#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 6.44 0.59 6.43 3.68 -1.26 -4.90 116.67 127.65 3hye s ASP -7 Ca 0.00 -0.02 0.29 0.00 2.13 0.00 0.00 52.55 54.95 3hye s ASP -7 Cb 0.00 -2.48 1.40 0.00 -1.45 0.00 0.00 42.92 40.39 3hye s ASP -7 CO 0.00 -1.23 1.80 -0.65 0.13 0.00 0.00 175.17 175.22 3hye h PRO -6 N 9.28 0.00 -0.01 4.34 0.11 -2.02 0.11 132.00 143.80 3hye h PRO -6 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 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 1.09 0.00 -0.03 0.43 -0.21 0.00 0.00 178.00 179.28 3hye n SER -5 N -3.65 1.08 -0.37 -2.05 7.64 -1.26 -3.65 113.62 111.36 3hye n SER -5 Ca 0.11 -1.27 0.07 0.00 1.01 0.00 0.00 58.87 58.80 3hye n SER -5 Cb 0.83 0.01 0.15 0.00 -1.01 0.00 0.00 64.21 64.19 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 -0.22 1.87 -0.11 6.43 7.64 0.36 -4.62 113.62 124.97 3hye n SER -4 Ca 0.19 -3.25 -0.20 0.00 1.01 0.00 0.00 58.87 56.62 3hye n SER -4 Cb 0.30 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.11 1.51 0.06 0.44 5.41 -1.23 -4.62 119.36 119.82 3hye n ILE -3 Ca 0.15 -0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.93 3hye n ILE -3 Cb 0.69 -2.08 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 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 -4.42 0.67 -0.67 4.38 5.03 -1.25 -1.55 115.26 117.45 3hye n ASN -2 Ca -0.32 0.27 0.09 0.00 0.87 0.00 0.00 54.58 55.48 3hye n ASN -2 Cb 0.65 0.68 -0.03 0.00 -1.02 0.00 0.00 39.78 40.06 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 1.26 -2.18 0.00 7.41 0.00 -1.26 -1.80 105.19 108.62 3hye n GLY -1 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.22 3.93 3.15 -0.02 0.00 -1.11 -4.66 105.19 103.26 3hye n GLY 1 Ca -0.01 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.32 0.16 -0.05 -0.61 -4.36 -1.26 -1.54 121.20 111.21 3hye s ILE 2 Ca 0.00 -1.28 -0.08 0.00 -0.26 0.00 0.00 60.65 59.03 3hye s ILE 2 Cb 0.00 -1.22 0.02 0.00 1.25 0.00 0.00 42.46 42.50 3hye s ILE 2 CO 0.00 -0.71 0.20 -0.69 0.24 0.00 0.00 174.94 173.99 3hye s VAL 3 N -3.42 0.03 -0.11 8.37 1.01 -0.42 -2.62 120.40 123.23 3hye s VAL 3 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3hye s VAL 3 Cb 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.07 3hye s VAL 3 CO -0.08 -0.14 0.28 0.54 0.00 0.00 0.00 175.10 175.70 3hye s VAL 4 N -0.48 -0.01 0.04 2.92 0.11 -0.09 -1.54 120.40 121.35 3hye s VAL 4 Ca -0.06 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 3hye s VAL 4 Cb -0.04 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3hye s VAL 4 CO 0.01 0.01 -0.17 0.00 -3.33 0.00 0.00 175.10 171.62 3hye s ALA 5 N 0.41 1.46 0.02 1.54 0.00 -0.34 0.37 121.76 125.23 3hye s ALA 5 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3hye s ALA 5 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3hye s ALA 5 CO -0.02 0.31 -0.03 -1.64 0.00 0.00 0.00 175.76 174.37 3hye s MET 6 N -1.15 0.35 0.01 0.00 -1.94 0.96 -1.07 119.30 116.47 3hye s MET 6 Ca 0.05 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3hye s MET 6 Cb -0.08 0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 3hye s MET 6 CO 0.01 -0.04 0.14 0.95 -0.01 0.00 0.00 175.02 176.07 3hye s THR 7 N -1.62 5.11 0.00 2.05 -4.23 -0.25 -0.49 115.64 116.22 3hye s THR 7 Ca -0.14 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3hye s THR 7 Cb -0.09 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.35 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 4.68 3.59 3.99 0.00 -0.19 -4.68 105.19 113.44 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 -0.32 3.48 -1.46 1.61 2.47 0.92 -3.40 119.74 123.03 3hye s LYS 9 Ca 0.00 0.89 0.00 0.00 -1.56 0.00 0.00 55.97 55.30 3hye s LYS 9 Cb 0.00 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 3hye s LYS 9 CO 0.00 -1.69 0.00 -0.25 0.16 0.00 0.00 175.35 173.57 3hye n ASP 10 N 9.19 -4.93 -3.90 1.43 10.43 -1.26 -4.65 116.55 122.86 3hye n ASP 10 Ca 0.17 0.11 -0.08 0.00 2.57 0.00 0.00 54.79 57.55 3hye n ASP 10 Cb 0.48 -4.15 -0.03 0.00 1.84 0.00 0.00 41.12 39.25 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 -3.95 0.11 0.01 0.00 -7.23 -0.64 -1.02 120.40 107.68 3hye s VAL 12 Ca 0.15 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3hye s VAL 12 Cb -0.04 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 3hye s VAL 12 CO 0.07 -0.50 -0.08 0.00 -0.31 0.00 0.00 175.10 174.28 3hye s ALA 13 N -2.26 0.65 -0.04 1.32 0.00 0.36 -0.01 121.76 121.79 3hye s ALA 13 Ca -0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 3hye s ALA 13 Cb -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3hye s ALA 13 CO -0.03 0.12 0.01 -1.50 0.00 0.00 0.00 175.76 174.36 3hye s ILE 14 N -0.51 0.15 0.17 0.00 2.07 -0.67 -0.03 121.20 122.39 3hye s ILE 14 Ca -0.00 0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.44 3hye s ILE 14 Cb -0.05 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 3hye s ILE 14 CO 0.00 0.16 -0.12 0.00 -1.91 0.00 0.00 174.94 173.07 3hye s ALA 15 N 1.29 1.68 0.13 1.50 0.00 0.16 -0.92 121.76 125.60 3hye s ALA 15 Ca -0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 3hye s ALA 15 Cb -0.13 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.02 3hye s ALA 15 CO -0.02 -0.01 0.49 0.00 0.00 0.00 0.00 175.76 176.22 3hye s ASP 17 N -2.66 4.28 -0.03 0.00 3.84 -1.08 -0.86 116.67 120.16 3hye s ASP 17 Ca 0.01 0.12 0.08 0.00 -0.00 0.00 0.00 52.55 52.75 3hye s ASP 17 Cb 0.00 -0.55 0.20 0.00 -1.38 0.00 0.00 42.92 41.20 3hye s ASP 17 CO -0.11 -1.93 1.15 0.18 -0.00 0.00 0.00 175.17 174.46 3hye n LEU 18 N -3.06 2.57 -4.82 2.11 4.77 -0.40 -4.46 117.00 113.70 3hye n LEU 18 Ca 0.12 -2.24 -0.33 0.00 -0.03 0.00 0.00 56.01 53.53 3hye n LEU 18 Cb 0.60 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3hye n LEU 18 CO 0.47 0.62 0.66 -0.60 -1.33 0.00 0.00 177.39 177.22 3hye s ARG 19 N -1.42 4.14 -0.22 3.23 3.52 -0.98 -1.32 118.95 125.91 3hye s ARG 19 Ca 0.16 1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 56.86 3hye s ARG 19 Cb 0.11 -2.16 0.11 0.00 -1.56 0.00 0.00 34.95 31.45 3hye s ARG 19 CO 0.07 -0.11 0.32 -1.17 -0.81 0.00 0.00 175.30 173.60 3hye s LEU 20 N -3.33 -0.43 0.00 -0.88 1.98 -0.39 -4.69 118.68 110.95 3hye s LEU 20 Ca 0.62 0.17 0.03 0.00 -2.89 0.00 0.00 54.13 52.07 3hye s LEU 20 Cb -0.10 0.85 -0.01 0.00 0.66 0.00 0.00 46.19 47.59 3hye s LEU 20 CO 0.16 -0.30 0.12 0.61 -1.89 0.00 0.00 176.35 175.05 3hye n GLY 21 N 5.35 3.26 2.71 7.98 0.00 -0.75 -0.57 105.19 123.18 3hye n GLY 21 Ca -0.05 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.68 3.56 1.71 1.61 0.15 0.11 -3.89 113.70 113.27 3hye s SER 22 Ca 0.17 -3.23 0.00 0.00 0.70 0.00 0.00 55.95 53.59 3hye s SER 22 Cb 0.01 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 3hye s SER 22 CO 0.12 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.39 3hye n GLN 23 N 2.74 0.00 0.26 5.44 1.13 -0.60 -2.31 117.38 124.05 3hye n GLN 23 Ca 0.18 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.38 3hye n GLN 23 Cb 0.38 0.00 0.67 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 -3.30 1.08 4.64 -1.96 -3.43 113.55 110.58 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 0.11 0.73 -0.22 -0.87 0.00 0.00 176.83 176.59 3hye s LEU 25 N -6.72 4.00 0.18 5.97 2.96 -0.98 -5.02 118.68 119.07 3hye s LEU 25 Ca -0.01 1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.62 3hye s LEU 25 Cb 0.11 -3.43 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 3hye s LEU 25 CO 0.57 -0.78 1.09 -0.83 -1.32 0.00 0.00 176.35 175.08 3hye s GLY 26 N 1.57 2.88 -0.02 7.98 0.00 -1.26 0.08 107.32 118.55 3hye s GLY 26 Ca 0.42 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.94 3hye s GLY 26 CO 0.13 1.61 -0.02 -0.62 0.00 0.00 0.00 173.10 174.21 3hye n VAL 27 N 2.27 0.10 -3.87 1.40 0.31 0.26 -4.89 118.33 113.91 3hye n VAL 27 Ca 0.02 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 3hye n VAL 27 Cb 0.46 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.60 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 -4.27 -0.02 -0.13 4.52 0.15 -0.20 -5.00 113.70 108.76 3hye s SER 28 Ca -0.02 0.03 0.15 0.00 0.70 0.00 0.00 55.95 56.81 3hye s SER 28 Cb 0.01 0.11 0.43 0.00 -1.71 0.00 0.00 66.02 64.86 3hye s SER 28 CO 0.04 -0.06 1.34 -0.46 1.20 0.00 0.00 173.24 175.30 3hye n ASN 29 N 2.85 3.43 -0.86 5.45 2.04 -1.26 -1.26 115.26 125.65 3hye n ASN 29 Ca -0.14 -2.79 0.04 0.00 -0.44 0.00 0.00 54.58 51.26 3hye n ASN 29 Cb 0.59 -0.45 0.07 0.00 -2.53 0.00 0.00 39.78 37.47 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 -0.43 0.54 -2.96 -3.83 5.02 -1.10 -4.74 118.16 110.66 3hye n LYS 30 Ca 0.18 -2.14 -0.44 0.00 -2.02 0.00 0.00 58.31 53.89 3hye n LYS 30 Cb 0.74 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 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 -1.13 3.09 0.29 2.13 5.36 -0.43 -5.01 117.98 122.28 3hye s PHE 31 Ca 0.27 -1.27 -0.29 0.00 -0.96 0.00 0.00 56.93 54.68 3hye s PHE 31 Cb 0.28 -4.23 -0.09 0.00 -0.34 0.00 0.00 43.02 38.64 3hye s PHE 31 CO -0.08 -1.46 1.05 -1.21 -1.46 0.00 0.00 175.22 172.06 3hye s GLU 32 N 2.71 4.62 -0.02 10.12 2.02 -1.26 -4.36 118.70 132.52 3hye s GLU 32 Ca 0.28 1.66 0.11 0.00 0.02 0.00 0.00 54.97 57.04 3hye s GLU 32 Cb -0.09 -3.09 0.32 0.00 0.10 0.00 0.00 34.13 31.37 3hye s GLU 32 CO -0.05 0.23 1.26 1.63 0.02 0.00 0.00 175.26 178.35 3hye n LYS 33 N 1.03 2.88 -4.80 1.61 5.02 -1.26 -4.96 118.16 117.68 3hye n LYS 33 Ca -0.00 -2.13 -0.33 0.00 -2.02 0.00 0.00 58.31 53.83 3hye n LYS 33 Cb 0.46 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.25 3.19 0.14 -0.18 -1.09 -1.26 -0.03 121.20 120.72 3hye s ILE 34 Ca 0.24 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3hye s ILE 34 Cb 0.14 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 3hye s ILE 34 CO 0.14 0.57 0.03 -0.36 -1.23 0.00 0.00 174.94 174.09 3hye s PHE 35 N -0.40 0.99 -0.03 3.97 0.40 0.19 -4.96 117.98 118.13 3hye s PHE 35 Ca 0.05 -1.14 -0.07 0.00 -0.60 0.00 0.00 56.93 55.17 3hye s PHE 35 Cb -0.12 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.85 3hye s PHE 35 CO 0.02 -0.38 0.16 -3.38 0.70 0.00 0.00 175.22 172.33 3hye s HIS 36 N -3.88 -0.09 -0.28 0.36 -3.43 -1.26 0.32 115.29 107.03 3hye s HIS 36 Ca 0.23 0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.70 3hye s HIS 36 Cb 0.07 0.01 0.08 0.00 -1.43 0.00 0.00 32.58 31.31 3hye s HIS 36 CO 0.02 -0.18 0.00 0.71 -2.00 0.00 0.00 174.74 173.29 3hye s TYR 38 N -0.56 2.72 0.00 0.38 2.02 0.56 -4.97 117.35 117.50 3hye s TYR 38 Ca -0.07 -2.16 0.00 0.00 -0.37 0.00 0.00 57.07 54.48 3hye s TYR 38 Cb -0.04 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 3hye s TYR 38 CO 0.01 -0.85 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 3hye n GLY 39 N 4.57 2.40 1.26 0.71 0.00 -1.26 -1.76 105.19 111.10 3hye n GLY 39 Ca -0.05 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 12.94 0.75 -3.65 1.61 1.44 -1.26 -4.92 115.22 122.13 3hye n HIS 40 Ca 0.00 -0.38 -0.36 0.00 -2.01 0.00 0.00 57.72 54.97 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 -1.23 5.37 -0.02 0.61 1.01 -0.72 -4.50 120.40 120.92 3hye s VAL 41 Ca 0.44 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3hye s VAL 41 Cb 0.24 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3hye s VAL 41 CO 0.32 0.42 -0.00 -0.36 0.00 0.00 0.00 175.10 175.48 3hye s PHE 42 N 0.44 3.08 -0.06 5.22 0.40 0.10 -0.32 117.98 126.84 3hye s PHE 42 Ca 0.11 0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 3hye s PHE 42 Cb -0.12 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.75 3hye s PHE 42 CO 0.00 0.46 0.00 -1.17 0.70 0.00 0.00 175.22 175.21 3hye s LEU 43 N -1.43 0.75 -0.07 -0.37 2.96 0.15 -1.16 118.68 119.50 3hye s LEU 43 Ca 0.18 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3hye s LEU 43 Cb -0.11 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 3hye s LEU 43 CO 0.09 -0.16 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.09 3hye s GLY 44 N 1.67 1.77 -0.09 7.98 0.00 0.26 0.57 107.32 119.49 3hye s GLY 44 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3hye s GLY 44 CO -0.04 -0.63 -0.10 -0.42 0.00 0.00 0.00 173.10 171.92 3hye s ILE 45 N -0.86 1.04 0.44 0.90 -1.09 0.96 -0.80 121.20 121.80 3hye s ILE 45 Ca 0.13 -0.37 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3hye s ILE 45 Cb -0.11 -1.01 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 3hye s ILE 45 CO 0.02 0.35 0.39 0.42 -1.23 0.00 0.00 174.94 174.89 3hye s THR 46 N 1.15 2.50 0.00 2.92 -4.23 -1.06 -4.78 115.64 112.13 3hye s THR 46 Ca -0.06 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3hye s THR 46 Cb -0.14 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3hye s THR 46 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3hye n GLY 47 N -1.59 -0.05 3.65 3.99 0.00 -1.26 -1.41 105.19 108.52 3hye n GLY 47 Ca 0.03 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 4.24 0.21 0.99 2.96 -0.04 -4.60 118.68 122.44 3hye s LEU 48 Ca 0.00 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.12 3hye s LEU 48 Cb 0.00 -3.53 0.28 0.00 0.50 0.00 0.00 46.19 43.44 3hye s LEU 48 CO 0.00 -1.11 1.67 0.00 -1.32 0.00 0.00 176.35 175.59 3hye h ALA 49 N 10.62 0.61 -0.73 5.97 0.00 -1.89 -0.84 119.26 132.99 3hye h ALA 49 Ca -0.43 0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hye h ALA 49 Cb 1.21 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3hye h ALA 49 CO 0.95 -0.38 0.48 0.00 0.00 0.00 0.00 179.25 180.31 3hye h THR 50 N 0.14 1.04 -0.00 0.00 1.03 -1.99 0.29 112.91 113.42 3hye h THR 50 Ca 0.31 -0.27 -0.17 0.00 -0.01 0.00 0.00 66.41 66.28 3hye h THR 50 Cb 0.50 0.18 -0.02 0.00 -1.07 0.00 0.00 68.15 67.74 3hye h THR 50 CO -0.50 0.14 -0.78 0.44 -0.01 0.00 0.00 175.52 174.82 3hye h ASP 51 N 0.79 0.04 -0.13 0.00 3.45 -1.58 -1.01 116.42 117.97 3hye h ASP 51 Ca 0.31 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 3hye h ASP 51 Cb 0.22 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3hye h ASP 51 CO -0.10 0.80 0.04 0.58 -1.57 0.00 0.00 179.24 178.98 3hye h VAL 52 N 0.02 1.19 -0.34 -1.35 2.07 0.13 0.14 116.25 118.09 3hye h VAL 52 Ca -0.01 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hye h VAL 52 Cb 1.37 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3hye h VAL 52 CO 0.10 0.17 0.17 0.74 0.02 0.00 0.00 177.57 178.77 3hye h THR 53 N 0.02 1.16 -0.46 2.57 2.02 -0.96 -2.14 112.91 115.13 3hye h THR 53 Ca 0.04 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3hye h THR 53 Cb 0.23 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3hye h THR 53 CO -0.00 0.16 0.24 0.74 0.37 0.00 0.00 175.52 177.03 3hye h THR 54 N 0.42 1.17 -0.75 3.16 2.02 -1.04 -2.03 112.91 115.85 3hye h THR 54 Ca 0.12 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3hye h THR 54 Cb 0.11 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3hye h THR 54 CO -0.02 0.18 0.27 -0.07 0.37 0.00 0.00 175.52 176.26 3hye h LEU 55 N 0.60 1.06 -0.43 2.58 3.38 -0.60 0.42 115.31 122.32 3hye h LEU 55 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 55 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hye h LEU 55 CO -0.02 0.96 0.18 -1.13 0.09 0.00 0.00 178.44 178.52 3hye h ASN 56 N 1.11 0.58 -0.25 -0.43 -1.24 -1.20 0.17 115.58 114.32 3hye h ASN 56 Ca 0.25 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 3hye h ASN 56 Cb 0.25 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3hye h ASN 56 CO -0.02 0.57 0.02 -0.33 -1.29 0.00 0.00 177.43 176.39 3hye h GLU 57 N 0.54 0.54 -0.13 6.67 5.08 -0.93 0.04 114.58 126.39 3hye h GLU 57 Ca 0.14 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3hye h GLU 57 Cb 0.17 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hye h GLU 57 CO -0.01 0.55 -0.09 1.98 -1.00 0.00 0.00 179.01 180.44 3hye h MET 58 N 0.52 0.28 -0.01 2.33 4.05 -0.40 -2.20 114.93 119.50 3hye h MET 58 Ca 0.11 -0.14 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 3hye h MET 58 Cb 0.31 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3hye h MET 58 CO 0.01 0.65 -0.47 0.74 0.23 0.00 0.00 176.91 178.07 3hye h PHE 59 N -0.08 0.02 -0.10 1.39 0.05 -0.75 0.24 116.94 117.70 3hye h PHE 59 Ca 0.02 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3hye h PHE 59 Cb 0.58 -0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.52 3hye h PHE 59 CO 0.08 0.48 0.04 -0.09 -0.18 0.00 0.00 178.31 178.63 3hye h ARG 60 N 0.02 0.16 -0.25 1.51 2.43 -0.96 0.70 114.38 118.00 3hye h ARG 60 Ca -0.00 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3hye h ARG 60 Cb 0.83 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 3hye h ARG 60 CO 0.06 0.29 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.77 3hye h TYR 61 N -0.01 -0.29 -0.32 2.20 5.03 -0.96 -0.90 116.97 121.72 3hye h TYR 61 Ca 0.03 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.21 3hye h TYR 61 Cb 0.20 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 3hye h TYR 61 CO -0.01 -0.18 -0.43 0.87 -1.32 0.00 0.00 178.16 177.09 3hye h LYS 62 N -0.09 0.82 0.00 1.82 1.57 -0.84 -2.74 116.57 117.11 3hye h LYS 62 Ca 0.13 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3hye h LYS 62 Cb 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hye h LYS 62 CO -0.30 1.08 -0.27 1.79 -0.57 0.00 0.00 179.45 181.17 3hye h THR 63 N 0.66 0.66 0.01 -0.16 1.35 -0.66 -0.88 112.91 113.89 3hye h THR 63 Ca 0.05 -1.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3hye h THR 63 Cb 1.00 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3hye h THR 63 CO 0.10 0.27 -0.00 0.78 -0.25 0.00 0.00 175.52 176.41 3hye h ASN 64 N 0.00 -0.01 -0.44 5.36 2.35 -1.04 -1.67 115.58 120.14 3hye h ASN 64 Ca -0.00 -0.48 -0.03 0.00 -0.55 0.00 0.00 56.30 55.23 3hye h ASN 64 Cb 0.80 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 3hye h ASN 64 CO 0.04 0.48 0.18 -0.07 -1.65 0.00 0.00 177.43 176.41 3hye h LEU 65 N -0.50 0.64 0.14 1.61 3.38 -1.38 -2.00 115.31 117.21 3hye h LEU 65 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hye h LEU 65 Cb 0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hye h LEU 65 CO 0.00 0.60 -0.12 0.22 0.09 0.00 0.00 178.44 179.23 3hye h TYR 66 N 0.70 -0.31 -0.93 1.13 5.03 -1.06 -2.00 116.97 119.54 3hye h TYR 66 Ca 0.17 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.53 3hye h TYR 66 Cb 0.17 0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.50 3hye h TYR 66 CO 0.01 -0.19 0.59 -0.22 -1.32 0.00 0.00 178.16 177.04 3hye h LYS 67 N -0.28 1.06 -0.46 1.82 3.64 -0.96 0.24 116.57 121.65 3hye h LYS 67 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3hye h LYS 67 Cb 0.25 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3hye h LYS 67 CO -0.02 0.70 0.11 -0.07 -2.27 0.00 0.00 179.45 177.90 3hye h LEU 68 N 1.10 0.64 0.04 5.20 3.38 -1.03 0.17 115.31 124.81 3hye h LEU 68 Ca 0.39 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.99 3hye h LEU 68 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hye h LEU 68 CO -0.16 0.64 -1.45 0.11 0.09 0.00 0.00 178.44 177.68 3hye h LYS 69 N 0.67 0.09 0.00 1.13 1.57 -0.80 -3.37 116.57 115.85 3hye h LYS 69 Ca 0.15 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hye h LYS 69 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hye h LYS 69 CO -0.00 1.07 -0.24 0.93 -0.57 0.00 0.00 179.45 180.64 3hye h GLU 70 N -0.68 0.00 -3.89 3.15 4.39 -0.62 -3.47 114.58 113.46 3hye h GLU 70 Ca -0.36 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.97 3hye h GLU 70 Cb 1.52 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.22 3hye h GLU 70 CO -0.11 0.24 -0.55 0.39 -1.16 0.00 0.00 179.01 177.82 3hye n GLU 71 N -3.31 -4.04 -3.49 2.33 1.02 0.60 -4.97 120.64 108.78 3hye n GLU 71 Ca 0.01 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.86 3hye n GLU 71 Cb 0.49 -5.52 -0.04 0.00 -0.02 0.00 0.00 31.44 26.34 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 -5.50 1.06 0.39 3.49 1.70 -1.23 -5.06 118.95 113.80 3hye s ARG 72 Ca 0.23 -0.05 -0.25 0.00 -0.47 0.00 0.00 55.73 55.20 3hye s ARG 72 Cb -0.10 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 3hye s ARG 72 CO 0.29 -0.39 1.06 0.00 -1.08 0.00 0.00 175.30 175.17 3hye s ALA 73 N -2.23 3.12 0.48 7.88 0.00 -1.26 -4.20 121.76 125.54 3hye s ALA 73 Ca -0.04 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 3hye s ALA 73 Cb -0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3hye s ALA 73 CO -0.01 -0.22 1.19 -1.50 0.00 0.00 0.00 175.76 175.22 3hye s ILE 74 N -1.60 2.97 0.36 0.00 2.07 -1.26 -5.04 121.20 118.69 3hye s ILE 74 Ca 0.56 0.72 0.02 0.00 -1.41 0.00 0.00 60.65 60.55 3hye s ILE 74 Cb -0.23 -3.36 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 3hye s ILE 74 CO 0.29 -0.02 0.54 -1.61 -1.91 0.00 0.00 174.94 172.24 3hye s GLU 75 N -2.75 3.31 0.16 3.50 0.41 -1.26 -4.69 118.70 117.37 3hye s GLU 75 Ca 0.65 -0.54 -0.19 0.00 -0.41 0.00 0.00 54.97 54.48 3hye s GLU 75 Cb -0.30 -2.69 0.06 0.00 -1.78 0.00 0.00 34.13 29.42 3hye s GLU 75 CO 0.36 0.06 1.65 -1.35 -0.49 0.00 0.00 175.26 175.49 3hye h PRO 76 N 0.73 -0.10 -0.55 0.39 0.11 -1.93 0.61 132.00 131.25 3hye h PRO 76 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hye h PRO 76 Cb 1.24 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3hye h PRO 76 CO 0.59 -0.06 0.36 0.93 -0.21 0.00 0.00 178.00 179.60 3hye h GLU 77 N -0.10 0.73 -0.35 1.05 3.07 -1.97 -1.12 114.58 115.88 3hye h GLU 77 Ca 0.17 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.84 3hye h GLU 77 Cb 0.35 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3hye h GLU 77 CO -0.39 0.50 -0.30 1.15 -1.40 0.00 0.00 179.01 178.57 3hye h THR 78 N 0.75 1.28 -0.78 1.13 2.02 -1.88 -2.83 112.91 112.61 3hye h THR 78 Ca 0.20 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 3hye h THR 78 Cb -0.07 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3hye h THR 78 CO -0.04 0.48 0.38 0.15 0.37 0.00 0.00 175.52 176.86 3hye h PHE 79 N 0.62 1.12 -0.96 3.16 3.57 -0.76 -1.19 116.94 122.49 3hye h PHE 79 Ca 0.06 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.60 3hye h PHE 79 Cb 0.87 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 3hye h PHE 79 CO 0.07 0.81 0.61 1.15 -2.23 0.00 0.00 178.31 178.71 3hye h THR 80 N 1.10 1.01 -0.39 4.41 2.02 -1.08 0.18 112.91 120.15 3hye h THR 80 Ca 0.27 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 3hye h THR 80 Cb 0.11 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 3hye h THR 80 CO -0.04 0.19 -0.25 1.56 0.37 0.00 0.00 175.52 177.35 3hye h GLN 81 N 1.05 0.80 -0.46 6.66 1.08 -1.10 -1.85 115.11 121.28 3hye h GLN 81 Ca 0.44 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 3hye h GLN 81 Cb 0.29 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3hye h GLN 81 CO -0.21 0.97 0.00 1.25 -0.95 0.00 0.00 178.83 179.88 3hye h LEU 82 N 0.69 0.73 0.10 1.46 5.85 0.14 -1.46 115.31 122.82 3hye h LEU 82 Ca 0.09 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hye h LEU 82 Cb 0.78 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3hye h LEU 82 CO 0.06 0.80 -0.05 0.58 -0.34 0.00 0.00 178.44 179.50 3hye h VAL 83 N 0.72 1.07 -0.15 1.05 2.07 -0.52 -1.44 116.25 119.04 3hye h VAL 83 Ca 0.14 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3hye h VAL 83 Cb 0.44 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3hye h VAL 83 CO 0.02 0.16 -0.16 -1.28 0.02 0.00 0.00 177.57 176.32 3hye h SER 84 N -0.43 -0.52 0.18 0.57 0.87 -1.18 0.09 113.55 113.13 3hye h SER 84 Ca -0.01 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 3hye h SER 84 Cb 0.36 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3hye h SER 84 CO 0.02 -0.21 -0.35 0.77 -0.53 0.00 0.00 176.83 176.53 3hye h SER 85 N -0.19 0.25 -0.48 6.23 4.64 -1.31 -1.36 113.55 121.32 3hye h SER 85 Ca 0.10 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3hye h SER 85 Cb 0.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3hye h SER 85 CO -0.27 0.59 -0.14 0.28 -0.87 0.00 0.00 176.83 176.42 3hye h SER 86 N 0.21 0.98 -0.14 4.97 0.02 -0.63 -2.36 113.55 116.60 3hye h SER 86 Ca 0.03 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 3hye h SER 86 Cb 0.72 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hye h SER 86 CO 0.05 1.12 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.65 3hye h LEU 87 N 0.86 0.37 -2.34 5.07 3.38 -0.76 -3.13 115.31 118.76 3hye h LEU 87 Ca 0.13 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3hye h LEU 87 Cb 0.70 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hye h LEU 87 CO 0.05 0.77 -0.03 0.22 0.09 0.00 0.00 178.44 179.54 3hye h TYR 88 N -0.03 0.00 0.00 1.13 3.20 -1.23 -1.04 116.97 119.00 3hye h TYR 88 Ca 0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hye h TYR 88 Cb 0.67 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3hye h TYR 88 CO 0.08 0.03 -0.00 1.49 -1.64 0.00 0.00 178.16 178.12 3hye h GLU 89 N 0.00 0.00 -0.53 1.82 4.81 -1.36 0.26 114.58 119.58 3hye h GLU 89 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 3hye h GLU 89 Cb 0.10 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.28 3hye h GLU 89 CO 0.00 0.00 -0.12 0.54 -0.73 0.00 0.00 179.01 178.71 3hye n ARG 90 N -3.12 2.32 -0.33 1.92 5.12 -0.40 -4.84 116.66 117.34 3hye n ARG 90 Ca -0.02 -3.42 0.22 0.00 -1.93 0.00 0.00 57.85 52.70 3hye n ARG 90 Cb 0.13 -1.98 0.42 0.00 -1.16 0.00 0.00 32.46 29.88 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 1.38 0.08 -0.44 5.56 9.65 -1.00 0.11 114.38 129.72 3hye h ARG 91 Ca 0.31 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 3hye h ARG 91 Cb 1.55 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 3hye h ARG 91 CO 0.63 0.05 0.00 1.19 2.80 0.00 0.00 179.97 184.65 3hye n PHE 92 N -5.30 1.55 -2.70 2.20 3.01 -1.26 -4.38 117.46 110.58 3hye n PHE 92 Ca 0.29 -0.79 -0.06 0.00 1.01 0.00 0.00 57.45 57.90 3hye n PHE 92 Cb 0.97 -0.41 0.09 0.00 -0.01 0.00 0.00 39.48 40.11 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 0.14 0.03 3.72 1.37 0.00 -0.22 -5.16 105.19 105.06 3hye n GLY 93 Ca 0.25 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 0.16 1.58 0.07 1.61 0.04 0.22 -4.84 135.00 133.85 3hye s PRO 94 Ca 0.19 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.32 3hye s PRO 94 Cb 0.28 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 3hye s PRO 94 CO -0.09 -2.18 0.82 0.71 0.04 0.00 0.00 177.00 176.30 3hye s TYR 95 N -2.77 3.77 -1.29 0.56 1.51 -1.26 -4.95 117.35 112.91 3hye s TYR 95 Ca 0.64 1.57 -0.12 0.00 -1.01 0.00 0.00 57.07 58.15 3hye s TYR 95 Cb -0.20 -2.87 0.14 0.00 -0.11 0.00 0.00 41.96 38.91 3hye s TYR 95 CO 0.57 0.28 1.78 1.19 -1.11 0.00 0.00 175.55 178.26 3hye n PHE 96 N 2.70 3.83 -4.25 2.71 3.72 -1.26 -4.74 117.46 120.17 3hye n PHE 96 Ca -0.02 -2.99 -0.14 0.00 -0.05 0.00 0.00 57.45 54.25 3hye n PHE 96 Cb 0.50 -2.19 -0.10 0.00 -0.94 0.00 0.00 39.48 36.75 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 1.59 0.52 -0.46 -4.37 -7.23 -1.26 -0.86 120.40 108.33 3hye s VAL 97 Ca 0.43 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3hye s VAL 97 Cb 0.06 -2.27 0.14 0.00 0.56 0.00 0.00 36.38 34.87 3hye s VAL 97 CO -0.00 -0.32 0.27 -0.83 -0.31 0.00 0.00 175.10 173.92 3hye s GLY 98 N -3.19 1.68 0.58 2.32 0.00 -0.50 -3.60 107.32 104.61 3hye s GLY 98 Ca 0.29 -2.64 -0.16 0.00 0.00 0.00 0.00 44.72 42.20 3hye s GLY 98 CO 0.07 1.61 1.05 -4.14 0.00 0.00 0.00 173.10 171.69 3hye s PRO 99 N 0.19 3.39 -0.08 2.90 0.02 -1.26 -2.57 135.00 137.59 3hye s PRO 99 Ca 0.20 1.22 -0.03 0.00 0.02 0.00 0.00 61.00 62.41 3hye s PRO 99 Cb -0.19 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.34 3hye s PRO 99 CO -0.04 -0.75 0.17 0.08 -0.33 0.00 0.00 177.00 176.13 3hye s VAL 100 N -2.40 -0.20 -0.09 3.83 1.01 0.02 -2.25 120.40 120.31 3hye s VAL 100 Ca 0.64 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3hye s VAL 100 Cb -0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3hye s VAL 100 CO 0.35 0.12 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3hye s VAL 101 N 1.93 4.38 -0.05 2.92 1.01 0.83 -0.57 120.40 130.84 3hye s VAL 101 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 3hye s VAL 101 Cb -0.12 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.42 3hye s VAL 101 CO -0.06 0.60 0.20 0.00 0.00 0.00 0.00 175.10 175.83 3hye s ALA 102 N -0.79 -0.49 0.00 5.51 0.00 -0.31 -0.71 121.76 124.98 3hye s ALA 102 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3hye s ALA 102 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3hye s ALA 102 CO 0.02 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3hye n GLY 103 N 2.46 0.28 3.28 0.00 0.00 -0.21 -0.73 105.19 110.28 3hye n GLY 103 Ca -0.16 -1.09 -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 2.35 0.00 -0.61 1.01 -1.26 -0.20 121.20 120.49 3hye s ILE 104 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 3hye s ILE 104 Cb 0.00 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 3hye s ILE 104 CO 0.00 0.55 1.75 0.21 0.00 0.00 0.00 174.94 177.45 3hye s ASN 105 N 0.20 6.59 0.64 3.58 3.84 -0.77 -4.84 114.94 124.18 3hye s ASN 105 Ca -0.13 2.43 0.42 0.00 0.21 0.00 0.00 52.86 55.79 3hye s ASN 105 Cb -0.16 -2.54 2.23 0.00 -0.55 0.00 0.00 41.25 40.22 3hye s ASN 105 CO 0.07 -0.96 2.30 0.77 -2.79 0.00 0.00 177.10 176.50 3hye h SER 10 N 9.56 0.00 0.00 -4.21 4.64 -1.96 0.52 113.55 122.11 3hye h SER 10 Ca -0.43 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.56 3hye h SER 10 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 3hye h SER 10 CO 0.94 0.00 -2.25 1.17 -0.87 0.00 0.00 176.83 175.83 3hye n LYS 10 N -3.13 0.88 -0.00 4.77 4.81 -1.26 -4.55 118.16 119.68 3hye n LYS 10 Ca -0.02 0.05 0.10 0.00 -0.87 0.00 0.00 58.31 57.57 3hye n LYS 10 Cb 0.11 -1.46 -0.13 0.00 0.02 0.00 0.00 35.03 33.58 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 -2.86 0.61 0.00 3.14 3.41 -1.17 -4.96 113.62 111.78 3hye n SER 10 Ca -0.34 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 3hye n SER 10 Cb 1.02 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 66.33 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 1.40 0.34 3.70 5.00 0.00 0.18 -4.96 105.19 110.86 3hye n GLY 106 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.73 4.39 0.46 1.61 2.20 -1.26 -4.67 119.74 121.73 3hye s LYS 107 Ca 0.00 1.77 -0.23 0.00 -0.36 0.00 0.00 55.97 57.15 3hye s LYS 107 Cb 0.00 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 3hye s LYS 107 CO 0.00 -0.36 1.20 -2.14 -0.36 0.00 0.00 175.35 173.69 3hye s PRO 108 N 1.59 3.73 -0.10 4.03 0.02 -1.26 -1.84 135.00 141.16 3hye s PRO 108 Ca 0.59 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 3hye s PRO 108 Cb -0.28 -2.44 0.04 0.00 0.02 0.00 0.00 34.50 31.83 3hye s PRO 108 CO 0.27 -0.61 0.25 0.12 -0.33 0.00 0.00 177.00 176.70 3hye s PHE 109 N -1.48 -0.31 0.04 6.54 5.36 0.72 -4.93 117.98 123.91 3hye s PHE 109 Ca 0.63 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 3hye s PHE 109 Cb -0.31 0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 3hye s PHE 109 CO 0.38 -0.20 -0.04 0.96 -1.46 0.00 0.00 175.22 174.85 3hye s ILE 110 N 0.90 0.30 -0.03 3.12 -4.36 -1.26 -1.04 121.20 118.83 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 -0.08 -0.85 0.07 0.00 1.25 0.00 0.00 42.46 42.86 3hye s ILE 110 CO -0.06 -0.66 0.69 0.00 0.24 0.00 0.00 174.94 175.16 3hye s ALA 111 N -2.37 -1.76 0.29 2.27 0.00 0.12 -4.08 121.76 116.22 3hye s ALA 111 Ca -0.05 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3hye s ALA 111 Cb -0.03 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 3hye s ALA 111 CO -0.04 -0.42 -0.09 0.20 0.00 0.00 0.00 175.76 175.42 3hye s GLY 112 N -1.41 1.91 0.04 0.00 0.00 0.71 -0.12 107.32 108.46 3hye s GLY 112 Ca -0.09 -1.94 -0.05 0.00 0.00 0.00 0.00 44.72 42.65 3hye s GLY 112 CO 0.06 -1.90 0.08 -1.36 0.00 0.00 0.00 173.10 169.98 3hye s PHE 113 N -2.86 0.25 0.60 1.90 0.08 -0.95 -0.36 117.98 116.65 3hye s PHE 113 Ca 0.30 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.78 3hye s PHE 113 Cb 0.02 -0.18 0.08 0.00 -0.57 0.00 0.00 43.02 42.37 3hye s PHE 113 CO 0.13 -0.37 0.83 0.16 -0.10 0.00 0.00 175.22 175.86 3hye s ASP 114 N -2.29 4.96 0.46 1.36 3.84 -0.99 -4.01 116.67 120.00 3hye s ASP 114 Ca -0.03 -0.42 0.30 0.00 -0.00 0.00 0.00 52.55 52.41 3hye s ASP 114 Cb 0.00 -0.23 1.64 0.00 -1.38 0.00 0.00 42.92 42.95 3hye s ASP 114 CO -0.06 -1.39 1.92 0.17 -0.00 0.00 0.00 175.17 175.81 3hye h LEU 115 N -0.03 0.00 -3.30 2.11 -0.00 -1.85 -1.81 115.31 110.43 3hye h LEU 115 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 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 0.00 178.44 181.18 3hye n ILE 116 N -2.57 2.35 0.00 0.15 -5.35 -1.26 -4.32 119.36 108.36 3hye n ILE 116 Ca -0.02 -1.85 0.00 0.00 -0.27 0.00 0.00 62.75 60.61 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 -0.41 0.51 3.68 3.28 0.00 -0.68 -3.25 105.19 108.32 3hye n GLY 117 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.76 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 3.26 4.76 -0.27 0.00 1.01 -1.26 -2.34 121.20 126.36 3hye s ILE 119 Ca 0.90 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.95 3hye s ILE 119 Cb -0.71 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 37.84 3hye s ILE 119 CO 0.49 0.45 -0.04 -0.62 0.00 0.00 0.00 174.94 175.23 3hye s ASP 120 N -0.52 4.22 -0.87 3.58 3.68 0.52 -4.97 116.67 122.30 3hye s ASP 120 Ca 0.33 -1.47 -0.06 0.00 2.13 0.00 0.00 52.55 53.47 3hye s ASP 120 Cb -0.20 -1.35 0.22 0.00 -1.45 0.00 0.00 42.92 40.14 3hye s ASP 120 CO 0.20 -0.26 0.78 -0.70 0.13 0.00 0.00 175.17 175.32 3hye s GLU 121 N 1.23 3.42 0.51 4.34 2.12 -1.26 -0.21 118.70 128.85 3hye s GLU 121 Ca -0.02 -2.93 -0.15 0.00 0.36 0.00 0.00 54.97 52.22 3hye s GLU 121 Cb -0.19 -4.16 -0.07 0.00 0.26 0.00 0.00 34.13 29.97 3hye s GLU 121 CO -0.08 -1.25 0.97 0.00 -0.54 0.00 0.00 175.26 174.36 3hye s ALA 122 N -0.73 3.10 -0.13 6.30 0.00 -1.26 -4.98 121.76 124.06 3hye s ALA 122 Ca 0.24 0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.50 3hye s ALA 122 Cb -0.11 -3.07 -0.18 0.00 0.00 0.00 0.00 23.12 19.76 3hye s ALA 122 CO -0.09 -0.26 0.66 0.36 0.00 0.00 0.00 175.76 176.43 3hye n LYS 12 N -1.68 0.64 0.00 0.00 2.85 -1.26 -4.52 118.16 114.18 3hye n LYS 12 Ca 0.06 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 3hye n LYS 12 Cb 0.54 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.67 0.00 -4.09 -5.58 5.68 -1.26 -4.51 116.55 104.12 3hye n ASP 123 Ca -0.10 0.04 -0.10 0.00 -0.50 0.00 0.00 54.79 54.13 3hye n ASP 123 Cb 0.77 -0.28 -0.09 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.55 0.73 -0.07 2.11 -0.12 -1.26 -1.09 117.98 117.74 3hye s PHE 124 Ca 0.00 -1.08 -0.04 0.00 -0.05 0.00 0.00 56.93 55.76 3hye s PHE 124 Cb 0.00 -0.31 0.03 0.00 -0.63 0.00 0.00 43.02 42.10 3hye s PHE 124 CO 0.00 -0.64 0.16 0.42 -0.05 0.00 0.00 175.22 175.12 3hye s ILE 125 N -4.04 -0.03 0.19 -4.49 1.01 -0.23 -4.75 121.20 108.86 3hye s ILE 125 Ca 0.24 0.10 0.11 0.00 0.00 0.00 0.00 60.65 61.10 3hye s ILE 125 Cb 0.05 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3hye s ILE 125 CO 0.04 0.04 -0.23 0.68 0.00 0.00 0.00 174.94 175.47 3hye s VAL 126 N 0.72 2.21 -0.11 2.92 -7.23 -1.26 -1.19 120.40 116.45 3hye s VAL 126 Ca -0.05 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 3hye s VAL 126 Cb -0.07 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.89 3hye s VAL 126 CO -0.04 -0.16 0.69 -0.55 -0.31 0.00 0.00 175.10 174.73 3hye s SER 127 N -2.66 -0.68 0.00 4.85 0.15 -0.59 -5.00 113.70 109.77 3hye s SER 127 Ca 0.19 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.77 3hye s SER 127 Cb -0.07 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 3hye s SER 127 CO 0.09 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.64 3hye n GLY 128 N 1.44 0.71 0.00 9.45 0.00 -1.26 -1.30 105.19 114.23 3hye n GLY 128 Ca -0.18 -2.32 0.08 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.76 0.79 -1.68 2.61 -2.24 -0.59 -2.21 114.28 110.20 3hye n THR 129 Ca 0.00 0.20 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 3hye n THR 129 Cb 0.00 -0.93 0.18 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.42 3.36 0.07 6.98 0.00 -1.26 -4.81 120.51 123.43 3hye n ALA 130 Ca 0.05 -3.09 0.03 0.00 0.00 0.00 0.00 53.44 50.43 3hye n ALA 130 Cb 0.16 -0.41 0.40 0.00 0.00 0.00 0.00 19.45 19.61 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 0.90 0.33 -0.19 0.00 4.64 -1.70 0.30 113.55 117.83 3hye h SER 131 Ca -0.03 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3hye h SER 131 Cb 1.13 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3hye h SER 131 CO 0.01 0.38 0.06 0.44 -0.87 0.00 0.00 176.83 176.85 3hye h ASP 132 N 0.35 0.28 -0.52 4.97 3.45 -1.87 0.20 116.42 123.28 3hye h ASP 132 Ca 0.08 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.33 3hye h ASP 132 Cb 0.22 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.89 3hye h ASP 132 CO 0.00 0.42 0.33 1.56 -1.57 0.00 0.00 179.24 179.98 3hye h GLN 133 N 0.13 0.70 -0.81 3.56 7.50 -1.81 -1.79 115.11 122.59 3hye h GLN 133 Ca 0.06 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 59.18 3hye h GLN 133 Cb 0.24 -0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 3hye h GLN 133 CO -0.00 0.49 0.53 -0.07 -1.50 0.00 0.00 178.83 178.28 3hye h LEU 134 N 0.70 0.90 -1.06 1.46 3.38 -0.70 -0.28 115.31 119.72 3hye h LEU 134 Ca 0.19 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3hye h LEU 134 Cb -0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3hye h LEU 134 CO -0.04 0.64 0.64 -0.26 0.09 0.00 0.00 178.44 179.51 3hye h PHE 135 N 1.06 1.20 -0.06 1.13 0.04 -0.53 0.10 116.94 119.89 3hye h PHE 135 Ca 0.31 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 3hye h PHE 135 Cb -0.06 -0.41 -0.00 0.00 2.20 0.00 0.00 35.95 37.68 3hye h PHE 135 CO -0.02 0.74 0.02 0.78 -0.60 0.00 0.00 178.31 179.23 3hye h GLY 136 N 1.28 0.09 0.99 -1.45 0.00 -0.42 -1.07 103.07 102.50 3hye h GLY 136 Ca 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 3hye h GLY 136 CO -0.09 0.05 -0.23 -0.33 0.00 0.00 0.00 176.54 175.95 3hye h MET 137 N -0.10 -0.61 -0.09 4.80 2.86 -0.69 -3.04 114.93 118.06 3hye h MET 137 Ca 0.02 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3hye h MET 137 Cb 0.20 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3hye h MET 137 CO -0.00 -0.40 -0.04 0.00 1.06 0.00 0.00 176.91 177.53 3hye h GLU 139 N -0.03 0.00 0.00 0.00 4.57 -1.22 -1.04 114.58 116.87 3hye h GLU 139 Ca 0.05 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.05 3hye h GLU 139 Cb 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3hye h GLU 139 CO -0.11 0.00 -1.21 0.43 -1.18 0.00 0.00 179.01 176.94 3hye n SER 140 N -4.39 1.87 -0.05 1.04 7.64 -0.95 -4.55 113.62 114.22 3hye n SER 140 Ca 0.07 0.47 -0.02 0.00 1.01 0.00 0.00 58.87 60.40 3hye n SER 140 Cb 0.50 -0.90 0.24 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.60 -9.93 -3.43 3.38 -0.71 -3.45 115.31 100.76 3hye h LEU 141 Ca -0.27 -0.13 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 3hye h LEU 141 Cb 1.09 -0.16 0.07 0.00 0.09 0.00 0.00 40.66 41.75 3hye h LEU 141 CO -0.16 0.68 0.57 -0.47 0.09 0.00 0.00 178.44 179.14 3hye s TYR 142 N -4.96 2.97 -0.04 1.13 5.04 -0.40 -5.05 117.35 116.04 3hye s TYR 142 Ca -0.08 1.48 -0.17 0.00 -2.44 0.00 0.00 57.07 55.86 3hye s TYR 142 Cb 0.15 -3.55 0.03 0.00 0.35 0.00 0.00 41.96 38.95 3hye s TYR 142 CO 0.78 -1.70 0.38 -1.83 -1.34 0.00 0.00 175.55 171.84 3hye s GLU 143 N -2.19 0.70 1.02 4.97 -1.05 -1.26 -4.98 118.70 115.92 3hye s GLU 143 Ca 0.56 -0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 55.25 3hye s GLU 143 Cb -0.35 0.32 0.20 0.00 -0.44 0.00 0.00 34.13 33.86 3hye s GLU 143 CO 0.45 -0.19 1.08 -2.14 0.95 0.00 0.00 175.26 175.41 3hye s PRO 144 N -1.09 0.19 -1.77 -4.83 0.02 -1.26 -4.26 135.00 122.00 3hye s PRO 144 Ca -0.11 1.07 -0.17 0.00 0.02 0.00 0.00 61.00 61.81 3hye s PRO 144 Cb -0.04 -1.67 0.17 0.00 0.02 0.00 0.00 34.50 32.98 3hye s PRO 144 CO 0.05 -3.04 0.49 0.09 -0.33 0.00 0.00 177.00 174.26 3hye n ASN 145 N -4.47 -1.40 -4.78 2.53 4.13 -1.26 -4.94 115.26 105.07 3hye n ASN 145 Ca 0.07 -1.21 -0.36 0.00 1.68 0.00 0.00 54.58 54.75 3hye n ASN 145 Cb 0.54 -1.83 -0.04 0.00 -1.54 0.00 0.00 39.78 36.91 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 -7.27 4.12 0.54 3.41 1.43 -1.26 -4.19 118.68 115.45 3hye s LEU 146 Ca 0.61 2.04 -0.16 0.00 -1.03 0.00 0.00 54.13 55.59 3hye s LEU 146 Cb -0.35 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 3hye s LEU 146 CO 1.00 -0.52 1.01 -1.61 0.23 0.00 0.00 176.35 176.46 3hye s GLU 147 N -2.55 3.74 0.30 1.70 0.41 -1.26 -0.06 118.70 120.97 3hye s GLU 147 Ca 0.59 1.05 -0.03 0.00 -0.41 0.00 0.00 54.97 56.17 3hye s GLU 147 Cb -0.22 -2.10 0.61 0.00 -1.78 0.00 0.00 34.13 30.65 3hye s GLU 147 CO 0.27 -0.45 1.56 -2.30 -0.49 0.00 0.00 175.26 173.85 3hye n PRO 148 N -1.71 -0.08 0.14 0.39 -0.02 -1.26 -0.03 135.00 132.43 3hye n PRO 148 Ca 0.07 1.53 0.01 0.00 -2.02 0.00 0.00 63.50 63.09 3hye n PRO 148 Cb 0.54 -2.35 0.31 0.00 -0.02 0.00 0.00 33.50 31.97 3hye n PRO 148 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hye h GLU 149 N 0.00 0.13 0.06 -0.52 3.07 -2.00 -1.78 114.58 113.54 3hye h GLU 149 Ca 0.54 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.27 3hye h GLU 149 Cb 0.99 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.91 3hye h GLU 149 CO -0.98 0.47 -0.34 -0.44 -1.40 0.00 0.00 179.01 176.32 3hye h ASP 150 N 0.11 0.20 -0.73 1.42 3.45 -0.97 -3.23 116.42 116.68 3hye h ASP 150 Ca 0.01 -0.98 0.10 0.00 0.43 0.00 0.00 57.03 56.60 3hye h ASP 150 Cb 0.68 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.34 3hye h ASP 150 CO 0.05 1.16 0.48 0.25 -1.57 0.00 0.00 179.24 179.61 3hye h LEU 151 N -0.74 0.53 -0.35 1.55 5.85 -0.41 -0.98 115.31 120.76 3hye h LEU 151 Ca -0.06 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hye h LEU 151 Cb 1.27 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3hye h LEU 151 CO 0.06 0.31 0.17 0.15 -0.34 0.00 0.00 178.44 178.79 3hye h PHE 152 N 0.59 0.31 -0.58 1.25 3.57 -1.38 0.52 116.94 121.22 3hye h PHE 152 Ca 0.34 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 3hye h PHE 152 Cb 0.53 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3hye h PHE 152 CO -0.00 0.16 0.30 0.93 -2.23 0.00 0.00 178.31 177.47 3hye h GLU 153 N 0.35 0.81 0.46 1.11 4.39 -1.22 -1.89 114.58 118.59 3hye h GLU 153 Ca 0.15 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3hye h GLU 153 Cb 0.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3hye h GLU 153 CO -0.11 0.64 -0.22 1.15 -1.16 0.00 0.00 179.01 179.31 3hye h THR 154 N 0.78 0.49 -0.88 1.13 2.02 -0.95 -1.67 112.91 113.83 3hye h THR 154 Ca 0.20 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 67.12 3hye h THR 154 Cb 0.08 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 3hye h THR 154 CO -0.03 0.06 0.53 -0.29 0.37 0.00 0.00 175.52 176.16 3hye h ILE 155 N -0.84 0.97 -0.57 3.11 6.09 -0.94 -0.80 117.51 124.52 3hye h ILE 155 Ca -0.06 -0.31 -0.06 0.00 -1.37 0.00 0.00 64.86 63.06 3hye h ILE 155 Cb 0.57 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 37.81 3hye h ILE 155 CO 0.10 0.17 0.13 0.28 -3.07 0.00 0.00 178.15 175.76 3hye h SER 156 N 0.91 0.88 0.31 2.19 0.02 -1.28 -1.15 113.55 115.44 3hye h SER 156 Ca 0.41 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3hye h SER 156 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hye h SER 156 CO -0.22 0.89 -0.47 1.56 -1.14 0.00 0.00 176.83 177.45 3hye h GLN 157 N 0.83 0.20 0.04 3.45 1.08 -0.78 -0.09 115.11 119.84 3hye h GLN 157 Ca 0.18 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3hye h GLN 157 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3hye h GLN 157 CO 0.00 0.63 -0.02 0.00 -0.95 0.00 0.00 178.83 178.49 3hye h ALA 158 N 1.36 -0.06 0.85 3.87 0.00 -0.89 -2.59 119.26 121.80 3hye h ALA 158 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hye h ALA 158 Cb 0.89 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hye h ALA 158 CO 0.07 -0.37 -0.41 1.25 0.00 0.00 0.00 179.25 179.80 3hye h LEU 159 N -0.39 -0.97 -0.60 0.00 5.85 -1.08 -2.81 115.31 115.31 3hye h LEU 159 Ca -0.01 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3hye h LEU 159 Cb 0.35 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 3hye h LEU 159 CO 0.01 -0.69 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.30 3hye h LEU 160 N -1.15 -0.35 -0.37 2.25 4.07 -1.11 -0.92 115.31 117.73 3hye h LEU 160 Ca -0.12 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hye h LEU 160 Cb 0.88 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3hye h LEU 160 CO 0.19 -0.14 0.00 0.78 -1.08 0.00 0.00 178.44 178.19 3hye h ASN 161 N 0.08 0.00 0.17 -0.43 2.35 -1.54 -2.64 115.58 113.57 3hye h ASN 161 Ca 0.31 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.83 3hye h ASN 161 Cb 0.49 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.89 3hye h ASN 161 CO -0.54 0.00 -0.99 0.00 -1.65 0.00 0.00 177.43 174.25 3hye h ALA 162 N 2.09 -0.11 0.00 -0.83 0.00 -1.14 -3.30 119.26 115.97 3hye h ALA 162 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3hye h ALA 162 Cb 0.81 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hye h ALA 162 CO 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 3hye h ALA 163 N 0.11 1.79 -0.00 0.00 0.00 -1.13 -1.91 119.26 118.12 3hye h ALA 163 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hye h ALA 163 Cb 1.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hye h ALA 163 CO 0.19 0.14 -0.00 -0.25 0.00 0.00 0.00 179.25 179.32 3hye n ASP 164 N -4.37 0.00 -0.78 0.00 10.43 -1.00 -2.33 116.55 118.50 3hye n ASP 164 Ca -0.03 -0.10 0.07 0.00 2.57 0.00 0.00 54.79 57.30 3hye n ASP 164 Cb 0.18 -0.30 0.17 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 2.52 -4.12 -1.24 5.12 -0.73 -4.91 116.66 112.01 3hye n ARG 165 Ca 0.14 -2.06 -0.30 0.00 -1.93 0.00 0.00 57.85 53.70 3hye n ARG 165 Cb 0.25 -1.33 -0.16 0.00 -1.16 0.00 0.00 32.46 30.05 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 -1.03 2.70 0.37 0.55 3.68 -0.98 -5.01 116.67 116.94 3hye s ASP 166 Ca 0.27 -0.50 0.04 0.00 2.13 0.00 0.00 52.55 54.50 3hye s ASP 166 Cb 0.15 -1.20 0.70 0.00 -1.45 0.00 0.00 42.92 41.11 3hye s ASP 166 CO 0.20 -0.04 1.99 0.00 0.13 0.00 0.00 175.17 177.45 3hye h ALA 167 N 7.93 1.55 -0.38 3.66 0.00 -1.91 -2.87 119.26 127.23 3hye h ALA 167 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hye h ALA 167 Cb 1.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hye h ALA 167 CO 0.53 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.44 3hye n LEU 168 N -4.41 2.50 -4.45 0.00 4.77 -1.26 -4.92 117.00 109.23 3hye n LEU 168 Ca 0.04 -1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 54.62 3hye n LEU 168 Cb 0.10 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3hye n LEU 168 CO 0.36 0.59 -0.47 -0.44 -1.33 0.00 0.00 177.39 176.10 3hye s SER 169 N -1.24 3.38 0.00 -1.43 0.01 -1.08 -2.76 113.70 110.57 3hye s SER 169 Ca 0.34 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.57 3hye s SER 169 Cb 0.18 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.15 3hye s SER 169 CO 0.25 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3hye n GLY 170 N -0.57 0.10 2.89 3.44 0.00 -1.26 -4.78 105.19 105.00 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 -1.69 0.00 1.61 7.02 -1.26 -2.32 117.44 120.80 3hye n TRP 171 Ca 0.00 0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 3hye n TRP 171 Cb 0.00 -3.95 0.00 0.00 -2.42 0.00 0.00 31.31 24.94 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 -1.29 3.23 3.41 6.99 0.00 -1.26 -4.44 105.19 111.83 3hye n GLY 172 Ca -0.13 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.00 -1.41 -0.01 4.61 0.00 -1.26 -1.27 121.76 119.42 3hye s ALA 173 Ca 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hye s ALA 173 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.35 3hye s ALA 173 CO 0.00 -0.43 0.01 0.54 0.00 0.00 0.00 175.76 175.89 3hye s VAL 174 N -1.87 -0.02 -0.03 0.00 0.11 -0.04 -1.36 120.40 117.18 3hye s VAL 174 Ca -0.08 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 3hye s VAL 174 Cb -0.01 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.78 3hye s VAL 174 CO 0.03 0.03 -0.25 -0.69 -3.33 0.00 0.00 175.10 170.89 3hye s VAL 175 N 0.40 2.03 -0.22 2.04 1.01 0.62 -1.47 120.40 124.81 3hye s VAL 175 Ca -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 3hye s VAL 175 Cb -0.05 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3hye s VAL 175 CO -0.01 0.57 -0.07 -0.31 0.00 0.00 0.00 175.10 175.28 3hye s TYR 176 N -0.46 2.96 -0.27 5.22 2.02 -0.10 -0.58 117.35 126.14 3hye s TYR 176 Ca 0.06 -1.27 -0.10 0.00 -0.37 0.00 0.00 57.07 55.39 3hye s TYR 176 Cb -0.11 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3hye s TYR 176 CO 0.00 -0.66 0.16 0.42 -1.57 0.00 0.00 175.55 173.91 3hye s ILE 177 N 1.40 5.03 -0.11 2.71 -1.09 -0.10 -1.67 121.20 127.37 3hye s ILE 177 Ca 0.04 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 3hye s ILE 177 Cb -0.15 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3hye s ILE 177 CO -0.05 0.28 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.13 3hye s ILE 178 N 1.71 2.70 0.19 2.92 1.01 0.98 -1.53 121.20 129.19 3hye s ILE 178 Ca 0.07 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3hye s ILE 178 Cb -0.16 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3hye s ILE 178 CO 0.09 0.54 -0.08 -0.54 0.00 0.00 0.00 174.94 174.95 3hye s LYS 179 N 0.24 1.21 0.35 2.79 1.02 -0.22 -1.62 119.74 123.52 3hye s LYS 179 Ca -0.11 -1.56 0.15 0.00 0.02 0.00 0.00 55.97 54.46 3hye s LYS 179 Cb -0.16 -0.73 1.04 0.00 -0.52 0.00 0.00 37.83 37.46 3hye s LYS 179 CO 0.06 0.04 1.71 0.87 -0.92 0.00 0.00 175.35 177.11 3hye h LYS 181 N 2.62 0.41 0.00 1.68 1.79 -1.95 -3.17 116.57 117.96 3hye h LYS 181 Ca -0.37 -0.02 -0.42 0.00 -2.18 0.00 0.00 60.65 57.66 3hye h LYS 181 Cb 1.21 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 3hye h LYS 181 CO 0.64 0.27 -2.49 -0.40 -1.08 0.00 0.00 179.45 176.38 3hye n ASP 182 N -4.86 1.97 -4.30 0.86 5.75 -1.26 -5.05 116.55 109.66 3hye n ASP 182 Ca 0.29 0.02 -0.17 0.00 -0.01 0.00 0.00 54.79 54.93 3hye n ASP 182 Cb 0.91 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.20 -0.07 0.11 -1.05 -1.20 -5.14 118.70 110.03 3hye s GLU 183 Ca -0.36 -1.51 -0.01 0.00 -0.15 0.00 0.00 54.97 52.94 3hye s GLU 183 Cb 0.11 -0.90 0.03 0.00 -0.44 0.00 0.00 34.13 32.93 3hye s GLU 183 CO 0.57 0.14 -0.01 0.08 0.95 0.00 0.00 175.26 176.98 3hye s VAL 184 N -3.07 0.47 -0.07 1.83 1.01 -1.26 -1.06 120.40 118.24 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 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3hye s VAL 184 CO 0.04 0.26 -0.06 -0.69 0.00 0.00 0.00 175.10 174.65 3hye s VAL 185 N 1.74 3.78 -0.19 2.92 1.01 -0.58 -4.97 120.40 124.10 3hye s VAL 185 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3hye s VAL 185 Cb -0.13 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3hye s VAL 185 CO -0.05 0.59 -0.18 -0.75 0.00 0.00 0.00 175.10 174.72 3hye s LYS 186 N -0.75 3.05 -0.09 2.72 2.20 -1.26 -0.92 119.74 124.68 3hye s LYS 186 Ca 0.11 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 3hye s LYS 186 Cb -0.11 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 3hye s LYS 186 CO 0.02 -0.21 -0.22 1.03 -0.36 0.00 0.00 175.35 175.60 3hye s ARG 187 N 1.32 2.84 -0.05 4.03 0.52 0.25 -4.96 118.95 122.91 3hye s ARG 187 Ca 0.05 -0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 3hye s ARG 187 Cb -0.13 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3hye s ARG 187 CO -0.11 0.16 0.56 0.71 0.02 0.00 0.00 175.30 176.64 3hye s TYR 188 N 0.38 3.62 0.36 -0.53 1.51 -1.26 -0.28 117.35 121.16 3hye s TYR 188 Ca -0.18 1.10 0.02 0.00 -1.01 0.00 0.00 57.07 57.00 3hye s TYR 188 Cb -0.18 -2.60 -0.02 0.00 -0.11 0.00 0.00 41.96 39.05 3hye s TYR 188 CO 0.08 0.27 0.55 -0.51 -1.11 0.00 0.00 175.55 174.84 3hye s LEU 189 N 0.15 3.94 -0.24 -1.29 1.43 -0.46 -4.99 118.68 117.21 3hye s LEU 189 Ca 0.30 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 3hye s LEU 189 Cb -0.17 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 3hye s LEU 189 CO 0.15 -0.41 0.04 -0.75 0.23 0.00 0.00 176.35 175.61 3hye s LYS 190 N -4.33 3.60 0.26 1.70 2.20 -1.26 -4.31 119.74 117.60 3hye s LYS 190 Ca 0.42 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 3hye s LYS 190 Cb -0.10 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 3hye s LYS 190 CO 0.35 -0.16 0.28 0.00 -0.36 0.00 0.00 175.35 175.45 3hye s MET 191 N 1.51 1.50 0.81 4.03 0.23 -1.26 -5.09 119.30 121.03 3hye s MET 191 Ca 0.06 -1.68 -0.14 0.00 -1.03 0.00 0.00 55.69 52.90 3hye s MET 191 Cb -0.15 0.34 0.05 0.00 -1.53 0.00 0.00 34.83 33.54 3hye s MET 191 CO 0.02 -0.55 0.95 0.54 -2.03 0.00 0.00 175.02 173.94 3hye n ARG 192 N -0.41 0.15 -0.98 3.16 1.74 -1.26 -4.86 116.66 114.20 3hye n ARG 192 Ca 0.02 0.12 -0.02 0.00 -0.77 0.00 0.00 57.85 57.20 3hye n ARG 192 Cb 0.64 -2.22 0.16 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.49 2.13 0.00 5.56 1.13 -1.26 -4.19 117.38 118.26 3hye n GLN 193 Ca 0.12 -3.52 0.00 0.00 -1.94 0.00 0.00 57.00 51.66 3hye n GLN 193 Cb 0.51 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3hye n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22