#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsn h ARG 299 N 0.00 0.48 -4.91 0.54 2.43 -1.99 -3.43 114.38 107.50 3hsn h ARG 299 Ca 0.00 -0.23 -0.58 0.00 -0.81 0.00 0.00 59.98 58.36 3hsn h ARG 299 Cb 0.00 -0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.22 3hsn h ARG 299 CO 0.00 0.79 -0.84 -0.06 -1.51 0.00 0.00 179.97 178.35 3hsn s PHE 300 N -4.26 1.87 -0.08 2.20 0.08 -1.26 -4.51 117.98 112.02 3hsn s PHE 300 Ca -0.07 -0.71 0.04 0.00 0.12 0.00 0.00 56.93 56.32 3hsn s PHE 300 Cb 0.13 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3hsn s PHE 300 CO 0.81 -0.31 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.89 3hsn s LEU 301 N 0.48 1.98 -0.03 -0.37 1.43 -0.81 -4.96 118.68 116.40 3hsn s LEU 301 Ca -0.15 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.38 3hsn s LEU 301 Cb -0.16 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3hsn s LEU 301 CO 0.05 0.15 0.28 -0.54 0.23 0.00 0.00 176.35 176.53 3hsn s LYS 302 N 0.27 3.66 0.06 1.70 -0.14 -1.26 0.26 119.74 124.29 3hsn s LYS 302 Ca -0.13 0.09 0.09 0.00 -1.36 0.00 0.00 55.97 54.65 3hsn s LYS 302 Cb -0.16 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3hsn s LYS 302 CO 0.06 0.70 -0.24 0.14 -0.76 0.00 0.00 175.35 175.25 3hsn s VAL 303 N -1.15 1.98 -0.03 3.17 -7.23 -0.26 -4.97 120.40 111.93 3hsn s VAL 303 Ca 0.23 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 3hsn s VAL 303 Cb -0.14 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3hsn s VAL 303 CO 0.11 0.23 -0.26 -0.75 -0.31 0.00 0.00 175.10 174.13 3hsn s LYS 304 N -1.42 2.18 -0.28 4.82 2.20 -1.26 -0.40 119.74 125.58 3hsn s LYS 304 Ca 0.10 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.64 3hsn s LYS 304 Cb -0.10 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 3hsn s LYS 304 CO 0.03 0.53 0.37 1.21 -0.36 0.00 0.00 175.35 177.14 3hsn s ASN 305 N -0.54 6.24 0.06 1.43 3.84 -0.29 -1.73 114.94 123.94 3hsn s ASN 305 Ca 0.08 0.23 0.28 0.00 0.21 0.00 0.00 52.86 53.66 3hsn s ASN 305 Cb -0.11 -2.21 1.09 0.00 -0.55 0.00 0.00 41.25 39.47 3hsn s ASN 305 CO -0.00 -0.21 1.87 0.79 -2.79 0.00 0.00 177.10 176.76 3hsn n TRP 306 N 5.35 0.27 -0.07 0.43 7.02 -0.52 0.38 117.44 130.29 3hsn n TRP 306 Ca -0.08 0.08 -0.14 0.00 -1.02 0.00 0.00 57.50 56.33 3hsn n TRP 306 Cb 0.51 -0.62 -0.13 0.00 -2.42 0.00 0.00 31.31 28.65 3hsn n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3hsn h GLU 307 N 0.00 0.00 0.00 -0.99 4.81 -1.94 -3.40 114.58 113.05 3hsn h GLU 307 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hsn h GLU 307 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3hsn h GLU 307 CO 0.00 0.99 -1.08 0.25 -0.73 0.00 0.00 179.01 178.43 3hsn n THR 308 N -4.61 0.00 -1.12 0.32 -2.24 -1.17 -4.98 114.28 100.48 3hsn n THR 308 Ca -0.11 -0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 3hsn n THR 308 Cb 0.48 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 3hsn n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hsn n ASP 309 N -1.57 -5.85 -4.72 3.42 9.92 0.16 -4.98 116.55 112.94 3hsn n ASP 309 Ca 0.03 0.11 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 3hsn n ASP 309 Cb 0.35 -3.75 -0.03 0.00 -0.64 0.00 0.00 41.12 37.04 3hsn n ASP 309 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hsn s VAL 310 N -1.36 2.76 -0.12 2.53 1.01 -1.24 -4.80 120.40 119.19 3hsn s VAL 310 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 3hsn s VAL 310 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3hsn s VAL 310 CO 0.00 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.39 3hsn s VAL 311 N 1.24 3.70 0.13 2.92 1.01 -1.26 -1.14 120.40 127.00 3hsn s VAL 311 Ca 0.69 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3hsn s VAL 311 Cb -0.42 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3hsn s VAL 311 CO 0.31 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 175.01 3hsn s LEU 312 N -0.08 2.72 -0.19 3.92 1.43 0.47 -4.96 118.68 121.99 3hsn s LEU 312 Ca 0.01 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3hsn s LEU 312 Cb -0.13 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3hsn s LEU 312 CO 0.03 0.17 -0.09 -0.89 0.23 0.00 0.00 176.35 175.79 3hsn s THR 313 N -1.22 3.05 -0.23 5.49 2.01 -1.26 -1.10 115.64 122.38 3hsn s THR 313 Ca 0.19 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 3hsn s THR 313 Cb -0.10 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 3hsn s THR 313 CO 0.11 0.47 0.15 -0.62 -0.69 0.00 0.00 174.62 174.03 3hsn s ASP 314 N 1.19 6.08 -0.01 3.53 -1.08 0.14 -4.67 116.67 121.85 3hsn s ASP 314 Ca 0.02 0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.19 3hsn s ASP 314 Cb -0.14 -2.09 -0.03 0.00 -1.46 0.00 0.00 42.92 39.19 3hsn s ASP 314 CO -0.03 0.08 0.04 0.35 0.52 0.00 0.00 175.17 176.14 3hsn n THR 315 N 4.16 0.02 0.01 1.71 -2.24 0.14 -1.92 114.28 116.17 3hsn n THR 315 Ca -0.15 -0.06 0.22 0.00 -2.27 0.00 0.00 64.05 61.78 3hsn n THR 315 Cb 0.52 0.23 0.73 0.00 -2.10 0.00 0.00 70.33 69.71 3hsn n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hsn h LEU 316 N 0.00 0.00 -2.52 3.22 5.85 -1.57 -2.13 115.31 118.15 3hsn h LEU 316 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hsn h LEU 316 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hsn h LEU 316 CO 0.00 0.00 0.00 1.12 -0.34 0.00 0.00 178.44 179.22 3hsn h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -1.23 115.15 115.39 3hsn h HIS 317 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 3hsn h HIS 317 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 3hsn h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3hsn h LEU 318 N 0.00 0.00 -0.79 6.12 3.38 -1.74 -1.93 115.31 120.35 3hsn h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hsn h LEU 318 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hsn h LEU 318 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3hsn n LYS 319 N -3.03 1.54 -2.41 1.13 4.76 -0.46 -4.92 118.16 114.77 3hsn n LYS 319 Ca 0.00 -0.79 -0.38 0.00 -2.87 0.00 0.00 58.31 54.28 3hsn n LYS 319 Cb 0.29 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3hsn n LYS 319 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hsn s SER 320 N -1.96 6.75 0.06 4.39 1.04 -0.73 -4.86 113.70 118.39 3hsn s SER 320 Ca 0.39 2.24 0.00 0.00 0.48 0.00 0.00 55.95 59.06 3hsn s SER 320 Cb 0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3hsn s SER 320 CO 0.33 -0.51 0.00 0.35 0.98 0.00 0.00 173.24 174.39 3hsn n THR 321 N 0.26 0.78 -0.94 2.02 -2.24 -1.15 -5.04 114.28 107.95 3hsn n THR 321 Ca 0.03 0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.77 3hsn n THR 321 Cb 0.47 -1.55 0.17 0.00 -2.10 0.00 0.00 70.33 67.32 3hsn n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hsn s LEU 322 N -6.63 2.01 0.17 3.22 1.43 -1.25 -5.04 118.68 112.58 3hsn s LEU 322 Ca 0.00 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3hsn s LEU 322 Cb 0.00 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3hsn s LEU 322 CO 0.00 -3.13 0.21 -1.61 0.23 0.00 0.00 176.35 172.06 3hsn s GLU 323 N -4.76 3.15 -0.06 1.70 2.02 -1.26 -4.60 118.70 114.88 3hsn s GLU 323 Ca 0.65 -0.77 0.13 0.00 0.02 0.00 0.00 54.97 55.01 3hsn s GLU 323 Cb -0.21 -2.78 -0.23 0.00 0.10 0.00 0.00 34.13 31.01 3hsn s GLU 323 CO 0.59 0.49 0.58 0.25 0.02 0.00 0.00 175.26 177.19 3hsn n THR 324 N -0.56 1.58 0.00 3.63 -2.24 -1.26 -4.94 114.28 110.50 3hsn n THR 324 Ca -0.08 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3hsn n THR 324 Cb 0.55 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3hsn n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsn n GLY 325 N 1.58 3.00 3.89 3.38 0.00 -1.26 -4.78 105.19 111.00 3hsn n GLY 325 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3hsn n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsn n THR 327 N -2.89 0.00 0.27 0.00 -2.24 -0.11 -4.99 114.28 104.33 3hsn n THR 327 Ca 0.06 -0.15 0.16 0.00 -2.27 0.00 0.00 64.05 61.85 3hsn n THR 327 Cb 0.57 0.08 0.71 0.00 -2.10 0.00 0.00 70.33 69.59 3hsn n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hsn h GLU 328 N 0.00 0.00 -0.00 -0.78 3.07 -2.06 -3.28 114.58 111.53 3hsn h GLU 328 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3hsn h GLU 328 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3hsn h GLU 328 CO 0.02 0.06 -0.35 0.72 -1.40 0.00 0.00 179.01 178.07 3hsn n HIS 329 N -3.22 0.00 -3.72 4.33 8.25 -1.26 -4.99 115.22 114.61 3hsn n HIS 329 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3hsn n HIS 329 Cb 0.29 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 3hsn n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3hsn s ILE 330 N -1.67 -0.02 -0.22 1.59 2.07 -1.24 -5.14 121.20 116.58 3hsn s ILE 330 Ca 0.04 0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.26 3hsn s ILE 330 Cb 0.06 -0.54 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3hsn s ILE 330 CO 0.32 0.03 0.13 0.00 -1.91 0.00 0.00 174.94 173.51 3hsn n MET 332 N 3.91 2.10 0.13 0.00 0.00 -1.26 -4.79 117.12 117.21 3hsn n MET 332 Ca -0.16 -2.99 0.10 0.00 0.00 0.00 0.00 57.70 54.66 3hsn n MET 332 Cb 0.52 -1.76 0.50 0.00 0.00 0.00 0.00 33.22 32.47 3hsn n MET 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hsn n GLY 333 N -0.97 -0.94 0.77 3.03 0.00 -1.26 -1.47 105.19 104.35 3hsn n GLY 333 Ca 0.25 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.50 3hsn n GLY 333 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hsn n SER 334 N -2.16 2.78 -4.69 1.61 3.41 -1.26 -4.80 113.62 108.51 3hsn n SER 334 Ca -0.00 -1.81 -0.42 0.00 -0.26 0.00 0.00 58.87 56.37 3hsn n SER 334 Cb 0.09 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3hsn n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hsn s ILE 335 N -1.20 4.82 0.09 -1.33 -1.09 -0.54 -4.97 121.20 116.97 3hsn s ILE 335 Ca 0.25 1.98 -0.19 0.00 -2.23 0.00 0.00 60.65 60.47 3hsn s ILE 335 Cb 0.15 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 3hsn s ILE 335 CO 0.21 0.05 1.54 -0.03 -1.23 0.00 0.00 174.94 175.48 3hsn h MET 336 N 7.04 0.42 -3.07 2.79 4.05 -1.92 -3.38 114.93 120.87 3hsn h MET 336 Ca -0.33 -0.12 -0.61 0.00 -0.28 0.00 0.00 59.70 58.35 3hsn h MET 336 Cb 1.16 -0.04 -0.40 0.00 -0.80 0.00 0.00 31.60 31.52 3hsn h MET 336 CO 0.83 0.57 -0.72 -0.51 0.23 0.00 0.00 176.91 177.30 3hsn s LEU 337 N -9.55 2.89 0.00 3.39 1.02 -1.26 -5.14 118.68 110.03 3hsn s LEU 337 Ca -0.14 -2.64 -0.01 0.00 0.02 0.00 0.00 54.13 51.37 3hsn s LEU 337 Cb 0.07 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3hsn s LEU 337 CO 0.74 -0.27 0.08 -0.81 0.02 0.00 0.00 176.35 176.11 3hsn n PRO 338 N 3.54 0.04 -4.28 1.29 -0.05 -1.26 -5.20 135.00 129.08 3hsn n PRO 338 Ca 0.08 -0.14 -0.21 0.00 -0.05 0.00 0.00 63.50 63.17 3hsn n PRO 338 Cb 0.34 -0.08 -0.12 0.00 -0.05 0.00 0.00 33.50 33.60 3hsn n PRO 338 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 3hsn s SER 339 N -1.31 2.37 0.74 3.54 0.01 -1.26 -5.02 113.70 112.77 3hsn s SER 339 Ca 0.05 -0.78 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 3hsn s SER 339 Cb -0.00 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.15 3hsn s SER 339 CO 0.03 -0.05 1.08 0.68 0.41 0.00 0.00 173.24 175.40 3hsn s VAL 348 N -1.79 3.50 0.31 3.43 -7.23 -1.26 -4.19 120.40 113.16 3hsn s VAL 348 Ca 0.10 0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 60.49 3hsn s VAL 348 Cb -0.07 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.48 3hsn s VAL 348 CO 0.05 -0.64 0.96 -0.13 -0.31 0.00 0.00 175.10 175.03 3hsn s ARG 349 N -5.17 4.59 0.58 4.82 0.52 -1.26 -5.07 118.95 117.96 3hsn s ARG 349 Ca 0.59 1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 57.14 3hsn s ARG 349 Cb -0.13 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3hsn s ARG 349 CO 0.54 0.28 0.90 0.95 0.02 0.00 0.00 175.30 177.99 3hsn s THR 350 N -1.52 4.05 0.25 0.02 -4.23 -1.26 -4.90 115.64 108.05 3hsn s THR 350 Ca 0.49 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.14 3hsn s THR 350 Cb -0.21 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.26 3hsn s THR 350 CO 0.27 -0.64 1.74 0.11 -0.54 0.00 0.00 174.62 175.56 3hsn h LYS 351 N -0.13 0.48 -0.70 3.99 1.57 -1.94 -0.75 116.57 119.08 3hsn h LYS 351 Ca -0.46 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3hsn h LYS 351 Cb 1.24 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3hsn h LYS 351 CO 0.61 0.32 0.45 0.22 -0.57 0.00 0.00 179.45 180.48 3hsn h ASP 352 N 0.49 0.76 -0.14 0.86 3.58 -1.98 -2.20 116.42 117.80 3hsn h ASP 352 Ca 0.43 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.74 3hsn h ASP 352 Cb 0.64 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 3hsn h ASP 352 CO -0.39 0.54 -0.37 1.56 -2.88 0.00 0.00 179.24 177.70 3hsn h GLN 353 N 0.90 0.65 0.04 0.28 4.20 -1.69 -3.37 115.11 116.12 3hsn h GLN 353 Ca 0.27 -0.32 -0.26 0.00 0.06 0.00 0.00 58.65 58.40 3hsn h GLN 353 Cb -0.04 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hsn h GLN 353 CO -0.08 0.92 -1.06 1.25 -0.67 0.00 0.00 178.83 179.18 3hsn h LEU 354 N 0.54 0.70 -0.22 1.46 5.85 -0.74 -3.33 115.31 119.57 3hsn h LEU 354 Ca 0.05 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3hsn h LEU 354 Cb 0.88 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 3hsn h LEU 354 CO 0.08 1.40 -0.31 -0.26 -0.34 0.00 0.00 178.44 179.01 3hsn h PHE 355 N 0.27 -0.87 -0.43 1.25 0.04 -1.56 -0.89 116.94 114.74 3hsn h PHE 355 Ca -0.12 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 3hsn h PHE 355 Cb 1.72 0.41 -0.02 0.00 2.20 0.00 0.00 35.95 40.26 3hsn h PHE 355 CO 0.08 -0.38 0.00 -1.00 -0.60 0.00 0.00 178.31 176.41 3hsn h PRO 356 N -0.34 0.70 -0.66 1.51 0.13 -1.78 -0.59 132.00 130.98 3hsn h PRO 356 Ca 0.12 -0.17 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3hsn h PRO 356 Cb 0.53 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 3hsn h PRO 356 CO -0.41 0.71 0.08 -0.07 -0.23 0.00 0.00 178.00 178.08 3hsn h LEU 357 N 0.66 1.08 -0.21 1.56 3.38 -1.59 -0.51 115.31 119.68 3hsn h LEU 357 Ca 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hsn h LEU 357 Cb 0.40 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hsn h LEU 357 CO 0.02 1.08 0.05 0.00 0.09 0.00 0.00 178.44 179.67 3hsn h ALA 358 N 1.04 0.27 -0.54 1.53 0.00 -0.83 -2.62 119.26 118.11 3hsn h ALA 358 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hsn h ALA 358 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hsn h ALA 358 CO 0.02 -0.08 0.23 -0.22 0.00 0.00 0.00 179.25 179.20 3hsn h LYS 359 N 0.15 0.81 -0.20 0.00 3.64 -0.92 -0.31 116.57 119.75 3hsn h LYS 359 Ca 0.07 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3hsn h LYS 359 Cb 0.27 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 3hsn h LYS 359 CO 0.00 0.70 -0.22 1.49 -2.27 0.00 0.00 179.45 179.15 3hsn h GLU 360 N 0.74 -0.23 -0.18 1.90 4.81 -1.14 0.60 114.58 121.08 3hsn h GLU 360 Ca 0.18 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3hsn h GLU 360 Cb 0.18 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3hsn h GLU 360 CO -0.02 -0.16 0.10 0.35 -0.73 0.00 0.00 179.01 178.56 3hsn h PHE 361 N -0.24 0.24 -0.22 0.92 3.57 -1.12 -2.17 116.94 117.92 3hsn h PHE 361 Ca 0.12 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3hsn h PHE 361 Cb 0.43 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3hsn h PHE 361 CO -0.35 0.22 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.64 3hsn h LEU 362 N 0.19 0.40 -0.94 0.59 3.38 -0.88 0.87 115.31 118.91 3hsn h LEU 362 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hsn h LEU 362 Cb 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hsn h LEU 362 CO -0.01 0.64 0.59 0.44 0.09 0.00 0.00 178.44 180.19 3hsn h ASP 363 N 0.36 1.10 -0.18 -0.43 3.32 -0.81 0.16 116.42 119.94 3hsn h ASP 363 Ca 0.06 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3hsn h ASP 363 Cb 0.61 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hsn h ASP 363 CO 0.04 0.82 0.03 1.56 -1.72 0.00 0.00 179.24 179.98 3hsn h GLN 364 N 1.28 0.29 0.44 3.56 4.20 -0.68 -0.87 115.11 123.33 3hsn h GLN 364 Ca 0.34 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 3hsn h GLN 364 Cb -0.10 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3hsn h GLN 364 CO -0.07 0.44 -0.25 -0.92 -0.67 0.00 0.00 178.83 177.37 3hsn h TYR 365 N 0.08 -0.64 -0.62 2.96 3.20 -0.72 -0.79 116.97 120.43 3hsn h TYR 365 Ca 0.05 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3hsn h TYR 365 Cb 0.29 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3hsn h TYR 365 CO 0.01 -0.39 0.20 1.88 -1.64 0.00 0.00 178.16 178.23 3hsn h TYR 366 N -0.64 0.97 -0.38 -3.82 0.05 -0.68 -1.66 116.97 110.80 3hsn h TYR 366 Ca -0.05 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.66 3hsn h TYR 366 Cb 0.52 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3hsn h TYR 366 CO -0.08 0.77 0.22 1.03 -1.05 0.00 0.00 178.16 179.06 3hsn h SER 367 N 0.91 0.35 -0.75 3.88 0.87 -1.10 -1.09 113.55 116.63 3hsn h SER 367 Ca 0.21 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.89 3hsn h SER 367 Cb 0.26 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3hsn h SER 367 CO -0.01 0.26 0.50 0.77 -0.53 0.00 0.00 176.83 177.81 3hsn h SER 368 N 0.45 0.50 -0.53 6.23 4.64 -0.20 -1.64 113.55 122.99 3hsn h SER 368 Ca 0.15 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hsn h SER 368 Cb 0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3hsn h SER 368 CO -0.07 0.28 0.00 2.30 -0.87 0.00 0.00 176.83 178.46 3hsn n ILE 369 N -4.50 0.71 -3.58 0.95 -5.35 -0.96 -4.95 119.36 101.69 3hsn n ILE 369 Ca 0.13 -0.72 -0.23 0.00 -0.27 0.00 0.00 62.75 61.66 3hsn n ILE 369 Cb 0.43 0.39 0.08 0.00 -1.74 0.00 0.00 39.64 38.80 3hsn n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hsn n LYS 370 N 1.10 -7.59 -0.76 6.28 5.02 -0.62 -4.91 118.16 116.68 3hsn n LYS 370 Ca 0.18 0.82 0.05 0.00 -2.02 0.00 0.00 58.31 57.34 3hsn n LYS 370 Cb 0.46 -5.86 0.08 0.00 -0.02 0.00 0.00 35.03 29.69 3hsn n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hsn n ARG 371 N -4.81 0.62 -1.86 1.97 5.12 -0.44 -5.04 116.66 112.22 3hsn n ARG 371 Ca -0.06 -2.16 -0.42 0.00 -1.93 0.00 0.00 57.85 53.28 3hsn n ARG 371 Cb 0.58 -0.80 -0.03 0.00 -1.16 0.00 0.00 32.46 31.06 3hsn n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3hsn s PHE 372 N -1.31 2.78 0.00 -1.55 2.19 -1.15 -2.05 117.98 116.89 3hsn s PHE 372 Ca 0.26 0.41 0.00 0.00 0.33 0.00 0.00 56.93 57.93 3hsn s PHE 372 Cb 0.26 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.96 3hsn s PHE 372 CO -0.06 -3.91 0.00 0.41 1.83 0.00 0.00 175.22 173.49 3hsn n GLY 373 N 3.92 0.89 3.68 13.12 0.00 -1.26 -5.02 105.19 120.52 3hsn n GLY 373 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hsn n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsn s SER 374 N -2.84 2.69 0.22 1.61 1.04 -0.87 -4.78 113.70 110.76 3hsn s SER 374 Ca 0.00 1.24 -0.07 0.00 0.48 0.00 0.00 55.95 57.60 3hsn s SER 374 Cb 0.00 -1.91 0.19 0.00 0.10 0.00 0.00 66.02 64.39 3hsn s SER 374 CO 0.00 -3.10 1.78 0.50 0.98 0.00 0.00 173.24 173.40 3hsn h LYS 375 N -1.87 1.14 -0.24 4.02 3.64 -1.96 -0.17 116.57 121.14 3hsn h LYS 375 Ca -0.54 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 58.68 3hsn h LYS 375 Cb 1.32 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 3hsn h LYS 375 CO 0.57 0.95 -0.20 0.00 -2.27 0.00 0.00 179.45 178.49 3hsn h ALA 376 N 1.18 -0.06 0.08 5.00 0.00 -1.92 0.18 119.26 123.73 3hsn h ALA 376 Ca 0.25 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3hsn h ALA 376 Cb 0.25 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3hsn h ALA 376 CO -0.02 -0.62 -0.25 1.25 0.00 0.00 0.00 179.25 179.61 3hsn h HIS 377 N -0.20 -0.68 -0.76 0.00 -0.00 -1.72 -2.14 115.15 109.64 3hsn h HIS 377 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3hsn h HIS 377 Cb 0.41 0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.08 3hsn h HIS 377 CO -0.36 -0.35 0.34 0.52 -0.00 0.00 0.00 177.93 178.08 3hsn h MET 378 N -0.44 1.12 -0.64 5.26 2.07 -0.49 -2.17 114.93 119.64 3hsn h MET 378 Ca 0.04 -0.18 -0.03 0.00 -2.07 0.00 0.00 59.70 57.46 3hsn h MET 378 Cb 0.48 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.99 3hsn h MET 378 CO -0.17 0.89 0.29 -0.44 1.07 0.00 0.00 176.91 178.55 3hsn h ASP 379 N 1.09 0.85 -0.38 1.22 3.32 -0.61 -1.96 116.42 119.95 3hsn h ASP 379 Ca 0.26 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3hsn h ASP 379 Cb 0.16 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3hsn h ASP 379 CO -0.03 0.76 0.19 -0.09 -1.72 0.00 0.00 179.24 178.35 3hsn h ARG 380 N 0.88 0.54 -0.25 3.56 9.65 -1.07 0.26 114.38 127.96 3hsn h ARG 380 Ca 0.22 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 3hsn h ARG 380 Cb 0.15 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 3hsn h ARG 380 CO -0.02 0.47 -0.13 -0.07 2.80 0.00 0.00 179.97 183.02 3hsn h LEU 381 N 0.47 -0.43 -0.23 3.80 3.38 -1.31 -0.29 115.31 120.71 3hsn h LEU 381 Ca 0.13 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hsn h LEU 381 Cb 0.11 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hsn h LEU 381 CO -0.02 -0.16 0.06 -0.08 0.09 0.00 0.00 178.44 178.33 3hsn h GLU 382 N -0.10 0.15 -0.70 1.13 4.57 -1.00 0.11 114.58 118.74 3hsn h GLU 382 Ca 0.13 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.39 3hsn h GLU 382 Cb 0.30 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 3hsn h GLU 382 CO -0.31 0.10 0.36 1.49 -1.18 0.00 0.00 179.01 179.47 3hsn h GLU 383 N 0.16 0.60 -0.23 1.92 4.81 -0.23 -1.20 114.58 120.40 3hsn h GLU 383 Ca 0.10 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3hsn h GLU 383 Cb 0.08 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3hsn h GLU 383 CO -0.12 0.40 -0.25 0.28 -0.73 0.00 0.00 179.01 178.59 3hsn h VAL 384 N 0.62 1.32 -0.36 0.32 2.07 -0.76 -1.26 116.25 118.20 3hsn h VAL 384 Ca 0.34 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.49 3hsn h VAL 384 Cb 0.32 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3hsn h VAL 384 CO -0.25 0.44 0.06 -1.13 0.02 0.00 0.00 177.57 176.71 3hsn h ASN 385 N 0.27 -0.02 -0.27 0.57 -0.73 -0.75 0.13 115.58 114.79 3hsn h ASN 385 Ca 0.03 0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 3hsn h ASN 385 Cb 0.81 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 3hsn h ASN 385 CO 0.06 0.03 -0.03 0.11 -0.37 0.00 0.00 177.43 177.23 3hsn h LYS 386 N 0.18 0.61 -0.21 6.67 1.57 -1.21 -0.55 116.57 123.63 3hsn h LYS 386 Ca 0.17 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3hsn h LYS 386 Cb 0.20 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hsn h LYS 386 CO -0.24 0.65 -0.13 1.49 -0.57 0.00 0.00 179.45 180.66 3hsn h GLU 387 N 0.58 0.47 0.08 3.15 4.81 -0.38 -1.78 114.58 121.50 3hsn h GLU 387 Ca 0.12 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hsn h GLU 387 Cb 0.41 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hsn h GLU 387 CO 0.02 0.77 -0.06 0.82 -0.73 0.00 0.00 179.01 179.83 3hsn h ILE 388 N 0.16 0.88 -0.82 2.32 2.04 -0.48 0.13 117.51 121.74 3hsn h ILE 388 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 3hsn h ILE 388 Cb 0.64 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 3hsn h ILE 388 CO 0.04 0.00 0.50 -0.08 0.00 0.00 0.00 178.15 178.61 3hsn h GLU 389 N -0.14 0.89 0.00 2.37 4.81 -1.06 1.08 114.58 122.53 3hsn h GLU 389 Ca -0.00 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 3hsn h GLU 389 Cb 0.12 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3hsn h GLU 389 CO -0.00 0.59 -1.23 0.66 -0.73 0.00 0.00 179.01 178.29 3hsn h SER 390 N 0.92 0.00 0.00 1.04 4.64 -1.23 -3.39 113.55 115.53 3hsn h SER 390 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hsn h SER 390 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hsn h SER 390 CO -0.17 0.71 0.00 0.35 -0.87 0.00 0.00 176.83 176.85 3hsn n THR 391 N -3.05 0.00 -0.65 2.95 -2.24 0.45 -5.02 114.28 106.72 3hsn n THR 391 Ca -0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3hsn n THR 391 Cb 0.88 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 3hsn n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hsn n SER 392 N -0.41 0.00 -0.98 3.42 3.41 0.37 -4.93 113.62 114.50 3hsn n SER 392 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hsn n SER 392 Cb 0.01 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 3hsn n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3hsn n THR 393 N -2.00 0.00 -3.82 6.66 5.66 -1.26 -4.69 114.28 114.83 3hsn n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3hsn n THR 393 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3hsn n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3hsn s TYR 394 N -2.34 0.01 -0.11 1.09 1.13 -1.26 -2.54 117.35 113.33 3hsn s TYR 394 Ca 0.00 -0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.27 3hsn s TYR 394 Cb 0.00 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 3hsn s TYR 394 CO 0.00 -0.95 -0.05 -0.65 -2.51 0.00 0.00 175.55 171.38 3hsn s GLN 395 N -3.91 3.20 0.27 -3.49 -1.52 -1.26 -5.06 119.66 107.90 3hsn s GLN 395 Ca 0.13 -0.53 -0.29 0.00 -1.95 0.00 0.00 55.36 52.71 3hsn s GLN 395 Cb -0.01 -2.75 -0.09 0.00 -0.22 0.00 0.00 33.01 29.94 3hsn s GLN 395 CO 0.01 0.46 1.03 -0.51 -0.25 0.00 0.00 175.29 176.03 3hsn s LEU 396 N -0.24 4.56 0.75 2.90 1.43 -1.26 -5.05 118.68 121.76 3hsn s LEU 396 Ca 0.04 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.13 3hsn s LEU 396 Cb -0.13 -3.67 0.05 0.00 0.03 0.00 0.00 46.19 42.48 3hsn s LEU 396 CO 0.02 -0.05 1.19 -0.54 0.23 0.00 0.00 176.35 177.20 3hsn s LYS 397 N -1.43 2.03 0.25 1.70 -0.14 -1.26 -4.82 119.74 116.06 3hsn s LYS 397 Ca 0.44 1.67 -0.04 0.00 -1.36 0.00 0.00 55.97 56.68 3hsn s LYS 397 Cb -0.29 -1.83 0.38 0.00 -1.68 0.00 0.00 37.83 34.42 3hsn s LYS 397 CO 0.36 -1.90 1.83 -0.44 -0.76 0.00 0.00 175.35 174.45 3hsn h ASP 398 N -0.55 0.79 -0.83 2.83 5.19 -1.99 -0.78 116.42 121.08 3hsn h ASP 398 Ca -0.47 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 3hsn h ASP 398 Cb 1.28 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.63 3hsn h ASP 398 CO 0.49 0.47 0.40 0.71 -3.12 0.00 0.00 179.24 178.19 3hsn h THR 399 N 0.91 1.26 -0.40 0.35 1.35 -2.00 -2.18 112.91 112.20 3hsn h THR 399 Ca 0.40 -0.72 -0.13 0.00 -0.55 0.00 0.00 66.41 65.40 3hsn h THR 399 Cb 0.28 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 3hsn h THR 399 CO -0.21 0.31 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.76 3hsn h GLU 400 N 1.18 0.85 -0.38 4.72 5.08 -1.73 -1.86 114.58 122.44 3hsn h GLU 400 Ca 0.29 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hsn h GLU 400 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3hsn h GLU 400 CO -0.04 1.02 0.24 1.25 -1.00 0.00 0.00 179.01 180.49 3hsn h LEU 401 N 0.73 0.46 0.06 1.33 5.85 -0.95 0.87 115.31 123.65 3hsn h LEU 401 Ca 0.09 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hsn h LEU 401 Cb 0.83 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3hsn h LEU 401 CO 0.07 0.37 -0.03 0.40 -0.34 0.00 0.00 178.44 178.91 3hsn h ILE 402 N 0.51 1.02 -0.52 4.05 2.04 -1.33 -0.62 117.51 122.65 3hsn h ILE 402 Ca 0.14 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.83 3hsn h ILE 402 Cb -0.01 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 3hsn h ILE 402 CO -0.03 0.06 0.16 0.22 0.00 0.00 0.00 178.15 178.56 3hsn h TYR 403 N -0.19 0.27 -0.63 1.37 3.20 -1.28 -1.73 116.97 117.98 3hsn h TYR 403 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3hsn h TYR 403 Cb 0.16 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3hsn h TYR 403 CO -0.04 0.06 0.31 0.78 -1.64 0.00 0.00 178.16 177.63 3hsn h GLY 404 N 0.32 0.98 1.06 1.82 0.00 -0.57 -1.35 103.07 105.33 3hsn h GLY 404 Ca 0.26 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3hsn h GLY 404 CO -0.29 0.46 -0.42 0.00 0.00 0.00 0.00 176.54 176.29 3hsn h ALA 405 N 1.14 0.45 -0.73 3.60 0.00 -0.85 -0.07 119.26 122.80 3hsn h ALA 405 Ca 0.22 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hsn h ALA 405 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hsn h ALA 405 CO -0.03 0.57 0.48 0.87 0.00 0.00 0.00 179.25 181.14 3hsn h LYS 406 N 0.57 0.96 -0.16 0.00 1.57 -1.26 -2.68 116.57 115.56 3hsn h LYS 406 Ca 0.03 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3hsn h LYS 406 Cb 1.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3hsn h LYS 406 CO 0.10 0.63 -0.40 0.45 -0.57 0.00 0.00 179.45 179.67 3hsn h HIS 407 N 0.99 0.43 -0.99 -1.35 3.86 -1.00 -0.41 115.15 116.68 3hsn h HIS 407 Ca 0.27 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3hsn h HIS 407 Cb -0.11 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.21 3hsn h HIS 407 CO -0.02 0.71 0.64 0.00 0.86 0.00 0.00 177.93 180.12 3hsn h ALA 408 N 1.28 1.25 -0.09 2.45 0.00 -0.78 0.11 119.26 123.47 3hsn h ALA 408 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hsn h ALA 408 Cb 0.83 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hsn h ALA 408 CO 0.07 0.66 -0.02 2.35 0.00 0.00 0.00 179.25 182.30 3hsn h TRP 409 N 1.34 0.20 -1.01 0.00 7.01 -1.25 -2.50 115.95 119.74 3hsn h TRP 409 Ca 0.36 -0.04 0.23 0.00 2.11 0.00 0.00 58.89 61.55 3hsn h TRP 409 Cb -0.13 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 26.77 3hsn h TRP 409 CO 0.00 0.49 0.62 -0.09 -2.79 0.00 0.00 178.44 176.67 3hsn h ARG 410 N -0.15 0.55 -0.01 2.65 2.43 -0.75 -1.42 114.38 117.69 3hsn h ARG 410 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hsn h ARG 410 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3hsn h ARG 410 CO 0.01 0.36 -0.18 0.09 -1.51 0.00 0.00 179.97 178.74 3hsn n ASN 411 N -4.73 0.83 -4.56 -3.80 3.02 0.35 -4.87 115.26 101.49 3hsn n ASN 411 Ca 0.25 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.59 3hsn n ASN 411 Cb 0.73 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 3hsn n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsn s ALA 412 N -2.46 2.65 0.55 5.41 0.00 -0.54 -4.70 121.76 122.68 3hsn s ALA 412 Ca 0.27 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 51.52 3hsn s ALA 412 Cb 0.20 -4.21 1.50 0.00 0.00 0.00 0.00 23.12 20.61 3hsn s ALA 412 CO 0.49 -3.28 2.13 0.77 0.00 0.00 0.00 175.76 175.87 3hsn h SER 413 N 11.50 0.00 0.02 0.00 0.02 -1.89 -2.41 113.55 120.78 3hsn h SER 413 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3hsn h SER 413 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3hsn h SER 413 CO 1.23 0.00 -0.02 0.54 -1.14 0.00 0.00 176.83 177.44 3hsn n ARG 414 N -4.19 1.48 -3.59 3.45 1.74 -1.26 -0.91 116.66 113.39 3hsn n ARG 414 Ca 0.00 -0.77 -0.39 0.00 -0.77 0.00 0.00 57.85 55.92 3hsn n ARG 414 Cb 0.23 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 3hsn n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hsn n VAL 416 N 5.06 0.00 0.23 0.00 3.14 -1.26 -3.86 118.33 121.63 3hsn n VAL 416 Ca -0.13 -0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.31 3hsn n VAL 416 Cb 0.50 -0.33 0.24 0.00 -1.06 0.00 0.00 33.84 33.19 3hsn n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hsn n GLY 417 N 1.32 1.63 0.00 7.55 0.00 -1.26 -4.55 105.19 109.88 3hsn n GLY 417 Ca 0.13 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.66 3hsn n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsn n ARG 418 N 0.95 0.06 0.13 1.61 1.74 -1.25 -2.34 116.66 117.55 3hsn n ARG 418 Ca 0.18 0.16 0.19 0.00 -0.77 0.00 0.00 57.85 57.61 3hsn n ARG 418 Cb 0.52 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 31.22 3hsn n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hsn h ILE 419 N 0.00 0.34 -0.06 0.55 2.10 -1.89 -0.99 117.51 117.56 3hsn h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hsn h ILE 419 Cb 0.30 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 3hsn h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hsn n GLN 420 N -3.63 1.60 -0.18 2.19 1.13 -0.99 -4.61 117.38 112.90 3hsn n GLN 420 Ca 0.06 -0.89 0.05 0.00 -1.94 0.00 0.00 57.00 54.28 3hsn n GLN 420 Cb 0.57 -1.45 0.34 0.00 0.11 0.00 0.00 30.24 29.80 3hsn n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3hsn h TRP 421 N 2.03 0.79 0.00 1.08 5.08 -1.40 -1.06 115.95 122.47 3hsn h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hsn h TRP 421 Cb 0.44 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 3hsn h TRP 421 CO 0.03 0.44 0.00 -1.13 -1.28 0.00 0.00 178.44 176.50 3hsn n SER 422 N -4.47 0.00 -0.75 0.11 3.41 -1.26 -3.40 113.62 107.26 3hsn n SER 422 Ca 0.10 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 3hsn n SER 422 Cb 0.18 -0.41 0.14 0.00 -0.26 0.00 0.00 64.21 63.87 3hsn n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hsn n LYS 423 N -1.41 2.04 -1.64 4.33 5.02 -0.40 -5.00 118.16 121.11 3hsn n LYS 423 Ca 0.05 -1.87 -0.48 0.00 -2.02 0.00 0.00 58.31 53.99 3hsn n LYS 423 Cb 0.14 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3hsn n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hsn n LEU 424 N 0.87 2.51 -4.62 -0.35 7.94 -1.22 -4.80 117.00 117.33 3hsn n LEU 424 Ca 0.13 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.70 3hsn n LEU 424 Cb 0.44 -1.33 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 3hsn n LEU 424 CO 0.10 -0.60 0.66 -1.58 -1.11 0.00 0.00 177.39 174.86 3hsn s GLN 425 N 0.73 3.98 -0.25 1.96 2.00 -0.92 -4.99 119.66 122.17 3hsn s GLN 425 Ca 0.81 0.67 -0.12 0.00 -2.00 0.00 0.00 55.36 54.72 3hsn s GLN 425 Cb -0.79 -3.73 -0.05 0.00 0.80 0.00 0.00 33.01 29.24 3hsn s GLN 425 CO 0.41 -0.72 0.23 0.08 -0.50 0.00 0.00 175.29 174.79 3hsn s VAL 426 N 3.08 5.30 -0.27 1.34 1.01 -1.26 -1.00 120.40 128.60 3hsn s VAL 426 Ca 0.35 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 3hsn s VAL 426 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3hsn s VAL 426 CO 0.13 0.29 0.12 -0.36 0.00 0.00 0.00 175.10 175.28 3hsn s PHE 427 N 1.36 3.14 -0.56 5.22 0.08 0.85 -4.97 117.98 123.11 3hsn s PHE 427 Ca 0.10 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 3hsn s PHE 427 Cb -0.14 -2.30 0.05 0.00 -0.57 0.00 0.00 43.02 40.06 3hsn s PHE 427 CO 0.07 -0.35 0.85 0.34 -0.10 0.00 0.00 175.22 176.03 3hsn s ASP 428 N 1.64 6.27 -0.33 1.36 -1.08 -1.26 -1.12 116.67 122.15 3hsn s ASP 428 Ca 0.06 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.50 3hsn s ASP 428 Cb -0.16 -2.39 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 3hsn s ASP 428 CO 0.06 -1.17 1.61 0.00 0.52 0.00 0.00 175.17 176.19 3hsn n ALA 429 N 7.10 4.62 1.19 3.66 0.00 0.17 -4.69 120.51 132.56 3hsn n ALA 429 Ca -0.02 -2.98 0.13 0.00 0.00 0.00 0.00 53.44 50.57 3hsn n ALA 429 Cb 0.46 -0.97 0.64 0.00 0.00 0.00 0.00 19.45 19.58 3hsn n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hsn n ARG 430 N -1.04 0.33 -0.05 0.00 1.74 -1.13 -2.02 116.66 114.50 3hsn n ARG 430 Ca 0.41 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 3hsn n ARG 430 Cb 1.23 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 31.63 3hsn n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hsn n ASP 431 N -1.31 1.40 -4.76 0.55 5.68 -1.26 -4.58 116.55 112.27 3hsn n ASP 431 Ca 0.12 -1.60 -0.40 0.00 -0.50 0.00 0.00 54.79 52.41 3hsn n ASP 431 Cb 0.22 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3hsn n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hsn n THR 433 N 1.24 0.00 -4.24 0.00 -2.24 -1.26 -4.76 114.28 103.02 3hsn n THR 433 Ca -0.01 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3hsn n THR 433 Cb 0.45 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 3hsn n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hsn s THR 434 N -1.06 0.87 0.41 4.28 -4.23 -1.26 -4.58 115.64 110.06 3hsn s THR 434 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 3hsn s THR 434 Cb 0.00 -1.95 0.22 0.00 1.34 0.00 0.00 72.50 72.11 3hsn s THR 434 CO 0.00 -0.64 2.01 0.00 -0.54 0.00 0.00 174.62 175.45 3hsn h ALA 435 N 2.76 1.64 -0.42 3.99 0.00 -1.88 -1.08 119.26 124.27 3hsn h ALA 435 Ca -0.36 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 3hsn h ALA 435 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3hsn h ALA 435 CO 0.64 0.28 -0.18 0.45 0.00 0.00 0.00 179.25 180.44 3hsn h HIS 436 N 0.41 0.92 -0.79 0.00 3.86 -1.96 -1.29 115.15 116.31 3hsn h HIS 436 Ca 0.10 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 3hsn h HIS 436 Cb 0.11 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 3hsn h HIS 436 CO 0.00 0.93 0.31 0.78 0.86 0.00 0.00 177.93 180.82 3hsn h GLY 437 N 0.96 1.26 0.98 2.45 0.00 -1.64 -2.27 103.07 104.81 3hsn h GLY 437 Ca 0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 3hsn h GLY 437 CO 0.05 0.65 0.20 -0.33 0.00 0.00 0.00 176.54 177.11 3hsn h MET 438 N 1.15 0.80 -0.42 4.80 0.00 -0.92 -1.21 114.93 119.12 3hsn h MET 438 Ca 0.26 -0.15 0.07 0.00 0.00 0.00 0.00 59.70 59.89 3hsn h MET 438 Cb 0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 31.60 31.63 3hsn h MET 438 CO -0.02 0.71 0.03 0.35 0.00 0.00 0.00 176.91 177.98 3hsn h PHE 439 N 0.72 0.04 -0.59 -0.22 3.57 -1.00 -0.09 116.94 119.36 3hsn h PHE 439 Ca 0.18 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3hsn h PHE 439 Cb 0.21 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3hsn h PHE 439 CO 0.01 -0.05 0.23 -0.97 -2.23 0.00 0.00 178.31 175.30 3hsn h ASN 440 N 0.15 0.83 -0.99 0.41 -1.24 -1.06 -0.69 115.58 112.98 3hsn h ASN 440 Ca 0.21 -0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.09 3hsn h ASN 440 Cb 0.28 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.05 3hsn h ASN 440 CO -0.31 0.78 0.65 1.88 -1.29 0.00 0.00 177.43 179.13 3hsn h TYR 441 N 0.82 1.20 0.01 0.67 0.05 -0.78 -2.22 116.97 116.73 3hsn h TYR 441 Ca 0.20 0.03 -0.24 0.00 0.05 0.00 0.00 58.73 58.77 3hsn h TYR 441 Cb 0.22 -0.40 0.01 0.00 1.01 0.00 0.00 36.73 37.56 3hsn h TYR 441 CO 0.01 0.66 -0.99 0.82 -1.05 0.00 0.00 178.16 177.61 3hsn h ILE 442 N 1.20 1.39 -0.52 -2.88 2.04 -0.47 -1.34 117.51 116.93 3hsn h ILE 442 Ca 0.41 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3hsn h ILE 442 Cb 0.09 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3hsn h ILE 442 CO -0.15 0.74 0.33 0.00 0.00 0.00 0.00 178.15 179.07 3hsn h ASN 444 N 0.70 0.96 -0.01 0.00 2.35 -1.17 -1.24 115.58 117.16 3hsn h ASN 444 Ca 0.19 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3hsn h ASN 444 Cb -0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3hsn h ASN 444 CO -0.04 0.88 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.79 3hsn h HIS 445 N 0.98 -0.24 -0.66 1.19 -0.00 -0.95 -0.66 115.15 114.81 3hsn h HIS 445 Ca 0.23 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.64 3hsn h HIS 445 Cb 0.24 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.71 3hsn h HIS 445 CO 0.02 -0.15 0.40 0.28 -0.00 0.00 0.00 177.93 178.48 3hsn h VAL 446 N -0.16 1.06 -0.28 5.26 2.07 -0.74 0.14 116.25 123.60 3hsn h VAL 446 Ca 0.04 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 3hsn h VAL 446 Cb 0.21 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3hsn h VAL 446 CO -0.10 0.14 -0.17 0.50 0.02 0.00 0.00 177.57 177.96 3hsn h LYS 447 N 0.78 0.60 -0.08 1.57 3.64 -1.16 -1.42 116.57 120.49 3hsn h LYS 447 Ca 0.27 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hsn h LYS 447 Cb 0.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hsn h LYS 447 CO -0.12 0.86 0.03 -0.92 -2.27 0.00 0.00 179.45 177.03 3hsn h TYR 448 N 0.34 0.13 -0.42 1.91 3.20 -0.76 -2.27 116.97 119.10 3hsn h TYR 448 Ca 0.06 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3hsn h TYR 448 Cb 0.71 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3hsn h TYR 448 CO 0.07 0.25 -0.17 0.00 -1.64 0.00 0.00 178.16 176.66 3hsn h ALA 449 N 0.86 0.90 -0.12 1.82 0.00 -0.74 -3.16 119.26 118.81 3hsn h ALA 449 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hsn h ALA 449 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hsn h ALA 449 CO -0.00 0.63 -0.00 1.15 0.00 0.00 0.00 179.25 181.02 3hsn h THR 450 N 0.71 1.25 -6.46 0.00 2.02 -1.24 -0.58 112.91 108.62 3hsn h THR 450 Ca 0.11 -0.82 -0.50 0.00 0.77 0.00 0.00 66.41 65.97 3hsn h THR 450 Cb 0.68 1.55 -0.09 0.00 -1.74 0.00 0.00 68.15 68.55 3hsn h THR 450 CO 0.05 0.24 -0.80 -3.20 0.37 0.00 0.00 175.52 172.18 3hsn n ASN 451 N -4.79 -3.65 -2.37 4.18 5.15 -0.86 -0.22 115.26 112.70 3hsn n ASN 451 Ca -0.06 -0.88 -0.17 0.00 -0.60 0.00 0.00 54.58 52.87 3hsn n ASN 451 Cb 0.21 -3.44 -0.01 0.00 -0.53 0.00 0.00 39.78 36.00 3hsn n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hsn n LYS 452 N -4.53 -1.88 0.00 1.20 5.02 -1.26 -2.03 118.16 114.68 3hsn n LYS 452 Ca -0.00 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3hsn n LYS 452 Cb 0.54 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 3hsn n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hsn n GLY 453 N -0.90 2.88 3.26 0.72 0.00 0.69 -4.94 105.19 106.90 3hsn n GLY 453 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3hsn n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hsn n ASN 454 N 0.00 5.17 -4.78 1.61 5.15 -0.86 -1.23 115.26 120.32 3hsn n ASN 454 Ca 0.00 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.55 3hsn n ASN 454 Cb 0.00 -1.54 -0.00 0.00 -0.53 0.00 0.00 39.78 37.70 3hsn n ASN 454 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hsn s LEU 455 N 1.04 4.33 -0.06 1.20 1.02 -1.25 -4.57 118.68 120.39 3hsn s LEU 455 Ca 0.42 3.02 0.05 0.00 0.02 0.00 0.00 54.13 57.64 3hsn s LEU 455 Cb 0.02 -3.67 -0.00 0.00 0.02 0.00 0.00 46.19 42.56 3hsn s LEU 455 CO 0.00 -0.85 -0.20 -0.13 0.02 0.00 0.00 176.35 175.19 3hsn s ARG 456 N -1.99 2.19 0.32 1.70 0.52 -0.23 -4.99 118.95 116.47 3hsn s ARG 456 Ca 0.53 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 3hsn s ARG 456 Cb -0.46 -1.83 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 3hsn s ARG 456 CO 0.62 0.25 1.28 -1.54 0.02 0.00 0.00 175.30 175.93 3hsn s SER 457 N 0.09 6.85 0.05 0.23 1.04 -1.26 -4.49 113.70 116.20 3hsn s SER 457 Ca -0.07 2.61 -0.19 0.00 0.48 0.00 0.00 55.95 58.78 3hsn s SER 457 Cb -0.14 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.38 3hsn s SER 457 CO 0.04 -0.48 0.43 0.00 0.98 0.00 0.00 173.24 174.21 3hsn s ALA 458 N -1.06 -1.07 -0.01 5.32 0.00 -0.70 -2.17 121.76 122.08 3hsn s ALA 458 Ca 0.49 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3hsn s ALA 458 Cb -0.38 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hsn s ALA 458 CO 0.50 -0.47 -0.00 -1.50 0.00 0.00 0.00 175.76 174.29 3hsn s ILE 459 N -2.52 0.08 -0.20 0.00 2.07 -0.17 -1.23 121.20 119.24 3hsn s ILE 459 Ca -0.05 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.18 3hsn s ILE 459 Cb -0.01 -0.12 -0.01 0.00 0.13 0.00 0.00 42.46 42.46 3hsn s ILE 459 CO -0.03 0.06 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.11 3hsn s THR 460 N 0.34 3.35 -0.32 4.00 2.01 -0.71 -0.11 115.64 124.22 3hsn s THR 460 Ca -0.03 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 3hsn s THR 460 Cb -0.05 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 70.00 3hsn s THR 460 CO -0.01 0.45 0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 3hsn s ILE 461 N 1.15 3.55 0.70 1.82 1.01 -0.27 -3.26 121.20 125.89 3hsn s ILE 461 Ca 0.02 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 3hsn s ILE 461 Cb -0.14 -2.98 0.08 0.00 0.01 0.00 0.00 42.46 39.42 3hsn s ILE 461 CO -0.01 -0.10 1.00 -0.36 0.00 0.00 0.00 174.94 175.46 3hsn s PHE 462 N 1.37 2.63 0.38 3.97 0.08 -0.86 -0.66 117.98 124.90 3hsn s PHE 462 Ca -0.02 0.26 -0.26 0.00 0.12 0.00 0.00 56.93 57.03 3hsn s PHE 462 Cb -0.19 -3.17 -0.11 0.00 -0.57 0.00 0.00 43.02 38.98 3hsn s PHE 462 CO 0.01 -1.45 1.21 -2.30 -0.10 0.00 0.00 175.22 172.59 3hsn n PRO 463 N -2.88 1.85 -1.00 0.24 -0.02 -1.26 -4.73 135.00 127.21 3hsn n PRO 463 Ca 0.09 0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 3hsn n PRO 463 Cb 0.60 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.98 3hsn n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3hsn s GLN 464 N -2.00 1.11 0.45 -0.52 -2.07 -1.26 -4.55 119.66 110.81 3hsn s GLN 464 Ca 0.59 1.08 -0.24 0.00 -1.82 0.00 0.00 55.36 54.97 3hsn s GLN 464 Cb -0.55 -1.77 -0.08 0.00 -1.09 0.00 0.00 33.01 29.52 3hsn s GLN 464 CO 0.59 -2.42 1.30 0.50 -1.32 0.00 0.00 175.29 173.94 3hsn s ARG 465 N -4.79 3.74 0.00 9.60 3.52 0.88 -4.89 118.95 127.00 3hsn s ARG 465 Ca 0.64 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 3hsn s ARG 465 Cb -0.20 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 3hsn s ARG 465 CO 0.58 -0.67 0.00 0.25 -0.81 0.00 0.00 175.30 174.65 3hsn n THR 466 N -0.25 0.00 0.96 4.11 -2.24 -1.26 -4.77 114.28 110.82 3hsn n THR 466 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3hsn n THR 466 Cb 0.45 -0.46 0.09 0.00 -2.10 0.00 0.00 70.33 68.31 3hsn n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hsn n ASP 467 N -0.82 2.88 0.00 3.42 5.75 -1.26 -4.92 116.55 121.60 3hsn n ASP 467 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3hsn n ASP 467 Cb 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3hsn n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsn n GLY 468 N 1.30 1.34 0.24 6.12 0.00 -1.26 -4.74 105.19 108.19 3hsn n GLY 468 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3hsn n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hsn n LYS 469 N -2.00 1.19 -0.71 1.61 5.02 -1.26 -4.55 118.16 117.46 3hsn n LYS 469 Ca 0.00 -0.50 0.06 0.00 -2.02 0.00 0.00 58.31 55.85 3hsn n LYS 469 Cb 0.00 -1.38 0.18 0.00 -0.02 0.00 0.00 35.03 33.81 3hsn n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hsn n HIS 470 N -0.69 0.00 -2.01 2.13 8.25 -1.26 -4.28 115.22 117.36 3hsn n HIS 470 Ca 0.06 -1.31 -0.40 0.00 -0.26 0.00 0.00 57.72 55.81 3hsn n HIS 470 Cb 0.35 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 3hsn n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hsn s ASP 471 N -3.02 6.42 -0.06 0.41 1.11 -1.26 -2.90 116.67 117.38 3hsn s ASP 471 Ca 0.37 2.76 -0.22 0.00 0.18 0.00 0.00 52.55 55.64 3hsn s ASP 471 Cb 0.37 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 3hsn s ASP 471 CO -0.08 -0.79 0.63 -0.36 1.18 0.00 0.00 175.17 175.76 3hsn s PHE 472 N -1.19 3.59 0.00 4.23 0.40 -1.26 -1.51 117.98 122.24 3hsn s PHE 472 Ca 0.54 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 58.04 3hsn s PHE 472 Cb -0.41 -2.71 -0.00 0.00 0.51 0.00 0.00 43.02 40.41 3hsn s PHE 472 CO 0.53 0.17 -0.01 1.03 0.70 0.00 0.00 175.22 177.64 3hsn s ARG 473 N 0.51 0.12 -0.27 0.44 1.81 -0.33 -3.34 118.95 117.90 3hsn s ARG 473 Ca 0.34 -0.14 -0.14 0.00 -1.72 0.00 0.00 55.73 54.07 3hsn s ARG 473 Cb -0.17 -0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.23 3hsn s ARG 473 CO 0.16 0.01 0.32 0.08 -0.68 0.00 0.00 175.30 175.19 3hsn s VAL 474 N -0.27 5.22 0.19 3.52 1.01 -1.26 -1.24 120.40 127.57 3hsn s VAL 474 Ca -0.02 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3hsn s VAL 474 Cb -0.02 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3hsn s VAL 474 CO -0.00 0.19 1.43 -0.50 0.00 0.00 0.00 175.10 176.22 3hsn h TRP 475 N 8.22 0.01 -3.01 5.22 4.06 -1.45 -3.43 115.95 125.58 3hsn h TRP 475 Ca -0.33 -0.01 -0.58 0.00 2.06 0.00 0.00 58.89 60.03 3hsn h TRP 475 Cb 1.17 -0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.46 3hsn h TRP 475 CO 0.76 0.83 0.17 0.09 -3.56 0.00 0.00 178.44 176.72 3hsn n ASN 476 N -3.56 1.30 0.08 -3.49 4.13 -1.26 -4.93 115.26 107.52 3hsn n ASN 476 Ca -0.01 1.05 -0.12 0.00 1.68 0.00 0.00 54.58 57.18 3hsn n ASN 476 Cb 0.79 -1.35 -0.05 0.00 -1.54 0.00 0.00 39.78 37.63 3hsn n ASN 476 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3hsn h SER 477 N 1.60 0.42 -4.65 6.41 0.02 -1.90 -3.36 113.55 112.09 3hsn h SER 477 Ca -0.44 -0.36 -0.26 0.00 -0.84 0.00 0.00 61.79 59.89 3hsn h SER 477 Cb 1.34 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 3hsn h SER 477 CO 0.57 1.18 -0.72 -1.10 -1.14 0.00 0.00 176.83 175.62 3hsn s GLN 478 N -3.14 0.71 0.20 3.45 -0.21 -1.26 -0.93 119.66 118.47 3hsn s GLN 478 Ca -0.04 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.16 3hsn s GLN 478 Cb 0.09 -0.28 0.13 0.00 1.00 0.00 0.00 33.01 33.94 3hsn s GLN 478 CO 0.86 0.02 1.82 -0.07 -2.12 0.00 0.00 175.29 175.80 3hsn h LEU 479 N 3.69 0.86 -8.34 2.90 3.38 -1.30 -3.39 115.31 113.11 3hsn h LEU 479 Ca -0.36 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 56.87 3hsn h LEU 479 Cb 1.18 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 41.42 3hsn h LEU 479 CO 0.53 0.69 -0.78 -0.63 0.09 0.00 0.00 178.44 178.34 3hsn s ILE 480 N -5.90 2.85 0.14 1.22 1.01 -1.26 -4.87 121.20 114.39 3hsn s ILE 480 Ca -0.13 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 3hsn s ILE 480 Cb 0.14 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.42 3hsn s ILE 480 CO 0.79 0.49 0.48 -0.13 0.00 0.00 0.00 174.94 176.57 3hsn s ARG 481 N 1.11 1.16 0.03 2.79 0.52 -1.26 -4.82 118.95 118.48 3hsn s ARG 481 Ca 0.01 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3hsn s ARG 481 Cb -0.14 0.52 -0.05 0.00 0.52 0.00 0.00 34.95 35.79 3hsn s ARG 481 CO -0.04 -0.48 0.35 0.71 0.02 0.00 0.00 175.30 175.87 3hsn s TYR 482 N -3.77 3.61 0.73 -0.53 2.02 -1.26 -1.09 117.35 117.06 3hsn s TYR 482 Ca 0.02 0.76 -0.14 0.00 -0.37 0.00 0.00 57.07 57.34 3hsn s TYR 482 Cb 0.01 -2.13 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3hsn s TYR 482 CO -0.12 0.58 1.14 0.00 -1.57 0.00 0.00 175.55 175.58 3hsn s ALA 483 N -1.28 2.20 -0.01 3.71 0.00 0.12 -4.47 121.76 122.02 3hsn s ALA 483 Ca 0.28 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3hsn s ALA 483 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3hsn s ALA 483 CO 0.16 -1.73 -0.11 0.20 0.00 0.00 0.00 175.76 174.27 3hsn s GLY 484 N -2.53 0.53 -0.09 0.00 0.00 -1.22 -1.26 107.32 102.75 3hsn s GLY 484 Ca 0.68 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3hsn s GLY 484 CO 0.47 -0.40 -0.07 -0.19 0.00 0.00 0.00 173.10 172.91 3hsn s TYR 485 N -0.28 1.25 -0.11 1.90 2.02 0.89 -4.15 117.35 118.87 3hsn s TYR 485 Ca 0.04 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.91 3hsn s TYR 485 Cb -0.04 -1.06 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 3hsn s TYR 485 CO -0.00 -0.40 1.01 0.21 -1.57 0.00 0.00 175.55 174.80 3hsn s LYS 486 N 1.44 4.42 0.42 -0.62 2.47 -1.26 -0.91 119.74 125.70 3hsn s LYS 486 Ca -0.01 1.39 -0.03 0.00 -1.56 0.00 0.00 55.97 55.76 3hsn s LYS 486 Cb -0.13 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 3hsn s LYS 486 CO -0.04 -0.33 0.69 -0.65 0.16 0.00 0.00 175.35 175.18 3hsn s GLN 487 N 2.06 3.53 0.53 4.03 -1.52 0.69 -4.97 119.66 124.01 3hsn s GLN 487 Ca 0.48 0.01 0.21 0.00 -1.95 0.00 0.00 55.36 54.11 3hsn s GLN 487 Cb -0.18 -2.49 1.42 0.00 -0.22 0.00 0.00 33.01 31.54 3hsn s GLN 487 CO 0.17 -0.05 2.16 -1.35 -0.25 0.00 0.00 175.29 175.98 3hsn h PRO 488 N 0.52 0.00 0.00 2.91 0.11 -1.96 -1.06 132.00 132.52 3hsn h PRO 488 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hsn h PRO 488 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hsn h PRO 488 CO 0.62 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3hsn n ASP 489 N -4.26 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.77 3hsn n ASP 489 Ca -0.03 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 3hsn n ASP 489 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3hsn n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hsn n GLY 490 N 0.70 1.09 3.85 6.12 0.00 -0.40 -5.06 105.19 111.49 3hsn n GLY 490 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hsn n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsn s SER 491 N -2.84 4.38 -0.09 1.61 1.04 -1.26 -4.78 113.70 111.75 3hsn s SER 491 Ca 0.00 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.44 3hsn s SER 491 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.54 3hsn s SER 491 CO 0.00 -2.00 -0.21 -0.89 0.98 0.00 0.00 173.24 171.12 3hsn s THR 492 N -3.39 1.79 -0.17 2.02 2.01 -1.26 -0.23 115.64 116.42 3hsn s THR 492 Ca 0.62 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 3hsn s THR 492 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 3hsn s THR 492 CO 0.52 0.50 0.28 -0.22 -0.69 0.00 0.00 174.62 175.01 3hsn s LEU 493 N 0.46 4.23 0.00 4.42 2.96 -0.09 -4.93 118.68 125.73 3hsn s LEU 493 Ca -0.17 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3hsn s LEU 493 Cb -0.17 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3hsn s LEU 493 CO 0.07 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3hsn n GLY 494 N 3.48 0.18 3.51 7.98 0.00 -1.26 -0.08 105.19 119.00 3hsn n GLY 494 Ca -0.12 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 3hsn n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hsn s ASP 495 N -4.00 6.11 0.59 1.61 -1.08 -0.39 -4.80 116.67 114.71 3hsn s ASP 495 Ca 0.00 -0.56 0.34 0.00 -0.52 0.00 0.00 52.55 51.81 3hsn s ASP 495 Cb 0.00 -2.16 1.85 0.00 -1.46 0.00 0.00 42.92 41.15 3hsn s ASP 495 CO 0.00 -0.36 2.21 -0.65 0.52 0.00 0.00 175.17 176.89 3hsn h PRO 496 N 8.55 0.00 0.00 4.34 0.11 -1.81 -2.05 132.00 141.15 3hsn h PRO 496 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3hsn h PRO 496 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hsn h PRO 496 CO 0.69 0.04 -0.01 0.00 -0.21 0.00 0.00 178.00 178.51 3hsn h ALA 497 N 1.96 1.64 -0.28 -0.75 0.00 -1.93 -3.13 119.26 116.78 3hsn h ALA 497 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hsn h ALA 497 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hsn h ALA 497 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3hsn n ASN 498 N -4.04 3.80 -0.01 0.00 3.02 -0.77 -4.69 115.26 112.57 3hsn n ASN 498 Ca -0.03 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.56 3hsn n ASN 498 Cb 0.10 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 3hsn n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hsn h VAL 499 N 1.90 0.83 -0.15 2.41 2.07 -1.65 0.98 116.25 122.65 3hsn h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hsn h VAL 499 Cb 1.35 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3hsn h VAL 499 CO 0.20 0.00 0.09 -0.61 0.02 0.00 0.00 177.57 177.27 3hsn h GLN 500 N -0.02 0.20 -0.76 1.57 4.15 -1.86 -0.58 115.11 117.81 3hsn h GLN 500 Ca 0.07 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3hsn h GLN 500 Cb 0.13 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3hsn h GLN 500 CO -0.15 0.16 0.34 0.35 -1.93 0.00 0.00 178.83 177.59 3hsn h PHE 501 N 0.18 1.12 -0.48 3.99 3.57 -1.86 -2.07 116.94 121.40 3hsn h PHE 501 Ca 0.05 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3hsn h PHE 501 Cb 0.01 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 3hsn h PHE 501 CO -0.06 0.84 0.22 1.15 -2.23 0.00 0.00 178.31 178.23 3hsn h THR 502 N 1.08 0.93 -0.95 4.41 2.02 -0.55 -0.73 112.91 119.12 3hsn h THR 502 Ca 0.26 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3hsn h THR 502 Cb 0.16 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3hsn h THR 502 CO -0.03 0.08 0.63 -0.33 0.37 0.00 0.00 175.52 176.24 3hsn h GLU 503 N 0.44 1.25 -0.08 6.66 5.08 -0.83 -0.81 114.58 126.29 3hsn h GLU 503 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hsn h GLU 503 Cb 0.15 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hsn h GLU 503 CO -0.17 0.83 0.04 0.82 -1.00 0.00 0.00 179.01 179.53 3hsn h ILE 504 N 1.29 1.11 -0.23 3.13 2.04 -0.91 -1.66 117.51 122.28 3hsn h ILE 504 Ca 0.35 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3hsn h ILE 504 Cb -0.15 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3hsn h ILE 504 CO -0.08 0.10 -0.17 0.00 0.00 0.00 0.00 178.15 178.00 3hsn h ILE 506 N -0.16 0.79 -0.97 0.00 2.04 -1.14 -1.60 117.51 116.47 3hsn h ILE 506 Ca 0.13 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hsn h ILE 506 Cb 0.36 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 3hsn h ILE 506 CO -0.33 0.07 0.63 -0.61 0.00 0.00 0.00 178.15 177.91 3hsn h GLN 507 N 0.38 1.18 0.00 2.37 4.15 -0.55 -1.74 115.11 120.89 3hsn h GLN 507 Ca 0.28 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3hsn h GLN 507 Cb 0.32 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3hsn h GLN 507 CO -0.28 0.78 0.00 1.04 -1.93 0.00 0.00 178.83 178.43 3hsn n GLN 508 N -4.45 0.59 0.00 1.69 1.13 -0.43 -4.86 117.38 111.05 3hsn n GLN 508 Ca 0.13 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 3hsn n GLN 508 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3hsn n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hsn n GLY 509 N 0.76 0.95 3.69 1.08 0.00 -0.65 -4.91 105.19 106.12 3hsn n GLY 509 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hsn n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hsn s TRP 510 N -1.69 2.56 -0.68 1.61 -0.00 -0.68 -4.95 118.94 115.13 3hsn s TRP 510 Ca 0.00 0.41 -0.22 0.00 -0.00 0.00 0.00 56.10 56.29 3hsn s TRP 510 Cb 0.00 -3.93 0.07 0.00 -0.00 0.00 0.00 33.47 29.61 3hsn s TRP 510 CO 0.00 -3.68 0.98 0.15 -0.00 0.00 0.00 176.95 174.40 3hsn s LYS 511 N 2.36 3.14 0.11 5.86 1.02 -1.26 -4.40 119.74 126.57 3hsn s LYS 511 Ca 0.72 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 3hsn s LYS 511 Cb -0.40 -4.27 -0.07 0.00 -0.52 0.00 0.00 37.83 32.58 3hsn s LYS 511 CO 0.32 -1.82 1.18 0.00 -0.92 0.00 0.00 175.35 174.11 3hsn s ALA 512 N 4.02 3.40 0.11 5.17 0.00 -1.26 -4.93 121.76 128.28 3hsn s ALA 512 Ca 0.23 0.87 0.34 0.00 0.00 0.00 0.00 51.96 53.39 3hsn s ALA 512 Cb -0.16 -3.42 1.56 0.00 0.00 0.00 0.00 23.12 21.09 3hsn s ALA 512 CO 0.09 -0.38 2.01 -1.35 0.00 0.00 0.00 175.76 176.13 3hsn h PRO 513 N 6.14 0.00 -6.13 0.00 0.11 -1.99 -3.47 132.00 126.66 3hsn h PRO 513 Ca -0.43 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.26 3hsn h PRO 513 Cb 1.21 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.38 3hsn h PRO 513 CO 0.78 0.00 -0.86 0.54 -0.21 0.00 0.00 178.00 178.25 3hsn n ARG 514 N -2.86 -3.97 -2.20 1.05 1.74 -1.26 -5.03 116.66 104.13 3hsn n ARG 514 Ca -0.00 0.58 -0.05 0.00 -0.77 0.00 0.00 57.85 57.60 3hsn n ARG 514 Cb 0.21 -4.97 -0.01 0.00 -1.02 0.00 0.00 32.46 26.67 3hsn n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hsn n GLY 515 N -1.63 3.54 0.15 -0.13 0.00 -1.26 -5.06 105.19 100.80 3hsn n GLY 515 Ca -0.26 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.66 3hsn n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hsn h ARG 516 N 0.00 0.00 -1.71 1.61 2.43 -1.93 -3.39 114.38 111.39 3hsn h ARG 516 Ca -0.07 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.65 3hsn h ARG 516 Cb 0.23 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.38 3hsn h ARG 516 CO 0.11 0.00 -1.19 1.19 -1.51 0.00 0.00 179.97 178.57 3hsn n PHE 517 N -2.77 0.50 -3.04 2.20 3.72 -1.26 -4.16 117.46 112.64 3hsn n PHE 517 Ca 0.02 -3.52 -0.41 0.00 -0.05 0.00 0.00 57.45 53.49 3hsn n PHE 517 Cb 0.53 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 3hsn n PHE 517 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hsn s ASP 518 N -2.64 6.72 0.05 4.37 1.01 -1.26 -4.93 116.67 119.98 3hsn s ASP 518 Ca 0.36 0.88 -0.31 0.00 0.71 0.00 0.00 52.55 54.20 3hsn s ASP 518 Cb 0.38 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.86 3hsn s ASP 518 CO -0.05 -0.37 1.63 -0.69 0.21 0.00 0.00 175.17 175.90 3hsn s VAL 519 N 2.32 3.16 0.58 -1.27 1.01 -1.26 -0.70 120.40 124.23 3hsn s VAL 519 Ca 0.30 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 3hsn s VAL 519 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3hsn s VAL 519 CO 0.09 -0.01 1.13 -0.76 0.00 0.00 0.00 175.10 175.55 3hsn s LEU 520 N 2.76 3.64 0.66 3.92 1.43 -0.25 -4.88 118.68 125.96 3hsn s LEU 520 Ca 0.73 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 3hsn s LEU 520 Cb -0.38 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.25 3hsn s LEU 520 CO 0.32 -1.36 1.05 -2.16 0.23 0.00 0.00 176.35 174.43 3hsn s PRO 521 N -3.53 3.20 0.13 1.29 0.04 -1.26 -4.75 135.00 130.12 3hsn s PRO 521 Ca 0.71 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 3hsn s PRO 521 Cb -0.23 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 3hsn s PRO 521 CO 0.31 -0.89 0.87 -0.51 0.04 0.00 0.00 177.00 176.82 3hsn s LEU 522 N -5.33 4.54 -0.30 -3.56 1.43 0.22 -4.89 118.68 110.80 3hsn s LEU 522 Ca 0.57 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 3hsn s LEU 522 Cb -0.13 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.72 3hsn s LEU 522 CO 0.53 0.07 -0.03 -0.22 0.23 0.00 0.00 176.35 176.93 3hsn s LEU 523 N -0.53 3.92 -0.10 1.79 2.96 -1.26 -0.42 118.68 125.04 3hsn s LEU 523 Ca 0.41 -1.51 0.04 0.00 -0.22 0.00 0.00 54.13 52.85 3hsn s LEU 523 Cb -0.23 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3hsn s LEU 523 CO 0.28 -0.27 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.05 3hsn s LEU 524 N 1.13 2.13 -0.22 -0.68 1.43 -0.36 -1.11 118.68 121.01 3hsn s LEU 524 Ca -0.04 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3hsn s LEU 524 Cb -0.20 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hsn s LEU 524 CO -0.04 0.16 -0.06 -1.58 0.23 0.00 0.00 176.35 175.07 3hsn s GLN 525 N 0.32 3.31 -0.09 1.70 0.74 -0.37 -0.47 119.66 124.80 3hsn s GLN 525 Ca -0.18 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.58 3hsn s GLN 525 Cb -0.18 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 3hsn s GLN 525 CO 0.09 -0.21 -0.12 0.00 -0.55 0.00 0.00 175.29 174.49 3hsn s ALA 526 N 1.45 2.69 -1.41 1.58 0.00 -1.26 -1.18 121.76 123.64 3hsn s ALA 526 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 3hsn s ALA 526 Cb -0.14 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3hsn s ALA 526 CO -0.04 0.41 0.45 -1.71 0.00 0.00 0.00 175.76 174.87 3hsn n ASN 527 N 2.88 -4.93 0.00 0.00 5.15 -1.23 -1.79 115.26 115.35 3hsn n ASN 527 Ca -0.18 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 3hsn n ASN 527 Cb 0.52 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 3hsn n ASN 527 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hsn n GLY 528 N -1.27 1.40 3.76 8.20 0.00 -0.57 -4.56 105.19 112.15 3hsn n GLY 528 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3hsn n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsn s ASN 529 N -3.16 3.89 0.44 1.61 0.02 -0.74 -4.89 114.94 112.12 3hsn s ASN 529 Ca 0.00 1.40 -0.25 0.00 -1.02 0.00 0.00 52.86 52.99 3hsn s ASN 529 Cb 0.00 -2.10 -0.08 0.00 0.02 0.00 0.00 41.25 39.09 3hsn s ASN 529 CO 0.00 -2.36 1.38 -1.81 0.02 0.00 0.00 177.10 174.33 3hsn s ASP 530 N -3.64 5.99 0.72 -1.22 1.01 -1.26 -4.42 116.67 113.85 3hsn s ASP 530 Ca 0.62 2.82 -0.12 0.00 0.71 0.00 0.00 52.55 56.58 3hsn s ASP 530 Cb -0.16 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.15 3hsn s ASP 530 CO 0.56 -1.09 1.09 -2.16 0.21 0.00 0.00 175.17 173.78 3hsn s PRO 531 N -2.41 2.59 0.07 8.23 0.04 -1.26 -4.77 135.00 137.49 3hsn s PRO 531 Ca 0.60 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.91 3hsn s PRO 531 Cb -0.41 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3hsn s PRO 531 CO 0.53 -1.39 -0.18 -1.21 0.04 0.00 0.00 177.00 174.79 3hsn s GLU 532 N -4.64 1.10 0.10 4.56 2.02 0.38 -4.83 118.70 117.40 3hsn s GLU 532 Ca 0.62 -0.97 -0.22 0.00 0.02 0.00 0.00 54.97 54.42 3hsn s GLU 532 Cb -0.17 -1.22 -0.07 0.00 0.10 0.00 0.00 34.13 32.77 3hsn s GLU 532 CO 0.50 0.29 0.67 -0.51 0.02 0.00 0.00 175.26 176.24 3hsn s LEU 533 N -1.49 4.54 -0.00 1.80 1.43 -1.26 -1.22 118.68 122.48 3hsn s LEU 533 Ca 0.04 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.56 3hsn s LEU 533 Cb -0.09 -3.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 3hsn s LEU 533 CO 0.02 0.22 0.02 -0.36 0.23 0.00 0.00 176.35 176.49 3hsn s PHE 534 N -0.98 0.06 -0.18 0.29 0.40 0.43 -4.98 117.98 113.04 3hsn s PHE 534 Ca 0.33 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 3hsn s PHE 534 Cb -0.21 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 3hsn s PHE 534 CO 0.22 -0.10 0.32 -1.14 0.70 0.00 0.00 175.22 175.22 3hsn s GLN 535 N -0.58 4.23 0.17 0.44 0.74 -1.26 0.72 119.66 124.12 3hsn s GLN 535 Ca -0.06 0.10 -0.31 0.00 0.05 0.00 0.00 55.36 55.14 3hsn s GLN 535 Cb -0.04 -3.46 -0.10 0.00 1.10 0.00 0.00 33.01 30.50 3hsn s GLN 535 CO -0.00 0.15 1.56 0.42 -0.55 0.00 0.00 175.29 176.87 3hsn s ILE 536 N 0.75 2.61 -0.09 -2.34 1.01 -1.26 -4.91 121.20 116.97 3hsn s ILE 536 Ca 0.17 0.44 -0.37 0.00 0.00 0.00 0.00 60.65 60.89 3hsn s ILE 536 Cb -0.14 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.91 3hsn s ILE 536 CO 0.05 0.04 1.68 -2.65 0.00 0.00 0.00 174.94 174.06 3hsn n PRO 537 N 3.89 1.61 -0.34 2.79 -0.02 -1.26 -4.81 135.00 136.85 3hsn n PRO 537 Ca 0.14 0.59 0.20 0.00 -2.02 0.00 0.00 63.50 62.40 3hsn n PRO 537 Cb 0.39 -2.32 0.44 0.00 -0.02 0.00 0.00 33.50 31.99 3hsn n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hsn h PRO 538 N 7.10 0.48 0.00 0.52 0.11 -1.95 0.41 132.00 138.67 3hsn h PRO 538 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hsn h PRO 538 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hsn h PRO 538 CO 0.91 0.32 0.00 1.05 -0.21 0.00 0.00 178.00 180.07 3hsn h GLU 539 N 0.50 0.00 0.00 1.05 9.09 -2.03 -1.74 114.58 121.44 3hsn h GLU 539 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 3hsn h GLU 539 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.45 3hsn h GLU 539 CO -0.38 0.00 -0.64 1.28 0.05 0.00 0.00 179.01 179.32 3hsn n LEU 540 N -2.82 0.60 -4.40 3.06 4.77 0.13 -4.80 117.00 113.54 3hsn n LEU 540 Ca -0.02 -0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.47 3hsn n LEU 540 Cb 0.09 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3hsn n LEU 540 CO 0.18 0.12 0.33 -0.69 -1.33 0.00 0.00 177.39 176.00 3hsn s VAL 541 N -3.04 4.90 -0.12 4.08 1.01 -0.66 -4.78 120.40 121.79 3hsn s VAL 541 Ca 0.09 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 3hsn s VAL 541 Cb 0.17 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3hsn s VAL 541 CO 0.74 -0.94 0.78 -0.22 0.00 0.00 0.00 175.10 175.45 3hsn s LEU 542 N 2.52 4.23 0.16 3.92 2.96 -1.26 -5.02 118.68 126.20 3hsn s LEU 542 Ca 0.12 1.18 0.08 0.00 -0.22 0.00 0.00 54.13 55.29 3hsn s LEU 542 Cb -0.23 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3hsn s LEU 542 CO 0.08 -0.28 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.05 3hsn s GLU 543 N 1.58 1.25 -0.18 1.98 2.02 -1.26 -1.19 118.70 122.90 3hsn s GLU 543 Ca 0.38 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 53.98 3hsn s GLU 543 Cb -0.17 -1.27 0.03 0.00 0.10 0.00 0.00 34.13 32.82 3hsn s GLU 543 CO 0.15 0.26 -0.14 0.08 0.02 0.00 0.00 175.26 175.63 3hsn s VAL 544 N -2.09 1.76 0.25 2.63 1.01 0.51 -4.91 120.40 119.55 3hsn s VAL 544 Ca 0.15 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3hsn s VAL 544 Cb -0.05 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 3hsn s VAL 544 CO 0.06 0.34 1.20 -2.16 0.00 0.00 0.00 175.10 174.55 3hsn s PRO 545 N 1.38 4.50 -0.22 2.72 0.05 -1.26 -1.73 135.00 140.43 3hsn s PRO 545 Ca 0.02 1.95 -0.14 0.00 0.05 0.00 0.00 61.00 62.88 3hsn s PRO 545 Cb -0.15 -3.18 -0.04 0.00 0.05 0.00 0.00 34.50 31.18 3hsn s PRO 545 CO -0.10 -0.03 0.31 0.42 0.05 0.00 0.00 177.00 177.65 3hsn s ILE 546 N -0.66 5.25 0.24 0.56 -1.09 0.29 -4.88 121.20 120.92 3hsn s ILE 546 Ca 0.50 0.51 0.03 0.00 -2.23 0.00 0.00 60.65 59.45 3hsn s ILE 546 Cb -0.35 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3hsn s ILE 546 CO 0.42 0.27 0.03 0.00 -1.23 0.00 0.00 174.94 174.43 3hsn s ARG 547 N 1.34 1.37 -0.04 2.79 3.03 -1.26 -4.12 118.95 122.06 3hsn s ARG 547 Ca 0.14 -1.71 0.02 0.00 2.03 0.00 0.00 55.73 56.22 3hsn s ARG 547 Cb -0.14 -0.52 -0.03 0.00 -1.03 0.00 0.00 34.95 33.23 3hsn s ARG 547 CO 0.07 -0.16 -0.10 -1.58 -1.13 0.00 0.00 175.30 172.40 3hsn s HIS 548 N -3.52 2.84 0.36 5.89 2.46 -1.26 -4.45 115.29 117.61 3hsn s HIS 548 Ca 0.31 -0.06 0.19 0.00 0.47 0.00 0.00 55.06 55.98 3hsn s HIS 548 Cb 0.07 -1.65 1.02 0.00 -0.13 0.00 0.00 32.58 31.88 3hsn s HIS 548 CO 0.10 0.29 1.92 -1.00 -2.47 0.00 0.00 174.74 173.59 3hsn h PRO 549 N 5.08 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 134.86 3hsn h PRO 549 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 3hsn h PRO 549 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3hsn h PRO 549 CO 0.52 0.25 -2.01 1.63 -0.23 0.00 0.00 178.00 178.16 3hsn n LYS 550 N -3.86 1.16 -3.25 0.86 5.02 -1.26 -4.94 118.16 111.89 3hsn n LYS 550 Ca -0.02 0.04 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 3hsn n LYS 550 Cb 0.34 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3hsn n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3hsn s PHE 551 N -2.36 3.13 -0.28 2.13 0.08 -1.25 -4.92 117.98 114.52 3hsn s PHE 551 Ca -0.14 -0.83 0.28 0.00 0.12 0.00 0.00 56.93 56.35 3hsn s PHE 551 Cb 0.05 -3.52 1.03 0.00 -0.57 0.00 0.00 43.02 40.01 3hsn s PHE 551 CO 0.52 -0.99 1.82 0.22 -0.10 0.00 0.00 175.22 176.68 3hsn h ASP 552 N 8.93 0.00 0.93 1.36 3.58 -1.92 -1.71 116.42 127.59 3hsn h ASP 552 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3hsn h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3hsn h ASP 552 CO 0.97 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.66 3hsn n TRP 553 N -2.70 0.66 -0.25 0.28 4.27 -1.26 -3.86 117.44 114.58 3hsn n TRP 553 Ca 0.02 0.23 -0.06 0.00 -3.89 0.00 0.00 57.50 53.81 3hsn n TRP 553 Cb 0.33 -0.88 0.05 0.00 -1.36 0.00 0.00 31.31 29.45 3hsn n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3hsn h PHE 554 N 0.00 0.95 -0.31 -2.67 3.04 -1.67 -2.08 116.94 114.20 3hsn h PHE 554 Ca 0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 3hsn h PHE 554 Cb 0.47 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3hsn h PHE 554 CO 0.00 0.65 0.22 1.57 -2.02 0.00 0.00 178.31 178.73 3hsn h LYS 555 N 0.96 0.03 -0.00 1.11 2.10 -1.72 -1.57 116.57 117.49 3hsn h LYS 555 Ca 0.25 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3hsn h LYS 555 Cb -0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3hsn h LYS 555 CO -0.04 0.02 -0.00 -0.25 -2.00 0.00 0.00 179.45 177.17 3hsn n ASP 556 N -4.45 0.10 0.21 7.07 8.00 -0.78 -1.96 116.55 124.74 3hsn n ASP 556 Ca 0.04 -0.88 0.15 0.00 0.71 0.00 0.00 54.79 54.81 3hsn n ASP 556 Cb 0.37 -0.05 0.67 0.00 -0.02 0.00 0.00 41.12 42.10 3hsn n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hsn h LEU 557 N 0.15 0.00 0.25 0.64 3.38 -1.34 -3.47 115.31 114.92 3hsn h LEU 557 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hsn h LEU 557 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hsn h LEU 557 CO 0.00 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.06 3hsn n GLY 558 N -0.34 0.64 3.79 0.83 0.00 -0.83 -5.02 105.19 104.27 3hsn n GLY 558 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 3hsn n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsn s LEU 559 N -0.98 4.43 0.18 0.99 1.43 -1.26 -5.00 118.68 118.47 3hsn s LEU 559 Ca 0.00 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 54.63 3hsn s LEU 559 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3hsn s LEU 559 CO 0.00 0.07 0.30 -1.59 0.23 0.00 0.00 176.35 175.36 3hsn s LYS 560 N -1.71 1.24 0.20 1.70 -2.85 -1.26 -0.55 119.74 116.50 3hsn s LYS 560 Ca 0.43 -1.24 -0.06 0.00 -1.00 0.00 0.00 55.97 54.10 3hsn s LYS 560 Cb -0.19 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 3hsn s LYS 560 CO 0.24 -0.46 0.25 -0.46 0.10 0.00 0.00 175.35 175.02 3hsn s TRP 561 N -4.00 0.75 0.22 1.78 -0.11 -0.70 -4.93 118.94 111.95 3hsn s TRP 561 Ca 0.20 -1.06 -0.06 0.00 1.22 0.00 0.00 56.10 56.41 3hsn s TRP 561 Cb 0.03 -0.24 -0.06 0.00 -1.50 0.00 0.00 33.47 31.70 3hsn s TRP 561 CO 0.03 -0.74 0.49 1.52 -4.62 0.00 0.00 176.95 173.63 3hsn s TYR 562 N -4.07 3.46 0.01 5.86 -0.85 -1.26 -0.36 117.35 120.14 3hsn s TYR 562 Ca 0.28 0.68 0.12 0.00 -0.52 0.00 0.00 57.07 57.63 3hsn s TYR 562 Cb 0.04 -2.11 0.05 0.00 0.38 0.00 0.00 41.96 40.32 3hsn s TYR 562 CO 0.08 0.29 1.43 0.78 -1.52 0.00 0.00 175.55 176.60 3hsn h GLY 563 N 2.32 0.00 -7.61 5.49 0.00 -1.50 -3.45 103.07 98.32 3hsn h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.16 3hsn h GLY 563 CO 0.69 0.00 -0.57 -2.27 0.00 0.00 0.00 176.54 174.40 3hsn s LEU 564 N -6.70 4.60 -0.23 3.11 2.96 -1.26 -4.56 118.68 116.61 3hsn s LEU 564 Ca 0.02 -1.29 -0.23 0.00 -0.22 0.00 0.00 54.13 52.42 3hsn s LEU 564 Cb 0.09 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hsn s LEU 564 CO 0.77 -0.39 0.73 -2.16 -1.32 0.00 0.00 176.35 173.97 3hsn s PRO 565 N 1.39 4.18 -0.44 0.98 0.04 -1.26 -4.67 135.00 135.22 3hsn s PRO 565 Ca 0.00 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.86 3hsn s PRO 565 Cb -0.21 -3.62 0.18 0.00 0.04 0.00 0.00 34.50 30.90 3hsn s PRO 565 CO 0.02 -0.40 0.39 0.00 0.04 0.00 0.00 177.00 177.06 3hsn n ALA 566 N 5.61 2.88 -1.68 8.56 0.00 -1.26 -3.26 120.51 131.36 3hsn n ALA 566 Ca 0.02 -3.34 -0.49 0.00 0.00 0.00 0.00 53.44 49.64 3hsn n ALA 566 Cb 0.49 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 3hsn n ALA 566 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hsn n VAL 567 N 2.47 0.39 -0.18 0.00 0.31 -0.83 -0.82 118.33 119.67 3hsn n VAL 567 Ca 0.28 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3hsn n VAL 567 Cb 0.47 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 3hsn n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hsn n SER 568 N 5.57 1.16 -0.46 4.52 3.41 -0.11 -1.81 113.62 125.90 3hsn n SER 568 Ca 0.21 -1.34 0.04 0.00 -0.26 0.00 0.00 58.87 57.52 3hsn n SER 568 Cb 0.28 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3hsn n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hsn n ASN 569 N -0.17 2.63 -4.97 4.04 6.94 -1.24 -4.44 115.26 118.06 3hsn n ASN 569 Ca 0.00 -1.97 -0.21 0.00 -0.02 0.00 0.00 54.58 52.38 3hsn n ASN 569 Cb 0.15 -0.16 0.02 0.00 -2.36 0.00 0.00 39.78 37.43 3hsn n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hsn s MET 570 N -0.99 2.78 -0.10 -3.83 -1.94 -1.26 -4.32 119.30 109.64 3hsn s MET 570 Ca 0.17 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 3hsn s MET 570 Cb 0.09 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 3hsn s MET 570 CO 0.11 -0.49 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.31 3hsn s LEU 571 N -4.63 2.61 -0.28 -0.03 0.20 0.04 -4.40 118.68 112.19 3hsn s LEU 571 Ca 0.53 -0.33 -0.09 0.00 0.69 0.00 0.00 54.13 54.93 3hsn s LEU 571 Cb -0.10 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 3hsn s LEU 571 CO 0.38 0.22 0.12 -0.22 -0.29 0.00 0.00 176.35 176.55 3hsn s LEU 572 N 0.04 3.84 -0.23 -0.68 2.96 -0.39 -0.00 118.68 124.22 3hsn s LEU 572 Ca -0.06 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 3hsn s LEU 572 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3hsn s LEU 572 CO 0.05 -0.12 0.11 -0.70 -1.32 0.00 0.00 176.35 174.36 3hsn s GLU 573 N 1.62 3.94 -0.14 1.98 2.12 0.33 -0.57 118.70 127.98 3hsn s GLU 573 Ca 0.05 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 3hsn s GLU 573 Cb -0.16 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 30.87 3hsn s GLU 573 CO 0.05 0.06 0.02 0.42 -0.54 0.00 0.00 175.26 175.27 3hsn s ILE 574 N 1.01 0.47 -1.49 -3.70 1.01 -0.71 -1.16 121.20 116.63 3hsn s ILE 574 Ca 0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3hsn s ILE 574 Cb -0.14 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.53 3hsn s ILE 574 CO 0.04 0.00 0.65 0.61 0.00 0.00 0.00 174.94 176.23 3hsn n GLY 575 N 5.09 -0.52 2.19 6.18 0.00 -1.26 -1.25 105.19 115.62 3hsn n GLY 575 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hsn n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsn n GLY 576 N -1.50 3.06 3.81 -0.02 0.00 -1.26 -3.35 105.19 105.92 3hsn n GLY 576 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3hsn n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsn s LEU 577 N 0.00 4.01 -0.24 0.99 1.43 -0.38 -4.97 118.68 119.52 3hsn s LEU 577 Ca 0.00 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3hsn s LEU 577 Cb 0.00 -4.42 0.04 0.00 0.03 0.00 0.00 46.19 41.84 3hsn s LEU 577 CO 0.00 -0.39 -0.11 -1.61 0.23 0.00 0.00 176.35 174.47 3hsn s GLU 578 N -2.92 2.60 -0.68 1.70 2.02 -1.26 -1.74 118.70 118.41 3hsn s GLU 578 Ca 0.60 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 54.35 3hsn s GLU 578 Cb -0.13 -2.87 0.18 0.00 0.10 0.00 0.00 34.13 31.41 3hsn s GLU 578 CO 0.17 -0.44 0.60 -0.06 0.02 0.00 0.00 175.26 175.55 3hsn s PHE 579 N 1.22 3.55 -0.59 1.61 0.08 0.26 -0.08 117.98 124.03 3hsn s PHE 579 Ca -0.03 -1.94 0.24 0.00 0.12 0.00 0.00 56.93 55.33 3hsn s PHE 579 Cb -0.17 -3.68 0.92 0.00 -0.57 0.00 0.00 43.02 39.52 3hsn s PHE 579 CO -0.06 -0.97 1.73 -1.13 -0.10 0.00 0.00 175.22 174.68 3hsn n SER 580 N 4.31 0.69 -3.89 1.36 3.41 -1.26 -1.26 113.62 116.98 3hsn n SER 580 Ca 0.04 0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 58.98 3hsn n SER 580 Cb 0.43 -0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 63.43 3hsn n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsn s ALA 581 N -3.23 1.76 -0.40 7.33 0.00 -1.21 -4.61 121.76 121.40 3hsn s ALA 581 Ca 0.07 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 50.88 3hsn s ALA 581 Cb 0.11 -1.40 0.37 0.00 0.00 0.00 0.00 23.12 22.20 3hsn s ALA 581 CO 0.46 -1.21 1.14 0.00 0.00 0.00 0.00 175.76 176.15 3hsn n PRO 583 N -0.10 1.85 -3.99 0.00 -0.04 -1.20 -4.70 135.00 126.81 3hsn n PRO 583 Ca 0.05 0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 64.06 3hsn n PRO 583 Cb 0.77 -2.21 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 3hsn n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hsn s PHE 584 N -0.58 0.34 -0.00 0.54 -0.12 -0.75 -1.73 117.98 115.67 3hsn s PHE 584 Ca 0.63 -0.49 -0.02 0.00 -0.05 0.00 0.00 56.93 57.00 3hsn s PHE 584 Cb -0.65 -0.23 -0.00 0.00 -0.63 0.00 0.00 43.02 41.50 3hsn s PHE 584 CO 0.56 -0.16 0.03 -1.54 -0.05 0.00 0.00 175.22 174.06 3hsn s SER 585 N -1.40 0.07 0.00 1.98 1.04 -0.37 -1.97 113.70 113.05 3hsn s SER 585 Ca -0.14 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3hsn s SER 585 Cb -0.09 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3hsn s SER 585 CO -0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3hsn n GLY 586 N 2.35 2.19 3.22 7.32 0.00 -1.20 -1.72 105.19 117.34 3hsn n GLY 586 Ca -0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3hsn n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hsn s TRP 587 N 2.54 0.09 0.36 1.61 -2.14 -1.26 -4.65 118.94 115.49 3hsn s TRP 587 Ca 0.00 -0.50 -0.27 0.00 2.66 0.00 0.00 56.10 57.99 3hsn s TRP 587 Cb 0.00 -0.01 -0.09 0.00 -3.10 0.00 0.00 33.47 30.27 3hsn s TRP 587 CO 0.00 -0.56 1.16 0.71 -2.66 0.00 0.00 176.95 175.60 3hsn s TYR 588 N -3.81 3.20 -0.00 1.66 2.02 -1.26 -4.91 117.35 114.25 3hsn s TYR 588 Ca 0.04 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.12 3hsn s TYR 588 Cb 0.04 -3.39 -0.06 0.00 -0.40 0.00 0.00 41.96 38.16 3hsn s TYR 588 CO -0.11 -1.16 0.56 1.41 -1.57 0.00 0.00 175.55 174.68 3hsn s MET 589 N -2.03 4.26 0.34 -0.62 -2.45 -1.26 -1.42 119.30 116.12 3hsn s MET 589 Ca 0.53 0.68 0.08 0.00 -1.25 0.00 0.00 55.69 55.72 3hsn s MET 589 Cb -0.32 -3.32 0.77 0.00 1.25 0.00 0.00 34.83 33.22 3hsn s MET 589 CO 0.40 0.43 1.85 0.78 1.05 0.00 0.00 175.02 179.53 3hsn h GLY 590 N 5.45 1.33 2.00 2.11 0.00 -1.26 -2.07 103.07 110.63 3hsn h GLY 590 Ca -0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3hsn h GLY 590 CO 0.68 0.08 -0.11 -0.91 0.00 0.00 0.00 176.54 176.28 3hsn h THR 591 N 0.74 0.77 -0.51 4.70 1.35 -1.94 0.13 112.91 118.14 3hsn h THR 591 Ca 0.47 -0.44 0.07 0.00 -0.55 0.00 0.00 66.41 65.97 3hsn h THR 591 Cb 0.72 1.26 -0.06 0.00 -1.73 0.00 0.00 68.15 68.34 3hsn h THR 591 CO -0.23 0.11 0.17 -0.33 -0.25 0.00 0.00 175.52 174.99 3hsn h GLU 592 N 0.00 0.33 0.00 4.72 5.08 -1.78 0.23 114.58 123.16 3hsn h GLU 592 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hsn h GLU 592 Cb 0.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hsn h GLU 592 CO 0.01 0.22 -0.05 0.82 -1.00 0.00 0.00 179.01 179.02 3hsn h ILE 593 N 0.34 0.69 -0.31 3.13 2.04 -1.60 -1.91 117.51 119.89 3hsn h ILE 593 Ca 0.25 -1.53 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 3hsn h ILE 593 Cb 0.28 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3hsn h ILE 593 CO -0.26 0.24 -0.19 1.23 0.00 0.00 0.00 178.15 179.16 3hsn h GLY 594 N -1.00 0.63 0.00 5.37 0.00 -0.77 -0.67 103.07 106.63 3hsn h GLY 594 Ca -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3hsn h GLY 594 CO -0.01 0.45 -0.99 -0.62 0.00 0.00 0.00 176.54 175.37 3hsn n VAL 595 N -4.14 1.47 -0.04 4.60 0.31 0.03 -4.20 118.33 116.35 3hsn n VAL 595 Ca 0.00 0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 64.36 3hsn n VAL 595 Cb 0.38 -2.25 -0.05 0.00 -0.91 0.00 0.00 33.84 31.02 3hsn n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hsn h ARG 596 N -1.00 -0.03 -0.37 5.55 2.47 -1.46 -2.04 114.38 117.50 3hsn h ARG 596 Ca -0.16 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.45 3hsn h ARG 596 Cb 0.91 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 3hsn h ARG 596 CO -0.10 0.30 -0.22 -0.44 0.56 0.00 0.00 179.97 180.07 3hsn h ASP 597 N -1.00 0.73 0.37 7.04 3.32 -1.09 -2.11 116.42 123.69 3hsn h ASP 597 Ca -0.00 -0.26 -0.32 0.00 0.02 0.00 0.00 57.03 56.47 3hsn h ASP 597 Cb 0.35 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3hsn h ASP 597 CO 0.01 0.93 -1.72 1.88 -1.72 0.00 0.00 179.24 178.62 3hsn h TYR 598 N 0.63 0.31 0.00 4.55 0.05 -1.30 -2.28 116.97 118.94 3hsn h TYR 598 Ca 0.09 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3hsn h TYR 598 Cb 0.71 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.44 3hsn h TYR 598 CO 0.03 1.38 -0.73 0.00 -1.05 0.00 0.00 178.16 177.80 3hsn n ASP 600 N -1.40 2.47 0.08 0.00 9.92 -0.80 -4.67 116.55 122.15 3hsn n ASP 600 Ca 0.00 1.20 0.05 0.00 -0.53 0.00 0.00 54.79 55.51 3hsn n ASP 600 Cb 0.15 -1.45 0.49 0.00 -0.64 0.00 0.00 41.12 39.67 3hsn n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3hsn h ASN 601 N 2.42 0.33 -0.33 -2.24 2.35 -1.92 -2.58 115.58 113.62 3hsn h ASN 601 Ca -0.45 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3hsn h ASN 601 Cb 1.29 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3hsn h ASN 601 CO 0.62 0.24 0.00 -1.54 -1.65 0.00 0.00 177.43 175.10 3hsn n SER 602 N -4.49 2.22 0.00 5.81 3.41 -1.26 -4.67 113.62 114.63 3hsn n SER 602 Ca 0.01 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3hsn n SER 602 Cb 0.07 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3hsn n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hsn n ARG 603 N 0.69 0.73 0.27 4.33 5.12 -0.99 -4.26 116.66 122.55 3hsn n ARG 603 Ca 0.16 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.24 3hsn n ARG 603 Cb 0.38 0.00 0.59 0.00 -1.16 0.00 0.00 32.46 32.27 3hsn n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3hsn h TYR 604 N 0.00 0.00 -6.11 -1.55 -1.99 -1.57 -3.41 116.97 102.34 3hsn h TYR 604 Ca 0.00 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.32 3hsn h TYR 604 Cb 0.00 0.00 0.10 0.00 2.00 0.00 0.00 36.73 38.83 3hsn h TYR 604 CO 0.00 0.00 -0.92 -1.71 -0.00 0.00 0.00 178.16 175.53 3hsn n ASN 605 N -3.10 -5.09 -0.92 3.88 5.15 0.17 -4.91 115.26 110.44 3hsn n ASN 605 Ca 0.01 -0.96 0.12 0.00 -0.60 0.00 0.00 54.58 53.15 3hsn n ASN 605 Cb 0.35 -3.68 0.19 0.00 -0.53 0.00 0.00 39.78 36.11 3hsn n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3hsn n ILE 606 N -4.06 0.11 -0.20 -1.44 -5.35 0.11 -4.60 119.36 103.93 3hsn n ILE 606 Ca -0.11 -0.51 -0.01 0.00 -0.27 0.00 0.00 62.75 61.86 3hsn n ILE 606 Cb 0.60 1.22 0.10 0.00 -1.74 0.00 0.00 39.64 39.83 3hsn n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hsn h LEU 607 N 4.26 0.29 -0.23 7.28 3.38 -1.87 -2.16 115.31 126.25 3hsn h LEU 607 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hsn h LEU 607 Cb 0.91 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3hsn h LEU 607 CO 0.00 0.18 0.06 -0.33 0.09 0.00 0.00 178.44 178.44 3hsn h GLU 608 N 0.45 0.37 -0.33 1.13 5.08 -1.99 -1.30 114.58 117.99 3hsn h GLU 608 Ca 0.30 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3hsn h GLU 608 Cb 0.33 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hsn h GLU 608 CO -0.27 0.47 0.15 1.49 -1.00 0.00 0.00 179.01 179.84 3hsn h GLU 609 N 0.20 0.30 -0.26 2.33 4.81 -1.80 0.93 114.58 121.09 3hsn h GLU 609 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3hsn h GLU 609 Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hsn h GLU 609 CO -0.00 0.20 0.12 0.28 -0.73 0.00 0.00 179.01 178.88 3hsn h VAL 610 N 0.31 0.98 -0.56 0.32 2.07 -1.29 -2.43 116.25 115.65 3hsn h VAL 610 Ca 0.14 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3hsn h VAL 610 Cb 0.07 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3hsn h VAL 610 CO -0.11 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.60 3hsn h ALA 611 N 1.14 1.08 -0.16 1.67 0.00 -0.80 -0.65 119.26 121.55 3hsn h ALA 611 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hsn h ALA 611 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hsn h ALA 611 CO -0.08 0.59 0.06 0.87 0.00 0.00 0.00 179.25 180.70 3hsn h LYS 612 N 0.86 0.14 0.00 0.00 1.57 -0.76 -1.89 116.57 116.49 3hsn h LYS 612 Ca 0.17 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3hsn h LYS 612 Cb 0.39 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hsn h LYS 612 CO 0.01 0.09 -0.12 0.87 -0.57 0.00 0.00 179.45 179.73 3hsn h LYS 613 N 0.15 0.00 -0.00 3.15 1.79 -1.07 -1.79 116.57 118.80 3hsn h LYS 613 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3hsn h LYS 613 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3hsn h LYS 613 CO -0.06 0.12 -0.14 -1.33 -1.08 0.00 0.00 179.45 176.96 3hsn n MET 614 N -3.61 0.03 -3.69 3.15 2.81 -0.28 -4.95 117.12 110.56 3hsn n MET 614 Ca -0.02 -0.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.64 3hsn n MET 614 Cb 0.25 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 3hsn n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hsn n ASP 615 N -1.48 -1.91 -4.90 7.83 2.03 -0.67 -5.00 116.55 112.45 3hsn n ASP 615 Ca 0.07 -0.86 -0.28 0.00 0.52 0.00 0.00 54.79 54.24 3hsn n ASP 615 Cb 0.34 -3.95 -0.02 0.00 -0.72 0.00 0.00 41.12 36.77 3hsn n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hsn s LEU 616 N -6.60 3.77 -0.54 -2.67 1.43 -1.00 -5.02 118.68 108.05 3hsn s LEU 616 Ca 0.09 0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 53.86 3hsn s LEU 616 Cb -0.02 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.35 3hsn s LEU 616 CO 0.82 -0.46 1.22 -0.62 0.23 0.00 0.00 176.35 177.55 3hsn s ASP 617 N -3.64 6.45 0.00 2.29 2.15 -1.26 -4.85 116.67 117.81 3hsn s ASP 617 Ca 0.48 0.28 0.23 0.00 0.43 0.00 0.00 52.55 53.97 3hsn s ASP 617 Cb -0.10 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.60 3hsn s ASP 617 CO 0.38 -1.45 1.53 0.23 -0.17 0.00 0.00 175.17 175.69 3hsn n MET 618 N 8.29 2.68 0.16 4.34 2.81 -1.26 -4.38 117.12 129.77 3hsn n MET 618 Ca 0.11 -2.61 0.02 0.00 -1.81 0.00 0.00 57.70 53.40 3hsn n MET 618 Cb 0.49 -1.57 0.27 0.00 -0.71 0.00 0.00 33.22 31.70 3hsn n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hsn h ARG 619 N 4.31 0.00 -3.52 0.03 3.08 -2.05 -3.45 114.38 112.79 3hsn h ARG 619 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3hsn h ARG 619 Cb 0.98 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.76 3hsn h ARG 619 CO 0.00 0.49 -0.63 -1.59 -1.07 0.00 0.00 179.97 177.17 3hsn s LYS 620 N -3.79 0.09 0.49 0.04 -2.85 -1.26 -5.04 119.74 107.42 3hsn s LYS 620 Ca -0.01 0.13 0.18 0.00 -1.00 0.00 0.00 55.97 55.26 3hsn s LYS 620 Cb 0.13 0.02 1.21 0.00 -2.06 0.00 0.00 37.83 37.13 3hsn s LYS 620 CO 0.73 -0.03 2.04 1.79 0.10 0.00 0.00 175.35 179.99 3hsn h THR 621 N 5.13 0.89 0.00 3.79 1.35 -1.91 -2.84 112.91 119.32 3hsn h THR 621 Ca -0.26 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3hsn h THR 621 Cb 1.20 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3hsn h THR 621 CO 0.46 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 3hsn n SER 622 N -4.46 0.10 0.19 5.36 3.41 -1.26 -0.17 113.62 116.78 3hsn n SER 622 Ca 0.05 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 3hsn n SER 622 Cb 0.34 -0.55 0.59 0.00 -0.26 0.00 0.00 64.21 64.33 3hsn n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hsn h SER 623 N 0.00 0.00 -5.46 4.04 4.64 -1.79 -3.47 113.55 111.51 3hsn h SER 623 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3hsn h SER 623 Cb 0.18 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.38 3hsn h SER 623 CO 0.00 0.00 -0.66 0.18 -0.87 0.00 0.00 176.83 175.48 3hsn n LEU 624 N -2.56 -3.19 -0.17 5.97 4.77 0.75 -4.92 117.00 117.67 3hsn n LEU 624 Ca 0.01 -0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 55.49 3hsn n LEU 624 Cb 0.24 -3.02 0.17 0.00 -2.33 0.00 0.00 43.42 38.48 3hsn n LEU 624 CO 0.22 0.53 1.00 4.11 -1.33 0.00 0.00 177.39 181.92 3hsn h TRP 625 N -2.33 0.94 -0.24 -1.77 5.08 -1.82 -1.38 115.95 114.42 3hsn h TRP 625 Ca -0.56 -0.08 0.00 0.00 1.08 0.00 0.00 58.89 59.33 3hsn h TRP 625 Cb 1.37 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.24 3hsn h TRP 625 CO 0.51 0.76 0.16 0.87 -1.28 0.00 0.00 178.44 179.46 3hsn h LYS 626 N 0.88 0.32 -0.71 0.12 1.57 -1.91 -2.01 116.57 114.84 3hsn h LYS 626 Ca 0.20 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3hsn h LYS 626 Cb 0.27 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3hsn h LYS 626 CO -0.01 0.23 0.24 -0.44 -0.57 0.00 0.00 179.45 178.90 3hsn h ASP 627 N 0.32 0.99 -0.27 0.86 5.19 -1.88 -0.90 116.42 120.73 3hsn h ASP 627 Ca 0.09 -0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.25 3hsn h ASP 627 Cb -0.02 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 3hsn h ASP 627 CO -0.02 0.91 -0.17 -0.61 -3.12 0.00 0.00 179.24 176.23 3hsn h GLN 628 N 1.04 0.59 -0.73 3.56 4.15 -1.11 -2.50 115.11 120.11 3hsn h GLN 628 Ca 0.23 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3hsn h GLN 628 Cb 0.25 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3hsn h GLN 628 CO -0.01 0.86 0.35 0.00 -1.93 0.00 0.00 178.83 178.09 3hsn h ALA 629 N 0.72 1.24 -0.45 3.38 0.00 -1.29 -2.82 119.26 120.05 3hsn h ALA 629 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hsn h ALA 629 Cb 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hsn h ALA 629 CO 0.05 0.58 0.26 1.25 0.00 0.00 0.00 179.25 181.39 3hsn h LEU 630 N 1.03 0.56 -0.63 0.00 5.85 -1.04 -1.84 115.31 119.24 3hsn h LEU 630 Ca 0.25 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hsn h LEU 630 Cb 0.10 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hsn h LEU 630 CO -0.03 0.47 0.33 0.58 -0.34 0.00 0.00 178.44 179.45 3hsn h VAL 631 N 0.60 1.21 -0.52 1.05 2.07 -1.30 -2.39 116.25 116.96 3hsn h VAL 631 Ca 0.16 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 3hsn h VAL 631 Cb 0.03 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3hsn h VAL 631 CO -0.03 0.23 0.06 -0.33 0.02 0.00 0.00 177.57 177.52 3hsn h GLU 632 N 0.87 0.84 -0.52 1.57 4.39 -1.25 -0.54 114.58 119.95 3hsn h GLU 632 Ca 0.22 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3hsn h GLU 632 Cb 0.07 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3hsn h GLU 632 CO -0.03 0.81 0.00 0.82 -1.16 0.00 0.00 179.01 179.45 3hsn h ILE 633 N 0.80 1.25 0.00 3.13 2.04 -1.15 -1.96 117.51 121.62 3hsn h ILE 633 Ca 0.16 -1.05 -0.15 0.00 1.00 0.00 0.00 64.86 64.82 3hsn h ILE 633 Cb 0.39 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3hsn h ILE 633 CO 0.01 0.38 -0.72 0.78 0.00 0.00 0.00 178.15 178.59 3hsn h ASN 634 N 0.81 0.00 -0.59 1.72 2.35 -0.96 -2.02 115.58 116.88 3hsn h ASN 634 Ca 0.15 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3hsn h ASN 634 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3hsn h ASN 634 CO 0.02 0.72 0.02 0.40 -1.65 0.00 0.00 177.43 176.94 3hsn h ILE 635 N 0.00 1.26 -0.56 2.81 2.04 -0.86 -2.83 117.51 119.38 3hsn h ILE 635 Ca -0.01 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.64 3hsn h ILE 635 Cb 1.36 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3hsn h ILE 635 CO 0.09 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.64 3hsn h ALA 636 N 1.04 0.75 -0.18 1.87 0.00 -1.15 -0.58 119.26 121.02 3hsn h ALA 636 Ca 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hsn h ALA 636 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hsn h ALA 636 CO 0.03 0.59 0.03 0.28 0.00 0.00 0.00 179.25 180.18 3hsn h VAL 637 N 0.88 1.22 -0.30 0.00 2.07 -1.33 -1.39 116.25 117.41 3hsn h VAL 637 Ca 0.16 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hsn h VAL 637 Cb 0.56 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hsn h VAL 637 CO 0.03 0.22 0.08 -0.07 0.02 0.00 0.00 177.57 177.85 3hsn h LEU 638 N 0.08 0.45 -0.83 2.57 3.38 -1.44 -2.43 115.31 117.09 3hsn h LEU 638 Ca 0.05 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3hsn h LEU 638 Cb 0.31 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3hsn h LEU 638 CO 0.00 0.56 0.51 0.22 0.09 0.00 0.00 178.44 179.82 3hsn h TYR 639 N 0.32 0.94 -0.28 1.13 3.20 -1.02 -1.72 116.97 119.54 3hsn h TYR 639 Ca 0.10 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3hsn h TYR 639 Cb 0.28 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3hsn h TYR 639 CO 0.01 0.47 -0.13 0.77 -1.64 0.00 0.00 178.16 177.64 3hsn h SER 640 N 0.92 0.60 -0.16 -2.11 0.02 -1.07 -1.11 113.55 110.64 3hsn h SER 640 Ca 0.36 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3hsn h SER 640 Cb 0.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hsn h SER 640 CO -0.18 0.87 0.00 -0.26 -1.14 0.00 0.00 176.83 176.13 3hsn h PHE 641 N 0.32 0.30 -0.85 3.45 -1.00 -1.31 -2.09 116.94 115.76 3hsn h PHE 641 Ca 0.06 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.82 3hsn h PHE 641 Cb 0.65 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 40.08 3hsn h PHE 641 CO 0.06 0.49 0.55 1.96 -1.61 0.00 0.00 178.31 179.76 3hsn h GLN 642 N 0.03 1.05 -0.36 1.51 4.20 -1.34 -0.26 115.11 119.94 3hsn h GLN 642 Ca 0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3hsn h GLN 642 Cb 0.36 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3hsn h GLN 642 CO 0.01 0.70 -0.07 0.77 -0.67 0.00 0.00 178.83 179.56 3hsn h SER 643 N 1.08 0.58 -0.19 1.46 0.02 -1.08 -1.93 113.55 113.49 3hsn h SER 643 Ca 0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3hsn h SER 643 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3hsn h SER 643 CO -0.11 0.70 0.00 0.47 -1.14 0.00 0.00 176.83 176.75 3hsn n ASP 644 N -4.21 1.80 -3.32 3.07 8.00 -0.80 -4.94 116.55 116.15 3hsn n ASP 644 Ca 0.01 -1.74 -0.20 0.00 0.71 0.00 0.00 54.79 53.57 3hsn n ASP 644 Cb 0.31 -0.12 0.08 0.00 -0.02 0.00 0.00 41.12 41.37 3hsn n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hsn n LYS 645 N 0.42 -6.89 -4.57 -1.24 5.02 -0.27 -5.00 118.16 105.63 3hsn n LYS 645 Ca 0.16 0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 56.90 3hsn n LYS 645 Cb 0.35 -5.64 -0.13 0.00 -0.02 0.00 0.00 35.03 29.59 3hsn n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hsn s VAL 646 N -3.31 3.40 0.22 -0.18 1.01 -0.29 -4.32 120.40 116.94 3hsn s VAL 646 Ca 0.31 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3hsn s VAL 646 Cb -0.14 -2.46 -0.13 0.00 0.00 0.00 0.00 36.38 33.65 3hsn s VAL 646 CO 0.68 0.51 1.57 0.41 0.00 0.00 0.00 175.10 178.26 3hsn n THR 647 N 3.61 0.50 -3.62 3.92 -1.04 -0.37 -4.23 114.28 113.05 3hsn n THR 647 Ca -0.18 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.57 3hsn n THR 647 Cb 0.52 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 3hsn n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3hsn s ILE 648 N 0.49 0.04 -0.03 12.58 2.07 -1.26 -4.40 121.20 130.69 3hsn s ILE 648 Ca 0.72 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 59.66 3hsn s ILE 648 Cb -0.59 -0.95 -0.00 0.00 0.13 0.00 0.00 42.46 41.04 3hsn s ILE 648 CO 0.42 -0.18 -0.14 0.54 -1.91 0.00 0.00 174.94 173.67 3hsn s VAL 649 N -2.38 1.17 0.61 4.00 0.11 -0.51 -5.01 120.40 118.39 3hsn s VAL 649 Ca -0.06 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 3hsn s VAL 649 Cb -0.01 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 3hsn s VAL 649 CO -0.01 0.34 1.02 1.51 -3.33 0.00 0.00 175.10 174.63 3hsn s ASP 650 N -0.04 6.28 0.51 3.54 1.47 -1.26 -0.74 116.67 126.43 3hsn s ASP 650 Ca -0.01 1.44 0.29 0.00 1.18 0.00 0.00 52.55 55.45 3hsn s ASP 650 Cb -0.09 -2.47 1.34 0.00 -0.34 0.00 0.00 42.92 41.36 3hsn s ASP 650 CO 0.01 -0.84 2.00 1.12 0.68 0.00 0.00 175.17 178.14 3hsn h HIS 651 N -0.17 0.00 0.28 2.11 2.07 -1.98 -1.21 115.15 116.25 3hsn h HIS 651 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3hsn h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3hsn h HIS 651 CO 0.66 0.12 -0.14 0.45 -3.07 0.00 0.00 177.93 175.95 3hsn h HIS 652 N 0.00 -0.35 -0.52 6.12 3.86 -1.95 -2.75 115.15 119.55 3hsn h HIS 652 Ca -0.00 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3hsn h HIS 652 Cb 0.48 0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 3hsn h HIS 652 CO 0.00 -0.00 0.20 1.03 0.86 0.00 0.00 177.93 180.01 3hsn h SER 653 N -0.80 0.21 -0.51 2.45 0.87 -1.93 -1.68 113.55 112.16 3hsn h SER 653 Ca -0.04 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3hsn h SER 653 Cb 0.51 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3hsn h SER 653 CO 0.06 0.14 0.06 0.00 -0.53 0.00 0.00 176.83 176.57 3hsn h ALA 654 N 1.34 0.69 -0.02 6.23 0.00 -1.31 -1.28 119.26 124.91 3hsn h ALA 654 Ca 0.25 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3hsn h ALA 654 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hsn h ALA 654 CO -0.25 0.44 -0.89 1.79 0.00 0.00 0.00 179.25 180.35 3hsn h THR 655 N 0.74 1.41 -0.22 0.00 1.35 -1.41 -1.45 112.91 113.34 3hsn h THR 655 Ca 0.15 -2.41 -0.00 0.00 -0.55 0.00 0.00 66.41 63.60 3hsn h THR 655 Cb 0.43 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 3hsn h THR 655 CO 0.01 0.72 0.14 -0.08 -0.25 0.00 0.00 175.52 176.06 3hsn h GLU 656 N 0.22 0.29 -0.72 4.72 4.81 -1.22 -2.12 114.58 120.56 3hsn h GLU 656 Ca -0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3hsn h GLU 656 Cb 1.51 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 3hsn h GLU 656 CO 0.15 0.22 0.32 0.77 -0.73 0.00 0.00 179.01 179.74 3hsn h SER 657 N 0.28 0.96 -0.65 1.04 0.02 -1.19 -2.68 113.55 111.32 3hsn h SER 657 Ca 0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3hsn h SER 657 Cb 0.00 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3hsn h SER 657 CO -0.02 0.83 0.34 0.15 -1.14 0.00 0.00 176.83 176.99 3hsn h PHE 658 N 1.03 0.93 -0.39 3.45 3.57 -1.02 -0.30 116.94 124.22 3hsn h PHE 658 Ca 0.25 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3hsn h PHE 658 Cb 0.15 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3hsn h PHE 658 CO 0.01 0.67 -0.16 0.82 -2.23 0.00 0.00 178.31 177.42 3hsn h ILE 659 N 0.95 1.28 -0.52 1.41 1.08 -1.07 0.18 117.51 120.81 3hsn h ILE 659 Ca 0.24 -1.29 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3hsn h ILE 659 Cb 0.07 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 3hsn h ILE 659 CO -0.03 0.43 0.32 0.11 -0.69 0.00 0.00 178.15 178.29 3hsn h LYS 660 N 0.61 0.63 -0.32 2.37 1.57 -1.27 -0.66 116.57 119.50 3hsn h LYS 660 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hsn h LYS 660 Cb 0.71 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3hsn h LYS 660 CO 0.05 0.42 0.20 1.25 -0.57 0.00 0.00 179.45 180.80 3hsn h HIS 661 N 0.65 0.41 -0.42 -1.35 2.76 -0.83 -1.76 115.15 114.61 3hsn h HIS 661 Ca 0.20 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3hsn h HIS 661 Cb -0.02 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3hsn h HIS 661 CO -0.05 0.27 0.19 1.98 -1.30 0.00 0.00 177.93 179.02 3hsn h MET 662 N 0.42 0.62 -0.54 5.26 1.85 -0.39 -0.75 114.93 121.40 3hsn h MET 662 Ca 0.12 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3hsn h MET 662 Cb -0.03 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 3hsn h MET 662 CO -0.02 0.55 0.31 0.93 -0.40 0.00 0.00 176.91 178.28 3hsn h GLU 663 N 0.54 0.75 -0.93 0.39 5.08 -1.02 -1.39 114.58 118.00 3hsn h GLU 663 Ca 0.14 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3hsn h GLU 663 Cb 0.15 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3hsn h GLU 663 CO -0.02 0.56 0.58 -0.97 -1.00 0.00 0.00 179.01 178.17 3hsn h ASN 664 N 0.73 0.90 -0.16 1.42 -0.00 -1.07 -2.44 115.58 114.96 3hsn h ASN 664 Ca 0.19 0.02 -0.13 0.00 -0.00 0.00 0.00 56.30 56.38 3hsn h ASN 664 Cb 0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 3hsn h ASN 664 CO -0.03 0.56 -0.36 -0.33 -0.00 0.00 0.00 177.43 177.26 3hsn h GLU 665 N 1.03 0.68 -0.79 6.67 4.39 -0.67 -1.16 114.58 124.73 3hsn h GLU 665 Ca 0.42 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3hsn h GLU 665 Cb 0.24 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3hsn h GLU 665 CO -0.20 0.94 0.47 1.88 -1.16 0.00 0.00 179.01 180.94 3hsn h TYR 666 N 0.57 1.04 -0.05 4.33 -1.99 -1.05 0.13 116.97 119.94 3hsn h TYR 666 Ca 0.06 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 3hsn h TYR 666 Cb 0.88 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.28 3hsn h TYR 666 CO 0.04 0.70 -0.33 0.00 -0.00 0.00 0.00 178.16 178.57 3hsn h ARG 667 N 1.08 0.32 0.00 4.88 3.08 -1.21 -1.24 114.38 121.29 3hsn h ARG 667 Ca 0.28 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3hsn h ARG 667 Cb -0.04 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3hsn h ARG 667 CO -0.05 0.93 -1.49 0.00 -1.07 0.00 0.00 179.97 178.29 3hsn n ARG 669 N -2.69 0.67 -0.44 0.00 0.63 0.35 -5.03 116.66 110.16 3hsn n ARG 669 Ca -0.08 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3hsn n ARG 669 Cb 0.72 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.54 3hsn n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hsn n GLY 670 N 2.09 0.77 0.00 5.14 0.00 -0.47 -4.61 105.19 108.11 3hsn n GLY 670 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hsn n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsn n GLY 671 N -2.36 1.41 3.05 -0.02 0.00 -1.11 -0.68 105.19 105.48 3hsn n GLY 671 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 3hsn n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsn s PRO 673 N 2.25 4.20 -0.11 0.00 0.04 -1.26 -4.67 135.00 135.44 3hsn s PRO 673 Ca 0.13 2.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 3hsn s PRO 673 Cb -0.09 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.39 3hsn s PRO 673 CO -0.18 -0.54 0.30 0.00 0.04 0.00 0.00 177.00 176.62 3hsn s ALA 674 N 0.28 -0.75 -0.49 8.56 0.00 -0.17 -4.29 121.76 124.90 3hsn s ALA 674 Ca 0.64 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3hsn s ALA 674 Cb -0.45 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.29 3hsn s ALA 674 CO 0.42 -0.14 0.39 0.34 0.00 0.00 0.00 175.76 176.77 3hsn s ASP 675 N 0.16 5.91 0.26 0.00 -1.08 -0.09 -3.55 116.67 118.29 3hsn s ASP 675 Ca -0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 52.55 50.25 3hsn s ASP 675 Cb -0.02 -2.10 0.38 0.00 -1.46 0.00 0.00 42.92 39.72 3hsn s ASP 675 CO 0.00 -0.72 1.89 -0.25 0.52 0.00 0.00 175.17 176.61 3hsn h TRP 676 N 8.63 1.20 -0.75 -5.34 7.01 -1.94 0.75 115.95 125.52 3hsn h TRP 676 Ca -0.25 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.87 3hsn h TRP 676 Cb 1.09 -0.40 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 3hsn h TRP 676 CO 0.67 0.64 0.49 0.28 -2.79 0.00 0.00 178.44 177.73 3hsn h VAL 677 N 1.20 0.94 0.08 2.65 2.07 -1.93 -1.96 116.25 119.30 3hsn h VAL 677 Ca 0.42 -0.23 -0.34 0.00 0.82 0.00 0.00 66.70 67.38 3hsn h VAL 677 Cb 0.12 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3hsn h VAL 677 CO -0.16 0.12 -1.88 0.79 0.02 0.00 0.00 177.57 176.46 3hsn n TRP 678 N -4.50 1.17 -0.17 1.57 7.02 -0.67 -4.43 117.44 117.43 3hsn n TRP 678 Ca 0.12 0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.81 3hsn n TRP 678 Cb 0.33 -1.17 0.00 0.00 -2.42 0.00 0.00 31.31 28.05 3hsn n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3hsn h ILE 679 N 0.04 1.27 -2.91 -0.99 1.08 -0.58 -3.43 117.51 111.99 3hsn h ILE 679 Ca -0.37 -1.15 -0.54 0.00 -0.39 0.00 0.00 64.86 62.41 3hsn h ILE 679 Cb 2.03 0.99 0.01 0.00 -3.07 0.00 0.00 36.82 36.78 3hsn h ILE 679 CO 0.09 0.40 0.81 -0.69 -0.69 0.00 0.00 178.15 178.07 3hsn s VAL 680 N -4.94 3.46 0.81 1.67 1.01 -0.76 -4.94 120.40 116.71 3hsn s VAL 680 Ca -0.12 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.69 3hsn s VAL 680 Cb 0.12 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.97 3hsn s VAL 680 CO 0.84 0.03 1.16 -2.84 0.00 0.00 0.00 175.10 174.28 3hsn s PRO 681 N 1.93 1.73 0.00 2.72 0.02 -1.26 -4.92 135.00 135.23 3hsn s PRO 681 Ca 0.65 1.56 0.21 0.00 0.02 0.00 0.00 61.00 63.45 3hsn s PRO 681 Cb -0.35 -1.81 1.10 0.00 0.02 0.00 0.00 34.50 33.47 3hsn s PRO 681 CO 0.29 -2.10 1.73 -0.35 -0.33 0.00 0.00 177.00 176.24 3hsn n PRO 682 N -3.45 1.23 -4.16 5.54 -0.04 -1.26 -4.35 135.00 128.51 3hsn n PRO 682 Ca 0.12 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 3hsn n PRO 682 Cb 0.51 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 3hsn n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hsn s MET 683 N -1.95 0.80 -1.40 0.54 0.23 -1.26 -4.93 119.30 111.33 3hsn s MET 683 Ca 0.32 -1.22 -0.04 0.00 -1.03 0.00 0.00 55.69 53.72 3hsn s MET 683 Cb 0.15 -0.29 0.02 0.00 -1.53 0.00 0.00 34.83 33.18 3hsn s MET 683 CO 0.25 0.01 0.33 0.43 -2.03 0.00 0.00 175.02 174.01 3hsn n SER 684 N 0.28 -4.91 -0.20 -1.18 7.64 -1.26 -4.86 113.62 109.13 3hsn n SER 684 Ca -0.14 -0.15 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 3hsn n SER 684 Cb 0.59 -4.05 -0.02 0.00 -1.01 0.00 0.00 64.21 59.72 3hsn n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hsn h GLY 685 N -0.71 -0.35 1.65 0.23 0.00 -1.92 -2.29 103.07 99.68 3hsn h GLY 685 Ca -0.44 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hsn h GLY 685 CO 0.51 -0.18 -0.03 -1.14 0.00 0.00 0.00 176.54 175.70 3hsn n SER 686 N -5.42 0.06 -0.46 0.19 3.41 -1.26 -2.04 113.62 108.11 3hsn n SER 686 Ca 0.02 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.77 3hsn n SER 686 Cb 0.35 -0.33 0.33 0.00 -0.26 0.00 0.00 64.21 64.31 3hsn n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hsn n ILE 687 N -1.34 0.22 -4.10 -1.33 -5.35 -0.86 -4.79 119.36 101.81 3hsn n ILE 687 Ca 0.11 -0.30 -0.32 0.00 -0.27 0.00 0.00 62.75 61.97 3hsn n ILE 687 Cb 0.28 0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 38.33 3hsn n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hsn s THR 688 N -1.78 4.58 0.28 7.28 -4.23 -0.86 -5.03 115.64 115.89 3hsn s THR 688 Ca 0.28 -0.58 0.21 0.00 -1.18 0.00 0.00 61.69 60.42 3hsn s THR 688 Cb 0.15 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 71.04 3hsn s THR 688 CO 0.22 0.26 1.87 1.55 -0.54 0.00 0.00 174.62 177.98 3hsn h PRO 689 N 3.80 0.00 -0.33 3.99 0.13 -1.86 -3.03 132.00 134.70 3hsn h PRO 689 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3hsn h PRO 689 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3hsn h PRO 689 CO 0.63 0.27 0.15 -0.39 -0.23 0.00 0.00 178.00 178.44 3hsn h VAL 690 N 0.00 1.12 -0.93 1.56 -1.51 -1.88 -2.32 116.25 112.28 3hsn h VAL 690 Ca -0.00 -0.33 0.21 0.00 -1.23 0.00 0.00 66.70 65.34 3hsn h VAL 690 Cb 0.65 0.70 -0.07 0.00 -2.13 0.00 0.00 31.29 30.44 3hsn h VAL 690 CO 0.04 0.13 0.61 0.15 -1.23 0.00 0.00 177.57 177.26 3hsn h PHE 691 N 0.45 0.62 -0.01 5.19 3.04 -1.71 -2.04 116.94 122.47 3hsn h PHE 691 Ca 0.12 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3hsn h PHE 691 Cb 0.05 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.38 3hsn h PHE 691 CO 0.00 0.15 -0.23 0.72 -2.02 0.00 0.00 178.31 176.94 3hsn n HIS 692 N -4.55 0.00 -3.49 0.41 -0.00 -0.88 -4.85 115.22 101.87 3hsn n HIS 692 Ca 0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.54 3hsn n HIS 692 Cb 0.69 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.99 30.52 3hsn n HIS 692 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3hsn s GLN 693 N -2.35 4.00 0.36 -0.41 2.00 -0.77 -1.44 119.66 121.05 3hsn s GLN 693 Ca 0.26 -0.12 -0.27 0.00 -2.00 0.00 0.00 55.36 53.23 3hsn s GLN 693 Cb 0.19 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 30.27 3hsn s GLN 693 CO 0.47 -0.20 1.26 -1.21 -0.50 0.00 0.00 175.29 175.12 3hsn s GLU 694 N 1.84 4.21 0.18 1.67 2.02 -0.71 -4.99 118.70 122.92 3hsn s GLU 694 Ca 0.11 2.10 0.06 0.00 0.02 0.00 0.00 54.97 57.26 3hsn s GLU 694 Cb -0.16 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 3hsn s GLU 694 CO 0.10 -0.27 -0.13 -1.64 0.02 0.00 0.00 175.26 173.34 3hsn s MET 695 N -1.99 1.21 -0.10 1.61 -1.94 -1.26 -4.62 119.30 112.21 3hsn s MET 695 Ca 0.52 -1.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.02 3hsn s MET 695 Cb -0.37 -0.91 0.00 0.00 2.01 0.00 0.00 34.83 35.56 3hsn s MET 695 CO 0.48 0.14 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.89 3hsn s LEU 696 N -3.24 2.06 -0.18 -0.03 1.43 -1.26 -4.98 118.68 112.49 3hsn s LEU 696 Ca 0.20 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3hsn s LEU 696 Cb 0.01 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3hsn s LEU 696 CO 0.04 0.15 -0.04 0.21 0.23 0.00 0.00 176.35 176.94 3hsn s ASN 697 N 0.39 4.65 0.19 2.29 2.47 -1.23 -0.99 114.94 122.70 3hsn s ASN 697 Ca -0.18 -0.21 -0.16 0.00 0.42 0.00 0.00 52.86 52.73 3hsn s ASN 697 Cb -0.18 -1.77 0.02 0.00 -1.45 0.00 0.00 41.25 37.87 3hsn s ASN 697 CO 0.08 0.11 0.48 -0.72 -3.72 0.00 0.00 177.10 173.33 3hsn s TYR 698 N 0.74 -0.03 -0.33 0.43 -0.85 -1.26 -4.96 117.35 111.09 3hsn s TYR 698 Ca -0.02 -0.32 -0.12 0.00 -0.52 0.00 0.00 57.07 56.10 3hsn s TYR 698 Cb -0.14 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 3hsn s TYR 698 CO 0.02 -0.88 0.21 1.03 -1.52 0.00 0.00 175.55 174.41 3hsn s ARG 699 N -3.89 3.39 0.08 -3.49 0.52 -1.26 -4.85 118.95 109.45 3hsn s ARG 699 Ca 0.10 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3hsn s ARG 699 Cb -0.00 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 3hsn s ARG 699 CO -0.02 -0.46 -0.01 -0.51 0.02 0.00 0.00 175.30 174.32 3hsn s LEU 700 N 1.67 3.44 0.15 2.53 1.43 -1.26 -2.95 118.68 123.69 3hsn s LEU 700 Ca 0.05 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3hsn s LEU 700 Cb -0.17 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3hsn s LEU 700 CO 0.09 0.19 0.01 0.42 0.23 0.00 0.00 176.35 177.29 3hsn s THR 701 N -1.28 3.87 0.88 5.49 -4.23 -1.26 -4.34 115.64 114.77 3hsn s THR 701 Ca 0.25 -1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3hsn s THR 701 Cb -0.12 -2.92 0.10 0.00 1.34 0.00 0.00 72.50 70.90 3hsn s THR 701 CO 0.17 -0.05 0.99 -2.65 -0.54 0.00 0.00 174.62 172.54 3hsn n PRO 702 N 0.03 -0.20 -3.72 3.99 -0.02 -1.26 -5.00 135.00 128.81 3hsn n PRO 702 Ca -0.10 0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.25 3hsn n PRO 702 Cb 0.54 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3hsn n PRO 702 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hsn s SER 703 N -2.31 -0.25 -0.12 2.55 0.15 -0.31 -3.89 113.70 109.51 3hsn s SER 703 Ca 0.67 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 57.30 3hsn s SER 703 Cb -0.25 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 3hsn s SER 703 CO 0.58 -0.49 0.36 -0.36 1.20 0.00 0.00 173.24 174.52 3hsn s PHE 704 N -1.48 3.52 0.11 3.44 0.08 -1.26 -0.51 117.98 121.87 3hsn s PHE 704 Ca -0.12 0.73 0.06 0.00 0.12 0.00 0.00 56.93 57.72 3hsn s PHE 704 Cb -0.04 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3hsn s PHE 704 CO 0.04 0.29 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.10 3hsn s GLU 705 N 0.25 0.97 0.63 0.44 0.41 1.00 -4.94 118.70 117.45 3hsn s GLU 705 Ca 0.20 -1.16 -0.16 0.00 -0.41 0.00 0.00 54.97 53.44 3hsn s GLU 705 Cb -0.14 -0.89 -0.02 0.00 -1.78 0.00 0.00 34.13 31.30 3hsn s GLU 705 CO 0.07 0.18 1.11 0.71 -0.49 0.00 0.00 175.26 176.84 3hsn s TYR 706 N -1.88 2.67 0.04 1.61 2.02 -1.26 -0.78 117.35 119.78 3hsn s TYR 706 Ca 0.06 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.26 3hsn s TYR 706 Cb -0.06 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.30 3hsn s TYR 706 CO 0.03 -1.60 0.06 1.14 -1.57 0.00 0.00 175.55 173.60 3hsn s GLN 707 N -3.93 0.59 0.52 -0.62 -2.07 -1.26 -4.74 119.66 108.15 3hsn s GLN 707 Ca 0.68 -0.90 -0.21 0.00 -1.82 0.00 0.00 55.36 53.11 3hsn s GLN 707 Cb -0.21 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 31.88 3hsn s GLN 707 CO 0.38 -0.14 1.20 -1.25 -1.32 0.00 0.00 175.29 174.16 3hsn s PRO 708 N -3.00 3.42 0.34 9.60 0.04 -1.26 -4.95 135.00 139.19 3hsn s PRO 708 Ca -0.02 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 3hsn s PRO 708 Cb 0.01 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3hsn s PRO 708 CO -0.06 -0.84 1.41 -0.25 0.04 0.00 0.00 177.00 177.29 3hsn n ASP 709 N -0.96 3.27 0.21 6.66 8.00 -1.26 -4.88 116.55 127.59 3hsn n ASP 709 Ca 0.10 1.20 0.08 0.00 0.71 0.00 0.00 54.79 56.88 3hsn n ASP 709 Cb 0.48 -1.54 0.44 0.00 -0.02 0.00 0.00 41.12 40.48 3hsn n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3hsn h PRO 710 N 3.12 0.00 0.00 -0.24 0.13 -1.92 -2.23 132.00 130.85 3hsn h PRO 710 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3hsn h PRO 710 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hsn h PRO 710 CO 0.66 0.29 -0.13 0.11 -0.23 0.00 0.00 178.00 178.70 3hsn h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.46 115.95 116.11 3hsn h TRP 711 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.94 3hsn h TRP 711 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.97 3hsn h TRP 711 CO 0.00 0.13 -0.16 -0.91 0.09 0.00 0.00 178.44 177.60 3hsn h ASN 712 N 0.00 0.00 0.00 0.11 -0.26 -1.77 -3.37 115.58 110.30 3hsn h ASN 712 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hsn h ASN 712 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3hsn h ASN 712 CO 0.02 0.16 -1.01 0.35 -1.06 0.00 0.00 177.43 175.88 3hsn n THR 713 N -3.19 0.00 -1.89 2.81 -2.24 -0.63 -5.05 114.28 104.08 3hsn n THR 713 Ca 0.02 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3hsn n THR 713 Cb 0.50 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 3hsn n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hsn s HIS 714 N -2.14 2.96 -0.59 4.78 5.04 0.15 -4.96 115.29 120.53 3hsn s HIS 714 Ca -0.01 0.73 -0.22 0.00 -1.54 0.00 0.00 55.06 54.02 3hsn s HIS 714 Cb 0.03 -3.96 0.06 0.00 0.04 0.00 0.00 32.58 28.76 3hsn s HIS 714 CO 0.19 -3.37 0.86 0.08 -2.34 0.00 0.00 174.74 170.15 3hsn s VAL 715 N 0.57 4.51 0.10 0.89 1.01 -1.26 -5.02 120.40 121.21 3hsn s VAL 715 Ca 0.66 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 3hsn s VAL 715 Cb -0.45 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.30 3hsn s VAL 715 CO 0.38 -1.20 1.54 0.26 0.00 0.00 0.00 175.10 176.09 3hsn s TRP 716 N 3.57 2.85 -0.21 5.22 0.52 -1.26 -4.90 118.94 124.73 3hsn s TRP 716 Ca 0.21 0.61 0.22 0.00 0.02 0.00 0.00 56.10 57.17 3hsn s TRP 716 Cb -0.17 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.25 3hsn s TRP 716 CO 0.12 -3.23 0.98 1.63 0.02 0.00 0.00 176.95 176.47 3hsn n LYS 717 N 4.71 0.61 -0.00 4.98 5.02 -1.26 -5.11 118.16 127.10 3hsn n LYS 717 Ca 0.14 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3hsn n LYS 717 Cb 0.41 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3hsn n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29