#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s ILE 5403N 0.00 3.59 -0.45 0.44 1.01 -1.26 0.43 121.20 124.97 2hyb s ILE 5403Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 2hyb s ILE 5403Cb 0.00 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.95 2hyb s ILE 5403CO 0.00 0.48 0.35 -0.22 0.00 0.00 0.00 174.94 175.55 2hyb s LEU 5404N 0.64 5.42 0.26 2.97 2.96 0.17 -1.65 118.68 129.44 2hyb s LEU 5404Ca -0.03 -1.25 -0.24 0.00 -0.22 0.00 0.00 54.13 52.38 2hyb s LEU 5404Cb -0.15 -2.15 -0.09 0.00 0.50 0.00 0.00 46.19 44.31 2hyb s LEU 5404CO 0.02 -0.58 0.84 -1.00 -1.32 0.00 0.00 176.35 174.32 2hyb s HIS 5405N 1.62 3.74 -0.09 5.38 3.76 0.16 -1.69 115.29 128.17 2hyb s HIS 5405Ca 0.04 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 2hyb s HIS 5405Cb -0.23 -2.80 0.01 0.00 1.11 0.00 0.00 32.58 30.67 2hyb s HIS 5405CO 0.07 0.32 -0.14 0.95 -0.85 0.00 0.00 174.74 175.09 2hyb s THR 5406N -1.47 1.38 -0.21 1.30 -4.23 -0.52 -0.43 115.64 111.45 2hyb s THR 5406Ca 0.45 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2hyb s THR 5406Cb -0.19 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.43 2hyb s THR 5406CO 0.24 0.41 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.92 2hyb s VAL 5407N 0.86 1.85 -0.75 2.29 1.01 -0.74 0.20 120.40 125.12 2hyb s VAL 5407Ca -0.10 -1.13 0.15 0.00 0.00 0.00 0.00 61.98 60.90 2hyb s VAL 5407Cb -0.15 -1.88 0.51 0.00 0.00 0.00 0.00 36.38 34.86 2hyb s VAL 5407CO 0.01 0.21 1.43 -0.46 0.00 0.00 0.00 175.10 176.28 2hyb n ASN 5408N 4.61 3.81 -4.24 3.32 2.04 -1.26 -2.23 115.26 121.31 2hyb n ASN 5408Ca -0.16 -2.47 -0.23 0.00 -0.44 0.00 0.00 54.58 51.28 2hyb n ASN 5408Cb 0.46 -0.44 -0.13 0.00 -2.53 0.00 0.00 39.78 37.14 2hyb n ASN 5408CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2hyb s LYS 5409N -1.85 1.14 0.27 -3.83 3.01 -1.26 -2.80 119.74 114.42 2hyb s LYS 5409Ca 0.38 -1.02 -0.31 0.00 -1.01 0.00 0.00 55.97 54.01 2hyb s LYS 5409Cb 0.26 -1.30 -0.12 0.00 -1.01 0.00 0.00 37.83 35.66 2hyb s LYS 5409CO 0.16 0.31 1.54 0.45 0.51 0.00 0.00 175.35 178.32 2hyb n SER 5410N 1.43 3.48 0.00 2.83 2.88 -1.10 -4.05 113.62 119.10 2hyb n SER 5410Ca -0.19 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.58 2hyb n SER 5410Cb 0.54 -1.54 0.38 0.00 -0.75 0.00 0.00 64.21 62.84 2hyb n SER 5410CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2hyb n PRO 5411N 2.18 0.00 0.01 -1.46 -0.04 -1.26 -0.85 135.00 133.57 2hyb n PRO 5411Ca 0.10 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2hyb n PRO 5411Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2hyb n PRO 5411CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2hyb n PHE 5412N -1.50 0.08 -0.03 0.54 3.01 -1.26 -4.42 117.46 113.89 2hyb n PHE 5412Ca 0.04 0.02 -0.04 0.00 1.01 0.00 0.00 57.45 58.49 2hyb n PHE 5412Cb 0.21 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 2hyb n PHE 5412CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2hyb n GLU 5413N -1.68 1.96 -4.35 -1.08 2.13 -0.99 -5.07 120.64 111.56 2hyb n GLU 5413Ca 0.03 0.01 -0.23 0.00 0.66 0.00 0.00 57.16 57.63 2hyb n GLU 5413Cb 0.38 -1.15 -0.12 0.00 0.27 0.00 0.00 31.44 30.82 2hyb n GLU 5413CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hyb s ARG 5414N -2.14 1.30 0.00 5.31 3.00 -0.03 -5.03 118.95 121.36 2hyb s ARG 5414Ca -0.06 -1.39 0.17 0.00 0.00 0.00 0.00 55.73 54.46 2hyb s ARG 5414Cb 0.02 -1.47 0.61 0.00 0.00 0.00 0.00 34.95 34.11 2hyb s ARG 5414CO 0.21 0.31 1.45 0.27 0.00 0.00 0.00 175.30 177.55 2hyb n ASN 5415N 0.44 1.64 -0.22 0.23 6.94 -1.26 -4.36 115.26 118.68 2hyb n ASN 5415Ca -0.14 -1.79 -0.01 0.00 -0.02 0.00 0.00 54.58 52.61 2hyb n ASN 5415Cb 0.56 -0.14 0.10 0.00 -2.36 0.00 0.00 39.78 37.94 2hyb n ASN 5415CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2hyb h SER 5416N 2.04 0.46 -0.24 0.53 0.02 -1.89 -1.64 113.55 112.82 2hyb h SER 5416Ca 0.00 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2hyb h SER 5416Cb 0.45 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2hyb h SER 5416CO 0.00 0.29 0.13 0.25 -1.14 0.00 0.00 176.83 176.36 2hyb h LEU 5417N 0.60 0.21 0.59 5.07 7.12 -1.85 0.56 115.31 127.61 2hyb h LEU 5417Ca 0.29 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 2hyb h LEU 5417Cb 0.23 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2hyb h LEU 5417CO -0.21 0.16 -0.34 -0.33 -0.13 0.00 0.00 178.44 177.59 2hyb h GLU 5418N 0.28 -0.84 -0.67 1.25 5.08 -1.80 -1.42 114.58 116.46 2hyb h GLU 5418Ca 0.10 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2hyb h GLU 5418Cb 0.01 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2hyb h GLU 5418CO -0.05 -0.56 0.18 0.77 -1.00 0.00 0.00 179.01 178.34 2hyb h SER 5419N -0.87 0.07 -0.33 1.42 0.02 -1.13 -0.88 113.55 111.85 2hyb h SER 5419Ca -0.07 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2hyb h SER 5419Cb 0.70 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2hyb h SER 5419CO 0.09 0.02 0.20 0.00 -1.14 0.00 0.00 176.83 176.00 2hyb h LEU 5421N 0.41 0.00 -0.30 0.00 3.38 -0.57 -1.03 115.31 117.20 2hyb h LEU 5421Ca 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 2hyb h LEU 5421Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2hyb h LEU 5421CO -0.06 0.15 -0.81 0.50 0.09 0.00 0.00 178.44 178.31 2hyb h LYS 5422N 0.00 0.41 0.00 1.13 3.64 -0.69 -3.34 116.57 117.72 2hyb h LYS 5422Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2hyb h LYS 5422Cb 0.55 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2hyb h LYS 5422CO 0.02 1.03 -1.15 1.19 -2.27 0.00 0.00 179.45 178.27 2hyb n PHE 5423N -3.80 0.00 -2.07 1.91 3.01 -0.99 -4.94 117.46 110.58 2hyb n PHE 5423Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 2hyb n PHE 5423Cb 0.76 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 2hyb n PHE 5423CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hyb s ALA 5424N -2.86 3.65 0.51 4.37 0.00 -0.41 -4.99 121.76 122.02 2hyb s ALA 5424Ca 0.02 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.19 2hyb s ALA 5424Cb 0.13 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.68 2hyb s ALA 5424CO 0.74 -0.88 0.62 0.95 0.00 0.00 0.00 175.76 177.19 2hyb s THR 5425N 1.95 2.38 0.12 0.00 -4.23 -1.26 -4.96 115.64 109.63 2hyb s THR 5425Ca 0.68 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.85 2hyb s THR 5425Cb -0.37 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.85 2hyb s THR 5425CO 0.30 0.00 0.48 1.21 -0.54 0.00 0.00 174.62 176.07 2hyb n GLU 5426N -1.98 0.00 -0.73 3.99 4.07 -1.26 -1.38 120.64 123.35 2hyb n GLU 5426Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2hyb n GLU 5426Cb 0.61 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 31.16 2hyb n GLU 5426CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hyb n GLY 5427N 1.41 0.20 3.89 8.31 0.00 -0.73 -4.82 105.19 113.45 2hyb n GLY 5427Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2hyb n GLY 5427CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hyb s ALA 5428N -1.57 3.07 0.12 4.61 0.00 -0.48 -4.20 121.76 123.31 2hyb s ALA 5428Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2hyb s ALA 5428Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2hyb s ALA 5428CO 0.00 -0.91 -0.11 -1.12 0.00 0.00 0.00 175.76 173.63 2hyb s SER 5429N -4.29 4.32 -0.05 0.00 0.01 -0.66 -2.18 113.70 110.85 2hyb s SER 5429Ca 0.56 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2hyb s SER 5429Cb -0.11 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.35 2hyb s SER 5429CO 0.50 0.16 -0.11 -0.69 0.41 0.00 0.00 173.24 173.51 2hyb s VAL 5430N -1.30 1.02 -0.16 3.43 1.01 0.14 -0.66 120.40 123.88 2hyb s VAL 5430Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2hyb s VAL 5430Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2hyb s VAL 5430CO 0.14 0.32 -0.20 -0.22 0.00 0.00 0.00 175.10 175.13 2hyb s LEU 5431N 0.49 2.16 -0.30 3.92 2.96 0.42 -0.40 118.68 127.94 2hyb s LEU 5431Ca -0.10 -0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 53.06 2hyb s LEU 5431Cb -0.13 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2hyb s LEU 5431CO 0.02 0.04 0.31 -0.76 -1.32 0.00 0.00 176.35 174.65 2hyb s LEU 5432N 1.06 4.18 0.34 -0.68 1.43 0.18 -1.80 118.68 123.39 2hyb s LEU 5432Ca -0.01 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2hyb s LEU 5432Cb -0.14 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2hyb s LEU 5432CO -0.07 -0.20 0.24 0.72 0.23 0.00 0.00 176.35 177.27 2hyb s PHE 5433N 1.95 1.73 0.00 0.29 -0.71 -0.95 -1.05 117.98 119.24 2hyb s PHE 5433Ca 0.11 -1.58 0.00 0.00 -1.04 0.00 0.00 56.93 54.42 2hyb s PHE 5433Cb -0.16 -0.79 0.00 0.00 -1.21 0.00 0.00 43.02 40.86 2hyb s PHE 5433CO 0.11 -0.76 0.00 0.39 -1.34 0.00 0.00 175.22 173.62 2hyb n GLU 5434N -0.66 0.00 0.00 1.99 1.02 -1.26 0.94 120.64 122.68 2hyb n GLU 5434Ca 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 2hyb n GLU 5434Cb 0.63 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.14 2hyb n GLU 5434CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2hyb n ASP 5435N -1.30 0.00 0.01 1.62 10.43 -1.12 -1.95 116.55 124.24 2hyb n ASP 5435Ca 0.00 0.26 0.10 0.00 2.57 0.00 0.00 54.79 57.72 2hyb n ASP 5435Cb 0.00 -0.31 0.43 0.00 1.84 0.00 0.00 41.12 43.08 2hyb n ASP 5435CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hyb n GLY 5436N -0.98 -1.21 0.21 0.44 0.00 0.27 -2.69 105.19 101.22 2hyb n GLY 5436Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2hyb n GLY 5436CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hyb h ILE 5437N 0.00 0.96 -0.15 -0.61 5.03 -1.44 -2.88 117.51 118.42 2hyb h ILE 5437Ca 0.00 -0.18 0.04 0.00 -0.12 0.00 0.00 64.86 64.60 2hyb h ILE 5437Cb 0.36 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.53 2hyb h ILE 5437CO 0.00 0.10 0.63 1.88 -0.68 0.00 0.00 178.15 180.08 2hyb h TYR 5438N 0.53 0.00 0.00 1.37 -1.99 -1.83 0.43 116.97 115.47 2hyb h TYR 5438Ca 0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2hyb h TYR 5438Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2hyb h TYR 5438CO -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.06 2hyb n ALA 5439N -1.86 2.36 0.56 3.88 0.00 -1.09 -2.71 120.51 121.65 2hyb n ALA 5439Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2hyb n ALA 5439Cb 0.71 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.83 2hyb n ALA 5439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hyb n ALA 5440N -1.36 3.05 -2.25 0.00 0.00 0.15 -4.88 120.51 115.21 2hyb n ALA 5440Ca 0.11 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2hyb n ALA 5440Cb 0.26 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2hyb n ALA 5440CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hyb s LEU 5441N -4.16 4.31 0.37 0.00 1.43 -1.10 -0.69 118.68 118.85 2hyb s LEU 5441Ca 0.05 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.96 2hyb s LEU 5441Cb 0.14 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.70 2hyb s LEU 5441CO 0.74 -0.70 1.38 0.00 0.23 0.00 0.00 176.35 178.00 2hyb s ALA 5442N 2.37 3.45 0.00 4.21 0.00 -0.71 -3.17 121.76 127.91 2hyb s ALA 5442Ca 0.63 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2hyb s ALA 5442Cb -0.31 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2hyb s ALA 5442CO 0.26 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2hyb n GLY 5443N 0.63 0.80 3.93 0.00 0.00 -1.26 -4.99 105.19 104.31 2hyb n GLY 5443Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2hyb n GLY 5443CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hyb s THR 5444N -3.19 2.72 -0.49 2.61 -4.23 -1.19 -4.94 115.64 106.93 2hyb s THR 5444Ca 0.00 -0.25 0.11 0.00 -1.18 0.00 0.00 61.69 60.37 2hyb s THR 5444Cb 0.00 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.82 2hyb s THR 5444CO 0.00 -0.13 1.31 -1.14 -0.54 0.00 0.00 174.62 174.12 2hyb n ARG 5445N -2.75 0.07 -0.09 3.99 0.63 -1.26 -1.72 116.66 115.53 2hyb n ARG 5445Ca 0.07 0.55 0.07 0.00 -0.92 0.00 0.00 57.85 57.62 2hyb n ARG 5445Cb 0.60 -1.79 0.11 0.00 0.45 0.00 0.00 32.46 31.83 2hyb n ARG 5445CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2hyb n VAL 5446N -1.88 1.64 -0.21 5.15 0.24 -1.26 -4.72 118.33 117.29 2hyb n VAL 5446Ca -0.01 -1.82 -0.04 0.00 -2.04 0.00 0.00 64.34 60.43 2hyb n VAL 5446Cb 0.07 -0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.50 2hyb n VAL 5446CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2hyb h GLU 5447N 0.27 0.68 0.45 7.34 4.81 -1.63 -2.06 114.58 124.43 2hyb h GLU 5447Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2hyb h GLU 5447Cb 0.89 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2hyb h GLU 5447CO 0.02 0.45 -0.42 1.03 -0.73 0.00 0.00 179.01 179.37 2hyb h SER 5448N 0.70 -1.12 -0.22 1.04 0.87 -1.84 0.16 113.55 113.14 2hyb h SER 5448Ca 0.25 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2hyb h SER 5448Cb 0.05 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2hyb h SER 5448CO -0.11 -0.58 -0.00 0.06 -0.53 0.00 0.00 176.83 175.67 2hyb h GLN 5449N -0.87 0.51 -0.30 2.24 3.07 -1.90 0.21 115.11 118.07 2hyb h GLN 5449Ca -0.04 -0.11 -0.05 0.00 0.09 0.00 0.00 58.65 58.54 2hyb h GLN 5449Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 2hyb h GLN 5449CO -0.05 0.54 -0.00 0.28 0.09 0.00 0.00 178.83 179.69 2hyb h VAL 5450N 0.49 1.26 -0.42 1.86 2.07 -1.10 -2.29 116.25 118.12 2hyb h VAL 5450Ca 0.11 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2hyb h VAL 5450Cb 0.32 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2hyb h VAL 5450CO 0.01 0.31 0.14 0.74 0.02 0.00 0.00 177.57 178.79 2hyb h THR 5451N 0.33 1.21 -0.70 2.57 2.02 -0.35 -2.54 112.91 115.45 2hyb h THR 5451Ca 0.09 -0.68 0.15 0.00 0.77 0.00 0.00 66.41 66.74 2hyb h THR 5451Cb 0.44 0.87 -0.12 0.00 -1.74 0.00 0.00 68.15 67.60 2hyb h THR 5451CO 0.02 0.24 0.01 -0.08 0.37 0.00 0.00 175.52 176.08 2hyb h GLU 5452N 0.53 0.11 -0.72 6.66 4.22 -0.42 0.13 114.58 125.09 2hyb h GLU 5452Ca 0.14 -0.01 0.16 0.00 0.08 0.00 0.00 59.36 59.73 2hyb h GLU 5452Cb 0.23 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2hyb h GLU 5452CO -0.01 0.07 0.49 0.00 -2.18 0.00 0.00 179.01 177.39 2hyb h ALA 5453N 1.64 2.26 0.00 2.92 0.00 -0.97 -0.34 119.26 124.77 2hyb h ALA 5453Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2hyb h ALA 5453Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2hyb h ALA 5453CO -0.60 -0.46 0.28 1.28 0.00 0.00 0.00 179.25 179.75 2hyb n LEU 5454N -4.44 0.28 0.04 0.00 4.77 0.46 -1.34 117.00 116.76 2hyb n LEU 5454Ca 0.14 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.61 2hyb n LEU 5454Cb 0.59 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2hyb n LEU 5454CO 0.34 -0.60 0.50 1.23 -1.33 0.00 0.00 177.39 177.53 2hyb h GLY 5455N 0.00 -0.34 0.00 -0.72 0.00 -1.18 -3.37 103.07 97.46 2hyb h GLY 5455Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2hyb h GLY 5455CO 0.00 -0.12 -1.13 0.58 0.00 0.00 0.00 176.54 175.87 2hyb n LYS 5456N -2.40 0.08 -3.81 4.80 0.00 -0.91 -5.00 118.16 110.92 2hyb n LYS 5456Ca -0.01 -0.03 -0.21 0.00 -0.00 0.00 0.00 58.31 58.06 2hyb n LYS 5456Cb 0.05 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.53 2hyb n LYS 5456CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hyb s LEU 5457N -3.20 3.52 -0.24 -5.58 1.43 -0.45 -1.78 118.68 112.38 2hyb s LEU 5457Ca 0.06 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2hyb s LEU 5457Cb 0.16 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2hyb s LEU 5457CO 0.87 -0.40 -0.01 -0.54 0.23 0.00 0.00 176.35 176.51 2hyb s LYS 5458N -4.00 3.31 -0.08 1.70 1.02 -0.92 -4.55 119.74 116.22 2hyb s LYS 5458Ca 0.42 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 2hyb s LYS 5458Cb -0.05 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2hyb s LYS 5458CO 0.26 -0.26 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.92 2hyb s LEU 5459N 1.49 3.52 0.05 3.17 1.43 -1.26 -0.68 118.68 126.39 2hyb s LEU 5459Ca 0.05 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2hyb s LEU 5459Cb -0.15 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2hyb s LEU 5459CO -0.02 0.37 -0.07 -0.31 0.23 0.00 0.00 176.35 176.56 2hyb s TYR 5460N -0.88 0.64 -0.00 0.29 1.51 0.47 -1.41 117.35 117.96 2hyb s TYR 5460Ca 0.13 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 2hyb s TYR 5460Cb -0.11 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2hyb s TYR 5460CO 0.02 -0.12 -0.09 0.54 -1.11 0.00 0.00 175.55 174.79 2hyb s VAL 5461N -1.79 0.70 -0.43 0.71 0.11 -0.16 0.49 120.40 120.03 2hyb s VAL 5461Ca -0.07 -0.42 -0.28 0.00 -2.93 0.00 0.00 61.98 58.28 2hyb s VAL 5461Cb -0.07 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2hyb s VAL 5461CO -0.01 0.17 1.08 -0.22 -3.33 0.00 0.00 175.10 172.79 2hyb s LEU 5462N -0.28 3.78 0.19 2.54 2.96 -0.22 -1.60 118.68 126.06 2hyb s LEU 5462Ca 0.03 0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 54.29 2hyb s LEU 5462Cb -0.04 -3.47 0.14 0.00 0.50 0.00 0.00 46.19 43.32 2hyb s LEU 5462CO -0.00 -1.11 1.58 1.23 -1.32 0.00 0.00 176.35 176.73 2hyb h GLY 5463N 10.79 -0.07 0.02 7.98 0.00 0.64 -1.38 103.07 121.06 2hyb h GLY 5463Ca -0.23 0.44 0.22 0.00 0.00 0.00 0.00 47.33 47.77 2hyb h GLY 5463CO 1.08 -0.21 0.62 -2.55 0.00 0.00 0.00 176.54 175.49 2hyb h PRO 5464N -0.14 0.56 0.02 4.80 0.11 -1.93 -1.65 132.00 133.78 2hyb h PRO 5464Ca 0.25 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.10 2hyb h PRO 5464Cb 0.56 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2hyb h PRO 5464CO -0.72 0.37 -0.98 -0.44 -0.21 0.00 0.00 178.00 176.02 2hyb h ASP 5465N 0.58 0.49 -0.48 -2.05 3.32 -1.64 -2.10 116.42 114.53 2hyb h ASP 5465Ca 0.58 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2hyb h ASP 5465Cb 1.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2hyb h ASP 5465CO -0.35 1.22 0.25 -0.07 -1.72 0.00 0.00 179.24 178.57 2hyb h LEU 5466N 0.19 0.62 -0.41 1.55 3.38 -0.85 -2.49 115.31 117.29 2hyb h LEU 5466Ca -0.08 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 2hyb h LEU 5466Cb 1.63 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2hyb h LEU 5466CO 0.17 0.55 -0.31 0.11 0.09 0.00 0.00 178.44 179.05 2hyb h LYS 5467N 0.64 0.93 -0.52 1.13 1.57 -1.31 0.58 116.57 119.60 2hyb h LYS 5467Ca 0.17 -0.45 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2hyb h LYS 5467Cb 0.09 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2hyb h LYS 5467CO -0.02 1.11 0.35 0.00 -0.57 0.00 0.00 179.45 180.32 2hyb h ALA 5468N 0.80 1.94 -0.17 3.86 0.00 -1.19 0.55 119.26 125.05 2hyb h ALA 5468Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hyb h ALA 5468Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2hyb h ALA 5468CO 0.08 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.84 2hyb n ARG 5469N -4.47 1.96 -0.89 0.00 1.74 -0.95 -4.95 116.66 109.10 2hyb n ARG 5469Ca 0.07 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 2hyb n ARG 5469Cb 0.28 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2hyb n ARG 5469CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 5470N 1.25 1.26 3.00 -0.13 0.00 0.18 -5.09 105.19 105.67 2hyb n GLY 5470Ca 0.17 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 2hyb n GLY 5470CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hyb s PHE 5471N -2.05 1.00 0.63 1.61 0.40 0.16 -4.99 117.98 114.75 2hyb s PHE 5471Ca 0.00 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 2hyb s PHE 5471Cb 0.00 -0.72 0.05 0.00 0.51 0.00 0.00 43.02 42.85 2hyb s PHE 5471CO 0.00 -0.12 0.90 -1.54 0.70 0.00 0.00 175.22 175.17 2hyb s SER 5472N 0.25 5.06 0.49 1.36 1.04 -1.26 -2.98 113.70 117.67 2hyb s SER 5472Ca -0.04 0.28 0.17 0.00 0.48 0.00 0.00 55.95 56.83 2hyb s SER 5472Cb -0.09 -1.05 1.20 0.00 0.10 0.00 0.00 66.02 66.17 2hyb s SER 5472CO 0.01 -1.37 2.07 0.44 0.98 0.00 0.00 173.24 175.37 2hyb h ASP 5473N -0.29 0.13 -0.27 7.02 3.45 -1.97 -1.88 116.42 122.62 2hyb h ASP 5473Ca -0.44 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.02 2hyb h ASP 5473Cb 1.30 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 2hyb h ASP 5473CO 0.57 0.09 0.17 -0.33 -1.57 0.00 0.00 179.24 178.16 2hyb h GLU 5474N 0.15 0.39 0.00 3.56 4.39 -2.02 -1.16 114.58 119.88 2hyb h GLU 5474Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2hyb h GLU 5474Cb 0.33 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2hyb h GLU 5474CO -0.02 0.28 0.00 0.54 -1.16 0.00 0.00 179.01 178.65 2hyb n ARG 5475N -4.47 0.19 -3.10 2.33 5.12 -0.70 -4.79 116.66 111.23 2hyb n ARG 5475Ca 0.01 0.16 -0.35 0.00 -1.93 0.00 0.00 57.85 55.74 2hyb n ARG 5475Cb 0.09 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.83 2hyb n ARG 5475CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hyb s VAL 5476N -2.62 4.60 0.14 1.55 1.01 -0.44 -1.74 120.40 122.90 2hyb s VAL 5476Ca 0.13 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 2hyb s VAL 5476Cb 0.10 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2hyb s VAL 5476CO 0.23 0.03 1.77 -0.63 0.00 0.00 0.00 175.10 176.49 2hyb s ILE 5477N -1.74 2.50 0.13 2.22 1.01 0.14 -4.67 121.20 120.78 2hyb s ILE 5477Ca 0.48 0.13 -0.34 0.00 0.00 0.00 0.00 60.65 60.93 2hyb s ILE 5477Cb -0.14 -3.08 -0.13 0.00 0.01 0.00 0.00 42.46 39.12 2hyb s ILE 5477CO 0.19 0.00 1.65 -2.65 0.00 0.00 0.00 174.94 174.14 2hyb n PRO 5478N 5.19 2.25 0.00 2.79 -0.02 -1.26 -2.05 135.00 141.89 2hyb n PRO 5478Ca 0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2hyb n PRO 5478Cb 0.38 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2hyb n PRO 5478CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hyb n GLY 5479N 3.66 1.68 3.61 -1.23 0.00 -1.26 -5.05 105.19 106.59 2hyb n GLY 5479Ca 0.18 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2hyb n GLY 5479CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 5480N -1.21 4.35 0.34 -0.61 1.01 -0.87 -4.69 121.20 119.53 2hyb s ILE 5480Ca 0.00 1.41 -0.27 0.00 0.00 0.00 0.00 60.65 61.79 2hyb s ILE 5480Cb 0.00 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 2hyb s ILE 5480CO 0.00 -0.77 1.15 -0.44 0.00 0.00 0.00 174.94 174.88 2hyb s SER 5481N 2.10 6.88 -0.21 3.58 0.01 -0.50 -4.81 113.70 120.75 2hyb s SER 5481Ca 0.46 2.34 -0.08 0.00 1.31 0.00 0.00 55.95 59.98 2hyb s SER 5481Cb -0.09 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2hyb s SER 5481CO 0.24 -0.42 0.09 -0.69 0.41 0.00 0.00 173.24 172.87 2hyb s VAL 5482N -1.30 4.85 0.21 3.43 1.01 -1.26 -0.99 120.40 126.35 2hyb s VAL 5482Ca 0.51 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.53 2hyb s VAL 5482Cb -0.32 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2hyb s VAL 5482CO 0.41 0.40 -0.04 0.68 0.00 0.00 0.00 175.10 176.55 2hyb s VAL 5483N 0.82 1.12 0.20 2.92 -7.23 -0.62 -4.87 120.40 112.73 2hyb s VAL 5483Ca 0.05 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2hyb s VAL 5483Cb -0.13 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.64 2hyb s VAL 5483CO 0.02 -0.46 0.15 -0.90 -0.31 0.00 0.00 175.10 173.60 2hyb n ASP 5484N -0.35 1.57 -0.32 4.85 5.68 -1.26 0.12 116.55 126.84 2hyb n ASP 5484Ca -0.07 -1.67 0.01 0.00 -0.50 0.00 0.00 54.79 52.56 2hyb n ASP 5484Cb 0.63 -0.02 0.19 0.00 -1.14 0.00 0.00 41.12 40.77 2hyb n ASP 5484CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2hyb h TYR 5485N 0.52 1.12 -0.83 2.11 -1.99 -1.99 0.81 116.97 116.72 2hyb h TYR 5485Ca -0.12 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2hyb h TYR 5485Cb 0.45 -0.38 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 2hyb h TYR 5485CO 0.00 0.66 0.53 0.00 -0.00 0.00 0.00 178.16 179.35 2hyb h ALA 5486N 1.46 1.06 -0.17 3.88 0.00 -1.99 0.19 119.26 123.68 2hyb h ALA 5486Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hyb h ALA 5486Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2hyb h ALA 5486CO -0.10 0.49 0.01 0.78 0.00 0.00 0.00 179.25 180.43 2hyb h GLY 5487N 1.13 0.31 -0.13 0.00 0.00 -1.31 -1.86 103.07 101.21 2hyb h GLY 5487Ca 0.30 -0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.54 2hyb h GLY 5487CO -0.06 0.20 -0.08 -2.75 0.00 0.00 0.00 176.54 173.85 2hyb h PHE 5488N 0.06 -0.19 -0.50 5.60 -0.00 0.11 0.19 116.94 122.21 2hyb h PHE 5488Ca 0.05 0.05 0.06 0.00 -0.00 0.00 0.00 57.97 58.13 2hyb h PHE 5488Cb 0.34 0.18 -0.06 0.00 -0.00 0.00 0.00 35.95 36.42 2hyb h PHE 5488CO 0.03 -0.22 0.18 0.28 -0.00 0.00 0.00 178.31 178.58 2hyb h VAL 5489N 0.05 0.84 -0.30 1.41 2.07 -0.22 -1.79 116.25 118.31 2hyb h VAL 5489Ca 0.30 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2hyb h VAL 5489Cb 0.48 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2hyb h VAL 5489CO -0.58 0.07 0.19 0.44 0.02 0.00 0.00 177.57 177.71 2hyb h ASP 5490N 0.37 0.35 -0.05 0.57 3.32 0.12 -2.02 116.42 119.08 2hyb h ASP 5490Ca 0.24 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 2hyb h ASP 5490Cb 0.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2hyb h ASP 5490CO -0.23 0.27 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.21 2hyb h LEU 5491N 0.41 0.50 -0.37 1.55 3.38 -0.21 -1.07 115.31 119.50 2hyb h LEU 5491Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2hyb h LEU 5491Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2hyb h LEU 5491CO -0.02 0.77 0.00 0.71 0.09 0.00 0.00 178.44 179.98 2hyb h THR 5492N 0.43 0.00 0.00 0.22 1.35 -1.11 -2.72 112.91 111.08 2hyb h THR 5492Ca 0.06 -0.68 -0.32 0.00 -0.55 0.00 0.00 66.41 64.91 2hyb h THR 5492Cb 0.71 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.73 2hyb h THR 5492CO 0.05 0.00 -1.97 0.35 -0.25 0.00 0.00 175.52 173.71 2hyb n THR 5493N -2.79 1.53 0.09 6.82 -2.24 -1.06 -4.32 114.28 112.31 2hyb n THR 5493Ca 0.04 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 2hyb n THR 5493Cb 0.43 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.74 2hyb n THR 5493CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2hyb h GLU 5494N 0.00 -0.23 -7.33 -0.78 5.08 -1.20 -3.44 114.58 106.69 2hyb h GLU 5494Ca -0.39 0.02 -0.43 0.00 -1.00 0.00 0.00 59.36 57.56 2hyb h GLU 5494Cb 2.10 0.05 0.18 0.00 0.50 0.00 0.00 28.75 31.59 2hyb h GLU 5494CO 0.06 0.08 0.13 0.00 -1.00 0.00 0.00 179.01 178.28 2hyb n ASP 5496N -4.60 0.33 -3.85 0.00 10.43 0.17 -4.92 116.55 114.11 2hyb n ASP 5496Ca 0.08 0.15 -0.11 0.00 2.57 0.00 0.00 54.79 57.48 2hyb n ASP 5496Cb 0.58 0.70 -0.10 0.00 1.84 0.00 0.00 41.12 44.14 2hyb n ASP 5496CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2hyb s THR 5497N -2.65 0.08 -0.13 -3.53 2.01 -0.57 -5.04 115.64 105.81 2hyb s THR 5497Ca -0.08 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 2hyb s THR 5497Cb 0.07 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 2hyb s THR 5497CO 0.83 -0.36 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 2hyb s VAL 5498N -1.37 3.83 -0.17 3.82 1.01 -1.26 -0.66 120.40 125.60 2hyb s VAL 5498Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2hyb s VAL 5498Cb -0.07 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2hyb s VAL 5498CO 0.02 0.52 -0.09 -1.58 0.00 0.00 0.00 175.10 173.97 2hyb s GLN 5499N 0.09 1.81 -0.12 2.72 0.74 -0.68 -4.95 119.66 119.27 2hyb s GLN 5499Ca -0.01 -0.63 -0.21 0.00 0.05 0.00 0.00 55.36 54.56 2hyb s GLN 5499Cb -0.14 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 2hyb s GLN 5499CO 0.03 -0.38 0.61 0.00 -0.55 0.00 0.00 175.29 175.00 2hyb s ALA 5500N 1.52 3.44 -0.79 1.58 0.00 -1.26 -1.44 121.76 124.82 2hyb s ALA 5500Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 2hyb s ALA 5500Cb -0.15 -2.87 0.21 0.00 0.00 0.00 0.00 23.12 20.30 2hyb s ALA 5500CO -0.08 -0.22 0.73 -1.58 0.00 0.00 0.00 175.76 174.60 2hyb s TRP 5501N 1.12 3.69 -2.00 0.00 0.52 0.13 -4.92 118.94 117.48 2hyb s TRP 5501Ca 0.31 -1.91 0.27 0.00 0.02 0.00 0.00 56.10 54.79 2hyb s TRP 5501Cb -0.16 -3.81 1.59 0.00 -1.15 0.00 0.00 33.47 29.94 2hyb s TRP 5501CO 0.13 -0.99 1.94 1.28 0.02 0.00 0.00 176.95 179.33