 0.25 -1.57 0.00 0.00 179.24 179.66 3hye h LEU 151 N -0.56 0.59 -0.41 1.55 5.85 -0.37 -1.14 115.31 120.81 3hye h LEU 151 Ca -0.09 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hye h LEU 151 Cb 1.41 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 3hye h LEU 151 CO 0.10 0.38 0.20 0.15 -0.34 0.00 0.00 178.44 178.93 3hye h PHE 152 N 0.67 0.37 -0.52 1.25 3.57 -1.35 0.73 116.94 121.66 3hye h PHE 152 Ca 0.30 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3hye h PHE 152 Cb 0.31 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3hye h PHE 152 CO -0.00 0.19 0.24 0.93 -2.23 0.00 0.00 178.31 177.44 3hye h GLU 153 N 0.41 0.75 0.44 1.11 4.39 -1.24 -1.95 114.58 118.49 3hye h GLU 153 Ca 0.18 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3hye h GLU 153 Cb 0.09 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3hye h GLU 153 CO -0.13 0.63 -0.21 1.15 -1.16 0.00 0.00 179.01 179.29 3hye h THR 154 N 0.69 0.53 -0.97 1.13 2.02 -0.97 -1.55 112.91 113.80 3hye h THR 154 Ca 0.18 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.10 3hye h THR 154 Cb 0.14 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 3hye h THR 154 CO -0.02 0.06 0.61 -0.29 0.37 0.00 0.00 175.52 176.25 3hye h ILE 155 N -0.80 1.02 -0.45 3.11 6.09 -0.90 -0.97 117.51 124.61 3hye h ILE 155 Ca -0.06 -0.37 -0.05 0.00 -1.37 0.00 0.00 64.86 63.02 3hye h ILE 155 Cb 0.55 -0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.68 3hye h ILE 155 CO 0.10 0.19 0.09 0.28 -3.07 0.00 0.00 178.15 175.75 3hye h SER 156 N 1.07 0.70 0.27 2.19 0.02 -1.27 -1.08 113.55 115.45 3hye h SER 156 Ca 0.44 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3hye h SER 156 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3hye h SER 156 CO -0.21 0.77 -0.40 1.56 -1.14 0.00 0.00 176.83 177.41 3hye h GLN 157 N 0.60 0.19 0.04 3.45 1.08 -0.83 -0.13 115.11 119.51 3hye h GLN 157 Ca 0.14 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hye h GLN 157 Cb 0.35 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3hye h GLN 157 CO 0.01 0.56 -0.02 0.00 -0.95 0.00 0.00 178.83 178.43 3hye h ALA 158 N 1.43 -0.06 0.80 3.87 0.00 -0.94 -2.56 119.26 121.81 3hye h ALA 158 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hye h ALA 158 Cb 0.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hye h ALA 158 CO 0.06 -0.35 -0.42 1.25 0.00 0.00 0.00 179.25 179.79 3hye h LEU 159 N -0.42 -1.02 -0.57 0.00 5.85 -1.05 -2.80 115.31 115.30 3hye h LEU 159 Ca -0.01 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3hye h LEU 159 Cb 0.39 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 3hye h LEU 159 CO 0.01 -0.69 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.28 3hye h LEU 160 N -1.12 -0.39 -0.57 2.25 4.07 -1.12 -0.95 115.31 117.47 3hye h LEU 160 Ca -0.11 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3hye h LEU 160 Cb 0.87 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3hye h LEU 160 CO 0.16 -0.15 0.00 0.78 -1.08 0.00 0.00 178.44 178.15 3hye h ASN 161 N 0.05 0.00 0.15 -0.43 2.35 -1.52 -2.65 115.58 113.54 3hye h ASN 161 Ca 0.28 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.82 3hye h ASN 161 Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.84 3hye h ASN 161 CO -0.54 0.00 -0.94 0.00 -1.65 0.00 0.00 177.43 174.30 3hye h ALA 162 N 2.04 -0.09 0.00 -0.83 0.00 -1.14 -3.29 119.26 115.95 3hye h ALA 162 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3hye h ALA 162 Cb 0.78 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hye h ALA 162 CO 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.59 3hye h ALA 163 N 0.12 1.72 -0.00 0.00 0.00 -1.12 -1.84 119.26 118.15 3hye h ALA 163 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hye h ALA 163 Cb 1.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hye h ALA 163 CO 0.18 0.12 -0.02 -0.25 0.00 0.00 0.00 179.25 179.28 3hye n ASP 164 N -4.25 0.05 -0.77 0.00 10.43 -1.01 -2.40 116.55 118.60 3hye n ASP 164 Ca -0.03 -0.07 0.07 0.00 2.57 0.00 0.00 54.79 57.33 3hye n ASP 164 Cb 0.18 -0.29 0.18 0.00 1.84 0.00 0.00 41.12 43.02 3hye n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hye n ARG 165 N -1.30 2.68 -4.01 -1.24 5.12 -0.70 -4.90 116.66 112.30 3hye n ARG 165 Ca 0.13 -2.11 -0.30 0.00 -1.93 0.00 0.00 57.85 53.64 3hye n ARG 165 Cb 0.26 -1.33 -0.16 0.00 -1.16 0.00 0.00 32.46 30.07 3hye n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3hye s ASP 166 N -1.01 2.68 0.39 0.55 3.68 -1.01 -5.01 116.67 116.94 3hye s ASP 166 Ca 0.28 -0.49 0.06 0.00 2.13 0.00 0.00 52.55 54.53 3hye s ASP 166 Cb 0.15 -1.16 0.81 0.00 -1.45 0.00 0.00 42.92 41.26 3hye s ASP 166 CO 0.19 -0.06 2.04 0.00 0.13 0.00 0.00 175.17 177.47 3hye h ALA 167 N 8.06 1.69 -0.35 3.66 0.00 -1.91 -2.82 119.26 127.59 3hye h ALA 167 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hye h ALA 167 Cb 1.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hye h ALA 167 CO 0.52 0.28 0.00 1.28 0.00 0.00 0.00 179.25 181.33 3hye n LEU 168 N -4.47 2.51 -4.45 0.00 4.77 -1.26 -4.93 117.00 109.17 3hye n LEU 168 Ca 0.05 -1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 54.65 3hye n LEU 168 Cb 0.08 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3hye n LEU 168 CO 0.35 0.57 -0.48 -0.44 -1.33 0.00 0.00 177.39 176.06 3hye s SER 169 N -1.34 3.48 0.00 -1.43 0.01 -1.07 -2.83 113.70 110.52 3hye s SER 169 Ca 0.34 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.59 3hye s SER 169 Cb 0.19 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3hye s SER 169 CO 0.26 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.55 3hye n GLY 170 N -0.52 0.06 2.94 3.44 0.00 -1.26 -4.77 105.19 105.07 3hye n GLY 170 Ca -0.06 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 3hye n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hye n TRP 171 N 0.00 -1.72 0.00 1.61 7.02 -1.26 -2.38 117.44 120.71 3hye n TRP 171 Ca 0.00 0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 3hye n TRP 171 Cb 0.00 -3.87 0.00 0.00 -2.42 0.00 0.00 31.31 25.02 3hye n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hye n GLY 172 N -1.28 3.22 3.41 6.99 0.00 -1.26 -4.46 105.19 111.80 3hye n GLY 172 Ca -0.12 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 3hye n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 173 N -2.98 -1.39 -0.02 4.61 0.00 -1.26 -1.39 121.76 119.34 3hye s ALA 173 Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 3hye s ALA 173 Cb 0.00 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3hye s ALA 173 CO 0.00 -0.46 0.04 0.54 0.00 0.00 0.00 175.76 175.88 3hye s VAL 174 N -2.07 -0.02 -0.02 0.00 0.11 -0.14 -1.33 120.40 116.92 3hye s VAL 174 Ca -0.07 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 3hye s VAL 174 Cb -0.01 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.75 3hye s VAL 174 CO 0.01 0.04 -0.26 -0.69 -3.33 0.00 0.00 175.10 170.87 3hye s VAL 175 N 0.45 2.09 -0.22 2.04 1.01 0.66 -1.52 120.40 124.91 3hye s VAL 175 Ca -0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 3hye s VAL 175 Cb -0.05 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3hye s VAL 175 CO -0.01 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 3hye s TYR 176 N -0.59 2.97 -0.27 5.22 2.02 -0.12 -0.54 117.35 126.04 3hye s TYR 176 Ca 0.09 -1.42 -0.10 0.00 -0.37 0.00 0.00 57.07 55.27 3hye s TYR 176 Cb -0.10 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 3hye s TYR 176 CO -0.01 -0.70 0.16 0.42 -1.57 0.00 0.00 175.55 173.85 3hye s ILE 177 N 1.36 5.09 -0.10 2.71 -1.09 -0.07 -1.73 121.20 127.36 3hye s ILE 177 Ca 0.03 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 3hye s ILE 177 Cb -0.15 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3hye s ILE 177 CO -0.06 0.28 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.10 3hye s ILE 178 N 1.63 2.47 0.19 2.92 1.01 0.98 -1.56 121.20 128.83 3hye s ILE 178 Ca 0.07 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3hye s ILE 178 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3hye s ILE 178 CO 0.09 0.55 -0.06 -0.54 0.00 0.00 0.00 174.94 174.98 3hye s LYS 179 N 0.17 1.22 0.35 2.79 1.02 -0.26 -1.60 119.74 123.44 3hye s LYS 179 Ca -0.11 -1.57 0.14 0.00 0.02 0.00 0.00 55.97 54.44 3hye s LYS 179 Cb -0.16 -0.68 1.01 0.00 -0.52 0.00 0.00 37.83 37.48 3hye s LYS 179 CO 0.06 0.01 1.72 0.87 -0.92 0.00 0.00 175.35 177.09 3hye h LYS 181 N 2.61 0.45 0.00 1.68 1.79 -1.95 -3.20 116.57 117.95 3hye h LYS 181 Ca -0.38 -0.03 -0.42 0.00 -2.18 0.00 0.00 60.65 57.65 3hye h LYS 181 Cb 1.21 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 3hye h LYS 181 CO 0.64 0.30 -2.50 -0.40 -1.08 0.00 0.00 179.45 176.40 3hye n ASP 182 N -4.83 1.97 -4.30 0.86 5.75 -1.26 -5.05 116.55 109.69 3hye n ASP 182 Ca 0.28 0.03 -0.16 0.00 -0.01 0.00 0.00 54.79 54.92 3hye n ASP 182 Cb 0.86 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 3hye n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3hye s GLU 183 N -2.52 1.19 -0.07 0.11 -1.05 -1.21 -5.14 118.70 110.02 3hye s GLU 183 Ca -0.36 -1.51 -0.01 0.00 -0.15 0.00 0.00 54.97 52.93 3hye s GLU 183 Cb 0.11 -0.88 0.03 0.00 -0.44 0.00 0.00 34.13 32.95 3hye s GLU 183 CO 0.56 0.13 -0.01 0.08 0.95 0.00 0.00 175.26 176.97 3hye s VAL 184 N -3.12 0.47 -0.07 1.83 1.01 -1.26 -1.11 120.40 118.15 3hye s VAL 184 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3hye s VAL 184 Cb 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3hye s VAL 184 CO 0.04 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.66 3hye s VAL 185 N 1.76 3.87 -0.18 2.92 1.01 -0.60 -4.97 120.40 124.20 3hye s VAL 185 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3hye s VAL 185 Cb -0.13 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3hye s VAL 185 CO -0.05 0.60 -0.18 -0.75 0.00 0.00 0.00 175.10 174.73 3hye s LYS 186 N -0.80 3.06 -0.09 2.72 2.20 -1.26 -0.89 119.74 124.67 3hye s LYS 186 Ca 0.12 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.97 3hye s LYS 186 Cb -0.11 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 3hye s LYS 186 CO 0.02 -0.18 -0.22 1.03 -0.36 0.00 0.00 175.35 175.64 3hye s ARG 187 N 1.26 2.78 -0.02 4.03 0.52 0.30 -4.95 118.95 122.86 3hye s ARG 187 Ca 0.04 -0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 3hye s ARG 187 Cb -0.13 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 3hye s ARG 187 CO -0.10 0.15 0.57 0.71 0.02 0.00 0.00 175.30 176.66 3hye s TYR 188 N 0.39 3.66 0.35 -0.53 1.51 -1.26 -0.25 117.35 121.22 3hye s TYR 188 Ca -0.18 1.15 0.03 0.00 -1.01 0.00 0.00 57.07 57.06 3hye s TYR 188 Cb -0.17 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 3hye s TYR 188 CO 0.08 0.33 0.53 -0.51 -1.11 0.00 0.00 175.55 174.87 3hye s LEU 189 N -0.08 3.96 -0.24 -1.29 1.43 -0.44 -4.99 118.68 117.03 3hye s LEU 189 Ca 0.30 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.50 3hye s LEU 189 Cb -0.18 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3hye s LEU 189 CO 0.16 -0.41 0.04 -0.75 0.23 0.00 0.00 176.35 175.63 3hye s LYS 190 N -4.28 3.61 0.26 1.70 2.20 -1.26 -4.32 119.74 117.65 3hye s LYS 190 Ca 0.43 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3hye s LYS 190 Cb -0.10 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3hye s LYS 190 CO 0.34 -0.15 0.29 0.00 -0.36 0.00 0.00 175.35 175.47 3hye s MET 191 N 1.47 1.50 0.83 4.03 0.23 -1.26 -5.08 119.30 121.02 3hye s MET 191 Ca 0.05 -1.65 -0.14 0.00 -1.03 0.00 0.00 55.69 52.93 3hye s MET 191 Cb -0.15 0.35 0.04 0.00 -1.53 0.00 0.00 34.83 33.55 3hye s MET 191 CO 0.02 -0.56 0.83 0.54 -2.03 0.00 0.00 175.02 173.82 3hye n ARG 192 N -0.41 0.05 -0.94 3.16 1.74 -1.26 -4.85 116.66 114.15 3hye n ARG 192 Ca 0.02 0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 3hye n ARG 192 Cb 0.64 -2.14 0.16 0.00 -1.02 0.00 0.00 32.46 30.10 3hye n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hye n GLN 193 N -2.30 2.04 0.00 5.56 1.13 -1.26 -4.18 117.38 118.37 3hye n GLN 193 Ca 0.11 -3.50 0.00 0.00 -1.94 0.00 0.00 57.00 51.67 3hye n GLN 193 Cb 0.51 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.10 3hye n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22