#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsn s PHE 300 N 0.00 3.29 0.01 -1.55 0.08 -1.26 -4.91 117.98 113.63 3hsn s PHE 300 Ca 0.00 1.13 0.02 0.00 0.12 0.00 0.00 56.93 58.20 3hsn s PHE 300 Cb 0.00 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 3hsn s PHE 300 CO 0.00 -0.46 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.14 3hsn s LEU 301 N 2.96 3.47 0.01 -0.37 1.43 -0.95 -4.92 118.68 120.31 3hsn s LEU 301 Ca 0.36 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3hsn s LEU 301 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3hsn s LEU 301 CO 0.08 0.27 -0.05 -0.54 0.23 0.00 0.00 176.35 176.35 3hsn s LYS 302 N -1.61 2.59 -0.04 1.70 1.02 -1.26 0.48 119.74 122.63 3hsn s LYS 302 Ca 0.20 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.53 3hsn s LYS 302 Cb -0.11 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3hsn s LYS 302 CO 0.11 0.60 -0.18 0.14 -0.92 0.00 0.00 175.35 175.10 3hsn s VAL 303 N -1.04 1.51 -0.07 3.17 -7.23 -0.54 -4.97 120.40 111.23 3hsn s VAL 303 Ca 0.18 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3hsn s VAL 303 Cb -0.11 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 3hsn s VAL 303 CO 0.09 0.43 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.50 3hsn s LYS 304 N -0.03 2.83 -0.24 4.82 2.20 -1.26 -1.01 119.74 127.04 3hsn s LYS 304 Ca -0.03 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 54.86 3hsn s LYS 304 Cb -0.11 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3hsn s LYS 304 CO 0.02 0.65 0.62 1.21 -0.36 0.00 0.00 175.35 177.50 3hsn s ASN 305 N -0.77 6.60 0.02 1.43 3.84 -0.15 -1.83 114.94 124.08 3hsn s ASN 305 Ca 0.12 0.73 0.28 0.00 0.21 0.00 0.00 52.86 54.20 3hsn s ASN 305 Cb -0.11 -2.34 1.06 0.00 -0.55 0.00 0.00 41.25 39.31 3hsn s ASN 305 CO 0.02 -0.34 1.82 0.79 -2.79 0.00 0.00 177.10 176.59 3hsn n TRP 306 N 5.55 0.07 -0.05 0.43 7.02 -0.19 -0.26 117.44 130.01 3hsn n TRP 306 Ca -0.01 0.02 -0.06 0.00 -1.02 0.00 0.00 57.50 56.44 3hsn n TRP 306 Cb 0.49 -0.49 -0.14 0.00 -2.42 0.00 0.00 31.31 28.75 3hsn n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3hsn n GLU 307 N -1.56 0.66 0.00 -0.99 4.07 -1.26 -4.45 120.64 117.10 3hsn n GLU 307 Ca 0.07 0.08 0.03 0.00 -0.06 0.00 0.00 57.16 57.28 3hsn n GLU 307 Cb 0.35 -1.64 -0.01 0.00 -0.06 0.00 0.00 31.44 30.08 3hsn n GLU 307 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3hsn n THR 308 N -2.79 0.00 -0.46 6.31 -2.24 -1.22 -5.01 114.28 108.88 3hsn n THR 308 Ca -0.22 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3hsn n THR 308 Cb 1.01 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 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 -0.55 0.00 -4.71 3.42 9.92 0.64 -4.96 116.55 120.30 3hsn n ASP 309 Ca 0.02 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.85 3hsn n ASP 309 Cb 0.12 -2.38 -0.03 0.00 -0.64 0.00 0.00 41.12 38.19 3hsn n ASP 309 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3hsn n VAL 310 N -1.94 0.44 -5.18 2.53 0.31 -1.25 -4.74 118.33 108.50 3hsn n VAL 310 Ca 0.00 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.90 3hsn n VAL 310 Cb 0.00 -1.84 -0.16 0.00 -0.91 0.00 0.00 33.84 30.93 3hsn n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hsn s VAL 311 N 0.61 2.21 0.15 2.52 1.01 -1.26 -0.97 120.40 124.66 3hsn s VAL 311 Ca 0.71 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3hsn s VAL 311 Cb -0.55 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3hsn s VAL 311 CO 0.40 0.56 -0.14 -0.76 0.00 0.00 0.00 175.10 175.17 3hsn s LEU 312 N 0.08 2.83 -0.18 3.92 1.43 -0.18 -4.97 118.68 121.61 3hsn s LEU 312 Ca -0.10 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3hsn s LEU 312 Cb -0.16 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3hsn s LEU 312 CO 0.06 0.14 -0.01 -0.89 0.23 0.00 0.00 176.35 175.88 3hsn s THR 313 N -1.45 4.01 -0.30 5.49 2.01 -1.26 -1.47 115.64 122.67 3hsn s THR 313 Ca 0.22 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 3hsn s THR 313 Cb -0.10 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3hsn s THR 313 CO 0.13 0.46 0.19 -0.62 -0.69 0.00 0.00 174.62 174.08 3hsn s ASP 314 N 0.66 5.87 -0.00 3.53 -1.08 0.18 -4.64 116.67 121.18 3hsn s ASP 314 Ca -0.01 -0.22 0.10 0.00 -0.52 0.00 0.00 52.55 51.91 3hsn s ASP 314 Cb -0.14 -2.09 -0.13 0.00 -1.46 0.00 0.00 42.92 39.11 3hsn s ASP 314 CO 0.02 -0.12 0.39 0.35 0.52 0.00 0.00 175.17 176.34 3hsn n THR 315 N 5.05 0.00 0.19 1.71 -2.24 -0.18 -2.25 114.28 116.56 3hsn n THR 315 Ca -0.14 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.44 3hsn n THR 315 Cb 0.51 0.83 0.33 0.00 -2.10 0.00 0.00 70.33 69.90 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 -2.66 3.22 5.85 -1.70 -2.82 115.31 117.21 3hsn h LEU 316 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hsn h LEU 316 Cb 0.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hsn h LEU 316 CO 0.00 0.39 -0.00 1.12 -0.34 0.00 0.00 178.44 179.61 3hsn h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -1.33 115.15 115.30 3hsn h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hsn h HIS 317 Cb 0.89 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.87 3hsn h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3hsn n LEU 318 N -3.56 0.00 -0.81 6.12 4.77 -1.06 -1.89 117.00 120.57 3hsn n LEU 318 Ca -0.03 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3hsn n LEU 318 Cb 0.08 -0.27 0.17 0.00 -2.33 0.00 0.00 43.42 41.06 3hsn n LEU 318 CO 0.25 -0.14 0.64 0.29 -1.33 0.00 0.00 177.39 177.09 3hsn n LYS 319 N -1.27 2.06 -2.54 3.23 5.02 -0.50 -4.96 118.16 119.21 3hsn n LYS 319 Ca 0.07 -1.63 -0.42 0.00 -2.02 0.00 0.00 58.31 54.31 3hsn n LYS 319 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3hsn n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hsn s SER 320 N -2.06 7.23 -0.22 4.39 1.04 -0.79 -4.91 113.70 118.38 3hsn s SER 320 Ca 0.29 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.76 3hsn s SER 320 Cb 0.20 -2.59 -0.21 0.00 0.10 0.00 0.00 66.02 63.53 3hsn s SER 320 CO 0.34 -0.32 -0.06 0.35 0.98 0.00 0.00 173.24 174.53 3hsn n THR 321 N 3.35 1.38 -1.90 2.02 -2.24 -1.25 -5.02 114.28 110.62 3hsn n THR 321 Ca 0.06 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 3hsn n THR 321 Cb 0.48 -0.89 0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 -5.89 3.02 0.28 3.22 1.43 -1.26 -5.07 118.68 114.41 3hsn s LEU 322 Ca -0.20 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 3hsn s LEU 322 Cb 0.07 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3hsn s LEU 322 CO 0.70 -1.18 0.17 -1.61 0.23 0.00 0.00 176.35 174.66 3hsn s GLU 323 N -5.29 2.72 -0.09 1.70 2.02 -1.26 -4.55 118.70 113.95 3hsn s GLU 323 Ca 0.57 -1.21 0.19 0.00 0.02 0.00 0.00 54.97 54.55 3hsn s GLU 323 Cb -0.11 -2.44 -0.29 0.00 0.10 0.00 0.00 34.13 31.39 3hsn s GLU 323 CO 0.52 0.31 0.30 0.25 0.02 0.00 0.00 175.26 176.66 3hsn n THR 324 N -1.16 0.54 0.00 3.63 -2.24 -1.26 -4.90 114.28 108.88 3hsn n THR 324 Ca -0.06 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3hsn n THR 324 Cb 0.59 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.51 3.39 3.86 3.38 0.00 -1.26 -4.87 105.19 111.21 3hsn n GLY 325 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3hsn n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsn s THR 327 N -3.21 0.49 0.61 0.00 -4.23 0.43 -4.99 115.64 104.73 3hsn s THR 327 Ca 0.56 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.44 3hsn s THR 327 Cb -0.11 -2.45 0.40 0.00 1.34 0.00 0.00 72.50 71.68 3hsn s THR 327 CO 0.54 0.00 2.30 -0.33 -0.54 0.00 0.00 174.62 176.59 3hsn h GLU 328 N 1.98 0.00 0.00 3.99 3.07 -2.05 -2.95 114.58 118.62 3hsn h GLU 328 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3hsn h GLU 328 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3hsn h GLU 328 CO 0.54 0.01 -1.72 0.72 -1.40 0.00 0.00 179.01 177.16 3hsn n HIS 329 N -3.46 0.00 -3.74 4.33 8.25 -1.26 -4.98 115.22 114.35 3hsn n HIS 329 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 3hsn n HIS 329 Cb 0.09 -0.37 -0.14 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.21 -0.04 -0.22 1.59 2.07 -1.12 -5.13 121.20 115.14 3hsn s ILE 330 Ca -0.05 0.16 -0.09 0.00 -1.41 0.00 0.00 60.65 59.26 3hsn s ILE 330 Cb 0.12 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 3hsn s ILE 330 CO 0.76 0.07 0.12 0.00 -1.91 0.00 0.00 174.94 173.98 3hsn n MET 332 N 4.01 1.92 0.33 0.00 0.00 -1.26 -4.77 117.12 117.34 3hsn n MET 332 Ca -0.16 -3.16 0.20 0.00 0.00 0.00 0.00 57.70 54.58 3hsn n MET 332 Cb 0.52 -1.82 1.05 0.00 0.00 0.00 0.00 33.22 32.97 3hsn n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hsn h GLY 333 N 1.05 0.00 -1.77 3.03 0.00 -1.93 -1.13 103.07 102.32 3hsn h GLY 333 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hsn h GLY 333 CO 0.39 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.79 3hsn n SER 334 N -3.09 2.84 -4.71 0.19 3.41 -1.26 -4.84 113.62 106.16 3hsn n SER 334 Ca -0.02 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 3hsn n SER 334 Cb 0.19 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.76 4.60 0.09 -1.33 -1.09 -0.43 -4.97 121.20 116.32 3hsn s ILE 335 Ca 0.26 1.87 -0.19 0.00 -2.23 0.00 0.00 60.65 60.37 3hsn s ILE 335 Cb 0.18 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 3hsn s ILE 335 CO 0.27 0.15 1.59 0.24 -1.23 0.00 0.00 174.94 175.96 3hsn h MET 336 N 6.76 0.40 -2.91 2.79 2.86 -1.92 -3.38 114.93 119.53 3hsn h MET 336 Ca -0.41 -0.09 -0.61 0.00 -2.06 0.00 0.00 59.70 56.53 3hsn h MET 336 Cb 1.22 -0.05 -0.40 0.00 0.06 0.00 0.00 31.60 32.42 3hsn h MET 336 CO 0.77 0.49 -0.75 -0.51 1.06 0.00 0.00 176.91 177.97 3hsn s LEU 337 N -9.69 2.78 0.45 1.22 1.43 -1.26 -5.16 118.68 108.45 3hsn s LEU 337 Ca -0.14 -2.85 0.17 0.00 -1.03 0.00 0.00 54.13 50.28 3hsn s LEU 337 Cb 0.08 -1.02 1.06 0.00 0.03 0.00 0.00 46.19 46.34 3hsn s LEU 337 CO 0.73 -0.23 1.99 -0.65 0.23 0.00 0.00 176.35 178.42 3hsn h PRO 338 N 6.40 0.00 -7.09 1.29 0.11 -1.90 -3.54 132.00 127.28 3hsn h PRO 338 Ca 0.05 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.67 3hsn h PRO 338 Cb 0.90 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.05 3hsn h PRO 338 CO 0.50 0.19 0.25 0.14 -0.21 0.00 0.00 178.00 178.86 3hsn s VAL 348 N -4.50 4.78 0.30 3.15 -7.23 -1.26 -4.95 120.40 110.70 3hsn s VAL 348 Ca -0.04 0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 3hsn s VAL 348 Cb 0.15 -3.83 -0.10 0.00 0.56 0.00 0.00 36.38 33.16 3hsn s VAL 348 CO 0.68 -0.88 1.27 -0.13 -0.31 0.00 0.00 175.10 175.73 3hsn s ARG 349 N -4.67 4.41 0.69 4.82 0.52 -1.26 -5.03 118.95 118.44 3hsn s ARG 349 Ca 0.52 2.11 -0.10 0.00 -0.52 0.00 0.00 55.73 57.74 3hsn s ARG 349 Cb -0.10 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.27 3hsn s ARG 349 CO 0.44 -0.13 1.07 0.95 0.02 0.00 0.00 175.30 177.65 3hsn s THR 350 N -0.91 3.36 0.16 0.02 -4.23 -1.26 -4.87 115.64 107.91 3hsn s THR 350 Ca 0.50 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 3hsn s THR 350 Cb -0.38 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.12 3hsn s THR 350 CO 0.48 -0.54 1.68 0.11 -0.54 0.00 0.00 174.62 175.81 3hsn h LYS 351 N -0.61 0.02 -0.51 3.99 1.57 -1.94 -1.09 116.57 118.01 3hsn h LYS 351 Ca -0.45 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3hsn h LYS 351 Cb 1.26 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 3hsn h LYS 351 CO 0.63 0.01 0.27 -0.44 -0.57 0.00 0.00 179.45 179.35 3hsn h ASP 352 N 0.02 0.62 -0.32 0.86 5.19 -1.99 -0.64 116.42 120.17 3hsn h ASP 352 Ca 0.19 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 3hsn h ASP 352 Cb 0.28 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3hsn h ASP 352 CO -0.38 0.51 -0.09 1.56 -3.12 0.00 0.00 179.24 177.72 3hsn h GLN 353 N 0.71 0.73 0.08 3.56 4.20 -1.71 -3.37 115.11 119.31 3hsn h GLN 353 Ca 0.18 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 3hsn h GLN 353 Cb 0.04 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hsn h GLN 353 CO -0.03 0.81 -0.71 1.25 -0.67 0.00 0.00 178.83 179.48 3hsn h LEU 354 N 0.67 0.48 -0.53 1.46 5.85 0.10 -3.32 115.31 120.02 3hsn h LEU 354 Ca 0.12 -0.88 0.11 0.00 0.84 0.00 0.00 57.88 58.07 3hsn h LEU 354 Cb 0.55 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 3hsn h LEU 354 CO 0.03 1.31 -0.16 -0.26 -0.34 0.00 0.00 178.44 179.02 3hsn h PHE 355 N -0.28 -0.37 -0.64 1.25 0.04 -1.58 -0.14 116.94 115.21 3hsn h PHE 355 Ca -0.11 0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3hsn h PHE 355 Cb 1.49 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.86 3hsn h PHE 355 CO 0.18 -0.26 0.17 -1.35 -0.60 0.00 0.00 178.31 176.45 3hsn h PRO 356 N -0.04 1.01 -0.54 1.51 0.11 -1.76 0.67 132.00 132.96 3hsn h PRO 356 Ca 0.25 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3hsn h PRO 356 Cb 0.42 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3hsn h PRO 356 CO -0.56 0.88 0.05 -0.07 -0.21 0.00 0.00 178.00 178.09 3hsn h LEU 357 N 0.96 0.89 -0.37 2.35 3.38 -1.45 -0.56 115.31 120.52 3hsn h LEU 357 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hsn h LEU 357 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hsn h LEU 357 CO -0.00 0.95 0.06 0.00 0.09 0.00 0.00 178.44 179.54 3hsn h ALA 358 N 0.97 0.49 -0.14 1.53 0.00 -0.74 -1.91 119.26 119.45 3hsn h ALA 358 Ca 0.16 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hsn h ALA 358 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hsn h ALA 358 CO 0.02 0.19 0.06 -0.22 0.00 0.00 0.00 179.25 179.30 3hsn h LYS 359 N 0.45 0.13 -0.41 0.00 3.64 -0.74 0.14 116.57 119.77 3hsn h LYS 359 Ca 0.11 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3hsn h LYS 359 Cb 0.36 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 3hsn h LYS 359 CO 0.01 0.08 -0.17 1.49 -2.27 0.00 0.00 179.45 178.59 3hsn h GLU 360 N 0.13 -0.08 -0.16 1.90 4.81 -1.05 0.81 114.58 120.94 3hsn h GLU 360 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3hsn h GLU 360 Cb 0.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3hsn h GLU 360 CO -0.06 -0.06 0.07 0.35 -0.73 0.00 0.00 179.01 178.59 3hsn h PHE 361 N -0.09 0.24 -0.76 0.92 3.57 -0.86 -2.56 116.94 117.41 3hsn h PHE 361 Ca 0.20 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hsn h PHE 361 Cb 0.40 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3hsn h PHE 361 CO -0.42 0.30 0.27 -0.07 -2.23 0.00 0.00 178.31 176.16 3hsn h LEU 362 N 0.11 1.07 -0.56 0.59 3.38 -0.48 -0.42 115.31 119.00 3hsn h LEU 362 Ca 0.05 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3hsn h LEU 362 Cb 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3hsn h LEU 362 CO -0.01 0.97 0.22 0.44 0.09 0.00 0.00 178.44 180.16 3hsn h ASP 363 N 1.12 0.24 -0.44 -0.43 3.32 -0.79 0.75 116.42 120.18 3hsn h ASP 363 Ca 0.25 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 3hsn h ASP 363 Cb 0.26 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3hsn h ASP 363 CO -0.01 0.16 -0.15 0.06 -1.72 0.00 0.00 179.24 177.57 3hsn h GLN 364 N 0.41 0.89 0.12 3.56 3.07 -0.98 -0.95 115.11 121.23 3hsn h GLN 364 Ca 0.27 -0.36 0.01 0.00 0.09 0.00 0.00 58.65 58.66 3hsn h GLN 364 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 3hsn h GLN 364 CO -0.26 1.01 -0.15 -0.92 0.09 0.00 0.00 178.83 178.59 3hsn h TYR 365 N 0.72 -0.39 -0.14 0.06 3.20 -0.83 -0.45 116.97 119.14 3hsn h TYR 365 Ca 0.11 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3hsn h TYR 365 Cb 0.71 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3hsn h TYR 365 CO 0.05 -0.23 -0.23 1.88 -1.64 0.00 0.00 178.16 177.99 3hsn h TYR 366 N -0.32 0.26 -0.55 -3.82 0.05 -0.83 -2.14 116.97 109.63 3hsn h TYR 366 Ca 0.01 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 3hsn h TYR 366 Cb 0.32 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3hsn h TYR 366 CO -0.15 0.46 0.22 1.03 -1.05 0.00 0.00 178.16 178.67 3hsn h SER 367 N 0.22 0.76 -0.63 3.88 0.87 -0.90 -0.57 113.55 117.18 3hsn h SER 367 Ca 0.04 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3hsn h SER 367 Cb 0.54 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3hsn h SER 367 CO 0.04 0.73 0.40 0.77 -0.53 0.00 0.00 176.83 178.24 3hsn h SER 368 N 0.75 0.74 -0.43 6.23 4.64 -0.43 -1.84 113.55 123.21 3hsn h SER 368 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hsn h SER 368 Cb 0.21 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hsn h SER 368 CO -0.01 0.55 0.00 2.30 -0.87 0.00 0.00 176.83 178.80 3hsn n ILE 369 N -4.42 1.43 -3.17 0.95 -5.35 -1.00 -4.95 119.36 102.85 3hsn n ILE 369 Ca 0.06 -0.84 -0.23 0.00 -0.27 0.00 0.00 62.75 61.47 3hsn n ILE 369 Cb 0.05 -0.11 0.04 0.00 -1.74 0.00 0.00 39.64 37.88 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 0.61 -5.10 -1.11 6.28 5.02 -0.69 -4.90 118.16 118.28 3hsn n LYS 370 Ca 0.18 0.83 0.02 0.00 -2.02 0.00 0.00 58.31 57.32 3hsn n LYS 370 Cb 0.72 -5.70 0.13 0.00 -0.02 0.00 0.00 35.03 30.16 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 -4.14 1.32 -1.97 1.97 5.12 -0.24 -5.04 116.66 113.69 3hsn n ARG 371 Ca -0.08 -3.02 -0.42 0.00 -1.93 0.00 0.00 57.85 52.41 3hsn n ARG 371 Cb 0.60 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.67 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 -2.35 3.03 0.00 -1.55 2.19 -1.12 -2.39 117.98 115.79 3hsn s PHE 372 Ca 0.38 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.48 3hsn s PHE 372 Cb 0.38 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 38.22 3hsn s PHE 372 CO -0.09 -3.01 0.00 0.41 1.83 0.00 0.00 175.22 174.36 3hsn n GLY 373 N 2.88 0.47 3.89 13.12 0.00 -1.26 -5.02 105.19 119.27 3hsn n GLY 373 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.22 4.39 0.18 1.61 1.04 -1.01 -4.87 113.70 112.82 3hsn s SER 374 Ca 0.00 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.10 3hsn s SER 374 Cb 0.00 -1.28 0.09 0.00 0.10 0.00 0.00 66.02 64.93 3hsn s SER 374 CO 0.00 -1.98 1.74 0.50 0.98 0.00 0.00 173.24 174.48 3hsn h LYS 375 N -1.11 0.93 -0.70 4.02 3.64 -1.95 -1.65 116.57 119.75 3hsn h LYS 375 Ca -0.46 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3hsn h LYS 375 Cb 1.33 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 3hsn h LYS 375 CO 0.65 0.78 0.38 0.00 -2.27 0.00 0.00 179.45 178.99 3hsn h ALA 376 N 1.11 0.96 0.26 5.00 0.00 -1.93 0.26 119.26 124.92 3hsn h ALA 376 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hsn h ALA 376 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hsn h ALA 376 CO -0.02 0.04 -0.16 1.25 0.00 0.00 0.00 179.25 180.36 3hsn h HIS 377 N 0.69 -0.41 -0.48 0.00 -0.00 -1.72 -2.11 115.15 111.12 3hsn h HIS 377 Ca 0.33 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.58 3hsn h HIS 377 Cb 0.25 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 3hsn h HIS 377 CO -0.08 -0.25 -0.13 0.52 -0.00 0.00 0.00 177.93 177.99 3hsn h MET 378 N -0.40 0.93 -0.48 5.26 2.07 -0.78 -2.31 114.93 119.22 3hsn h MET 378 Ca -0.03 -0.36 0.09 0.00 -2.07 0.00 0.00 59.70 57.33 3hsn h MET 378 Cb 0.33 -0.05 -0.08 0.00 -1.87 0.00 0.00 31.60 29.94 3hsn h MET 378 CO 0.03 1.02 0.00 -0.44 1.07 0.00 0.00 176.91 178.59 3hsn h ASP 379 N 0.77 -0.20 -0.49 1.22 5.19 -0.51 -2.06 116.42 120.34 3hsn h ASP 379 Ca 0.12 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 3hsn h ASP 379 Cb 0.69 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 3hsn h ASP 379 CO 0.05 -0.06 0.04 -0.09 -3.12 0.00 0.00 179.24 176.06 3hsn h ARG 380 N 0.12 0.84 -0.29 3.56 9.65 -1.02 0.12 114.38 127.36 3hsn h ARG 380 Ca 0.24 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3hsn h ARG 380 Cb 0.36 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3hsn h ARG 380 CO -0.40 0.86 0.18 -0.07 2.80 0.00 0.00 179.97 183.34 3hsn h LEU 381 N 0.71 0.29 -0.36 3.80 3.38 -1.27 0.51 115.31 122.37 3hsn h LEU 381 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hsn h LEU 381 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3hsn h LEU 381 CO 0.02 0.21 0.19 -0.08 0.09 0.00 0.00 178.44 178.87 3hsn h GLU 382 N 0.36 0.51 -0.42 1.13 4.57 -1.18 0.31 114.58 119.86 3hsn h GLU 382 Ca 0.11 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3hsn h GLU 382 Cb -0.01 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3hsn h GLU 382 CO -0.04 0.43 0.12 1.49 -1.18 0.00 0.00 179.01 179.82 3hsn h GLU 383 N 0.45 0.25 -0.24 1.92 4.81 -0.68 0.22 114.58 121.32 3hsn h GLU 383 Ca 0.13 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3hsn h GLU 383 Cb 0.07 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3hsn h GLU 383 CO -0.02 0.17 -0.20 0.28 -0.73 0.00 0.00 179.01 178.51 3hsn h VAL 384 N 0.26 1.32 -0.59 0.32 2.07 -0.63 -1.00 116.25 118.00 3hsn h VAL 384 Ca 0.20 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.48 3hsn h VAL 384 Cb 0.22 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3hsn h VAL 384 CO -0.23 0.42 0.17 -1.13 0.02 0.00 0.00 177.57 176.81 3hsn h ASN 385 N 0.25 0.10 0.12 0.57 -1.24 -0.13 0.68 115.58 115.93 3hsn h ASN 385 Ca 0.04 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 3hsn h ASN 385 Cb 0.74 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 3hsn h ASN 385 CO 0.05 0.06 -0.25 0.11 -1.29 0.00 0.00 177.43 176.12 3hsn h LYS 386 N 0.32 0.22 -0.11 6.67 1.57 -0.37 -1.89 116.57 122.97 3hsn h LYS 386 Ca 0.31 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 3hsn h LYS 386 Cb 0.42 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3hsn h LYS 386 CO -0.36 0.46 -0.62 1.49 -0.57 0.00 0.00 179.45 179.85 3hsn h GLU 387 N 0.20 0.62 -0.03 3.15 4.81 0.15 -1.66 114.58 121.81 3hsn h GLU 387 Ca 0.03 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hsn h GLU 387 Cb 0.55 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hsn h GLU 387 CO 0.04 1.14 0.01 0.82 -0.73 0.00 0.00 179.01 180.29 3hsn h ILE 388 N 0.26 1.13 -0.77 2.32 2.04 -0.78 0.30 117.51 122.01 3hsn h ILE 388 Ca -0.05 -0.39 0.17 0.00 1.00 0.00 0.00 64.86 65.59 3hsn h ILE 388 Cb 1.27 1.34 -0.12 0.00 -0.74 0.00 0.00 36.82 38.57 3hsn h ILE 388 CO 0.13 0.11 0.18 -0.08 0.00 0.00 0.00 178.15 178.49 3hsn h GLU 389 N -0.11 0.25 0.04 2.37 4.57 -1.36 0.49 114.58 120.83 3hsn h GLU 389 Ca 0.01 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3hsn h GLU 389 Cb 0.16 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3hsn h GLU 389 CO -0.00 0.17 -0.59 1.03 -1.18 0.00 0.00 179.01 178.44 3hsn h SER 390 N 0.26 0.14 -0.02 1.04 0.87 -1.11 -3.40 113.55 111.33 3hsn h SER 390 Ca 0.44 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3hsn h SER 390 Cb 0.78 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3hsn h SER 390 CO -0.54 1.25 -0.03 0.35 -0.53 0.00 0.00 176.83 177.34 3hsn n THR 391 N -4.39 0.00 -0.75 2.23 -2.24 0.10 -4.98 114.28 104.25 3hsn n THR 391 Ca -0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3hsn n THR 391 Cb 0.64 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3hsn n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hsn n SER 392 N 0.66 -0.60 -1.68 3.42 7.64 0.17 -4.90 113.62 118.33 3hsn n SER 392 Ca 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 3hsn n SER 392 Cb 0.33 -1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 62.00 3hsn n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3hsn n THR 393 N -2.06 0.00 -3.93 0.44 5.66 -1.25 -4.75 114.28 108.39 3hsn n THR 393 Ca 0.00 -0.53 -0.09 0.00 -3.05 0.00 0.00 64.05 60.39 3hsn n THR 393 Cb 0.04 0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 69.15 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 -5.13 0.16 -0.09 1.09 1.13 -1.26 -2.88 117.35 110.37 3hsn s TYR 394 Ca 0.09 -0.55 0.03 0.00 -1.41 0.00 0.00 57.07 55.23 3hsn s TYR 394 Cb -0.01 0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 41.18 3hsn s TYR 394 CO 0.06 -1.04 -0.18 -0.65 -2.51 0.00 0.00 175.55 171.23 3hsn s GLN 395 N -3.97 2.95 0.29 -3.49 -1.52 -1.26 -5.05 119.66 107.60 3hsn s GLN 395 Ca 0.18 -0.77 -0.29 0.00 -1.95 0.00 0.00 55.36 52.53 3hsn s GLN 395 Cb -0.02 -2.41 -0.09 0.00 -0.22 0.00 0.00 33.01 30.26 3hsn s GLN 395 CO 0.07 0.34 1.06 -0.51 -0.25 0.00 0.00 175.29 175.99 3hsn s LEU 396 N -0.01 4.51 0.74 2.90 1.43 -1.26 -5.05 118.68 121.95 3hsn s LEU 396 Ca -0.06 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 3hsn s LEU 396 Cb -0.15 -3.71 0.05 0.00 0.03 0.00 0.00 46.19 42.41 3hsn s LEU 396 CO 0.05 -0.13 1.14 -0.54 0.23 0.00 0.00 176.35 177.10 3hsn s LYS 397 N -1.56 2.21 0.26 1.70 -0.14 -1.26 -4.82 119.74 116.12 3hsn s LYS 397 Ca 0.46 1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 56.51 3hsn s LYS 397 Cb -0.29 -1.87 0.38 0.00 -1.68 0.00 0.00 37.83 34.37 3hsn s LYS 397 CO 0.37 -1.73 1.87 -0.44 -0.76 0.00 0.00 175.35 174.66 3hsn h ASP 398 N -0.61 0.94 -0.95 2.83 5.19 -1.99 -0.81 116.42 121.03 3hsn h ASP 398 Ca -0.46 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3hsn h ASP 398 Cb 1.26 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.54 3hsn h ASP 398 CO 0.50 0.60 0.60 0.71 -3.12 0.00 0.00 179.24 178.53 3hsn h THR 399 N 1.08 1.25 -0.45 0.35 1.35 -2.00 -1.64 112.91 112.85 3hsn h THR 399 Ca 0.41 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.65 3hsn h THR 399 Cb 0.18 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 3hsn h THR 399 CO -0.18 0.25 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.84 3hsn h GLU 400 N 1.29 0.91 -0.23 4.72 5.08 -1.59 -1.88 114.58 122.89 3hsn h GLU 400 Ca 0.34 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hsn h GLU 400 Cb -0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3hsn h GLU 400 CO -0.07 1.04 0.11 1.25 -1.00 0.00 0.00 179.01 180.33 3hsn h LEU 401 N 0.75 0.31 -0.13 1.33 5.85 -1.01 0.73 115.31 123.13 3hsn h LEU 401 Ca 0.10 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hsn h LEU 401 Cb 0.74 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hsn h LEU 401 CO 0.06 0.35 0.06 0.40 -0.34 0.00 0.00 178.44 178.97 3hsn h ILE 402 N 0.24 1.12 -0.53 4.05 2.04 -1.31 -1.04 117.51 122.07 3hsn h ILE 402 Ca 0.08 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3hsn h ILE 402 Cb 0.13 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3hsn h ILE 402 CO -0.01 0.11 0.28 0.22 0.00 0.00 0.00 178.15 178.75 3hsn h TYR 403 N 0.08 0.52 -0.21 1.37 5.03 -1.29 -1.88 116.97 120.59 3hsn h TYR 403 Ca 0.04 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.39 3hsn h TYR 403 Cb 0.12 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 3hsn h TYR 403 CO -0.03 0.26 0.09 0.78 -1.32 0.00 0.00 178.16 177.94 3hsn h GLY 404 N 0.55 0.27 1.14 1.82 0.00 -0.65 -1.32 103.07 104.88 3hsn h GLY 404 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3hsn h GLY 404 CO -0.15 0.05 -0.11 0.00 0.00 0.00 0.00 176.54 176.33 3hsn h ALA 405 N 1.12 0.80 -0.33 3.60 0.00 -1.08 -0.01 119.26 123.36 3hsn h ALA 405 Ca 0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3hsn h ALA 405 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hsn h ALA 405 CO -0.07 0.67 -0.10 0.87 0.00 0.00 0.00 179.25 180.61 3hsn h LYS 406 N 0.89 0.55 0.00 0.00 1.57 -1.18 -2.62 116.57 115.79 3hsn h LYS 406 Ca 0.14 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 3hsn h LYS 406 Cb 0.67 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3hsn h LYS 406 CO 0.05 0.65 -0.92 0.45 -0.57 0.00 0.00 179.45 179.11 3hsn h HIS 407 N 0.51 0.04 -0.68 -1.35 3.86 -0.85 -1.05 115.15 115.62 3hsn h HIS 407 Ca 0.10 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3hsn h HIS 407 Cb 0.48 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 3hsn h HIS 407 CO 0.02 0.92 0.45 0.00 0.86 0.00 0.00 177.93 180.18 3hsn h ALA 408 N 1.07 1.51 -0.02 2.45 0.00 -0.80 0.11 119.26 123.58 3hsn h ALA 408 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hsn h ALA 408 Cb 1.61 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hsn h ALA 408 CO 0.12 0.45 -0.03 2.35 0.00 0.00 0.00 179.25 182.15 3hsn h TRP 409 N 0.93 0.07 -0.98 0.00 7.01 -1.22 -2.85 115.95 118.90 3hsn h TRP 409 Ca 0.25 -0.02 0.26 0.00 2.11 0.00 0.00 58.89 61.49 3hsn h TRP 409 Cb -0.11 -0.01 -0.13 0.00 -2.10 0.00 0.00 29.16 26.81 3hsn h TRP 409 CO 0.00 0.58 0.54 -0.09 -2.79 0.00 0.00 178.44 176.68 3hsn h ARG 410 N -0.47 0.45 -0.00 2.65 2.43 -0.82 -0.98 114.38 117.64 3hsn h ARG 410 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hsn h ARG 410 Cb 0.58 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3hsn h ARG 410 CO 0.01 0.30 -0.06 0.09 -1.51 0.00 0.00 179.97 178.79 3hsn n ASN 411 N -4.97 0.52 -4.56 -3.80 3.02 0.34 -4.84 115.26 100.98 3hsn n ASN 411 Ca 0.27 -0.81 -0.35 0.00 -0.03 0.00 0.00 54.58 53.67 3hsn n ASN 411 Cb 0.79 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.29 2.15 0.58 5.41 0.00 -0.37 -4.71 121.76 122.52 3hsn s ALA 412 Ca 0.35 -1.40 0.28 0.00 0.00 0.00 0.00 51.96 51.18 3hsn s ALA 412 Cb 0.21 -4.44 1.57 0.00 0.00 0.00 0.00 23.12 20.46 3hsn s ALA 412 CO 0.43 -4.12 2.05 0.77 0.00 0.00 0.00 175.76 174.89 3hsn h SER 413 N 11.85 0.00 -0.05 0.00 0.02 -1.89 -1.59 113.55 121.89 3hsn h SER 413 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hsn h SER 413 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3hsn h SER 413 CO 1.26 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 177.49 3hsn n ARG 414 N -3.90 1.91 -3.58 3.45 1.74 -1.26 -0.24 116.66 114.78 3hsn n ARG 414 Ca 0.04 -1.33 -0.39 0.00 -0.77 0.00 0.00 57.85 55.40 3hsn n ARG 414 Cb 0.41 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 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 5.07 0.38 -0.54 0.00 3.14 -1.26 -3.96 118.33 121.15 3hsn n VAL 416 Ca -0.14 -0.11 0.04 0.00 -2.96 0.00 0.00 64.34 61.16 3hsn n VAL 416 Cb 0.51 -0.60 0.31 0.00 -1.06 0.00 0.00 33.84 33.00 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 1.26 2.80 0.00 7.55 0.00 -1.26 -4.47 105.19 111.07 3hsn n GLY 417 Ca 0.06 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.39 0.19 0.07 1.61 1.74 -1.25 -2.66 116.66 116.75 3hsn n ARG 418 Ca 0.24 0.09 0.19 0.00 -0.77 0.00 0.00 57.85 57.60 3hsn n ARG 418 Cb 1.05 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 31.72 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 0.60 -0.11 0.55 2.10 -1.88 -1.02 117.51 117.75 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 0.29 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 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 -4.11 1.37 -0.18 2.19 1.13 -1.09 -4.63 117.38 112.06 3hsn n GLN 420 Ca 0.07 -0.56 0.05 0.00 -1.94 0.00 0.00 57.00 54.62 3hsn n GLN 420 Cb 0.54 -1.26 0.33 0.00 0.11 0.00 0.00 30.24 29.96 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 1.04 0.80 -0.00 1.08 5.08 -1.41 -1.74 115.95 120.80 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 0.23 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 3hsn h TRP 421 CO 0.07 0.45 -0.01 -1.13 -1.28 0.00 0.00 178.44 176.54 3hsn n SER 422 N -4.47 0.03 -0.84 0.11 3.41 -1.26 -3.13 113.62 107.48 3hsn n SER 422 Ca 0.10 0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 3hsn n SER 422 Cb 0.17 -0.33 0.28 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.34 2.12 -1.66 4.33 4.76 -0.65 -4.99 118.16 120.73 3hsn n LYS 423 Ca 0.12 -1.66 -0.46 0.00 -2.87 0.00 0.00 58.31 53.43 3hsn n LYS 423 Cb 0.28 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 3hsn n LYS 423 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3hsn n LEU 424 N 0.93 2.88 -4.63 -0.35 7.94 -1.18 -4.84 117.00 117.74 3hsn n LEU 424 Ca 0.17 1.11 -0.40 0.00 -1.11 0.00 0.00 56.01 55.78 3hsn n LEU 424 Cb 0.49 -1.39 -0.06 0.00 0.53 0.00 0.00 43.42 42.99 3hsn n LEU 424 CO 0.15 -0.50 0.38 -1.58 -1.11 0.00 0.00 177.39 174.73 3hsn s GLN 425 N 0.25 4.13 -0.24 1.96 2.00 -1.00 -4.99 119.66 121.78 3hsn s GLN 425 Ca 0.75 0.55 -0.08 0.00 -2.00 0.00 0.00 55.36 54.58 3hsn s GLN 425 Cb -0.70 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 29.44 3hsn s GLN 425 CO 0.44 -0.36 0.08 0.08 -0.50 0.00 0.00 175.29 175.04 3hsn s VAL 426 N 2.33 4.55 -0.31 1.34 1.01 -1.26 -1.22 120.40 126.85 3hsn s VAL 426 Ca 0.26 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 3hsn s VAL 426 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3hsn s VAL 426 CO 0.09 0.35 0.14 -0.36 0.00 0.00 0.00 175.10 175.32 3hsn s PHE 427 N 1.36 3.17 -0.69 5.22 0.08 0.55 -4.98 117.98 122.70 3hsn s PHE 427 Ca 0.05 -0.60 -0.25 0.00 0.12 0.00 0.00 56.93 56.26 3hsn s PHE 427 Cb -0.15 -2.34 0.05 0.00 -0.57 0.00 0.00 43.02 40.01 3hsn s PHE 427 CO 0.04 -0.46 1.13 0.34 -0.10 0.00 0.00 175.22 176.17 3hsn s ASP 428 N 1.60 6.19 -0.39 1.36 -1.08 -1.26 -1.22 116.67 121.88 3hsn s ASP 428 Ca 0.04 -0.63 0.06 0.00 -0.52 0.00 0.00 52.55 51.51 3hsn s ASP 428 Cb -0.17 -2.50 0.65 0.00 -1.46 0.00 0.00 42.92 39.45 3hsn s ASP 428 CO 0.06 -1.63 1.80 0.00 0.52 0.00 0.00 175.17 175.92 3hsn n ALA 429 N 8.57 5.10 0.78 3.66 0.00 0.91 -4.64 120.51 134.88 3hsn n ALA 429 Ca 0.00 -2.82 0.09 0.00 0.00 0.00 0.00 53.44 50.72 3hsn n ALA 429 Cb 0.47 -1.26 0.43 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.92 0.17 -0.01 0.00 1.74 -1.07 -2.08 116.66 114.49 3hsn n ARG 430 Ca 0.50 0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 3hsn n ARG 430 Cb 1.48 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 31.78 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 -1.36 2.10 -4.76 0.55 5.75 -1.26 -4.55 116.55 113.02 3hsn n ASP 431 Ca 0.07 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.74 3hsn n ASP 431 Cb 0.16 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3hsn n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hsn n THR 433 N 1.19 0.00 -4.30 0.00 -2.24 -1.26 -4.77 114.28 102.90 3hsn n THR 433 Ca 0.00 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3hsn n THR 433 Cb 0.43 0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.48 0.80 0.29 4.28 -4.23 -1.26 -4.63 115.64 109.40 3hsn s THR 434 Ca 0.00 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 3hsn s THR 434 Cb 0.00 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.55 3hsn s THR 434 CO 0.00 -0.29 1.73 0.00 -0.54 0.00 0.00 174.62 175.52 3hsn h ALA 435 N 2.52 1.13 -0.42 3.99 0.00 -1.90 -1.69 119.26 122.88 3hsn h ALA 435 Ca -0.38 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 3hsn h ALA 435 Cb 1.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hsn h ALA 435 CO 0.63 0.55 -0.19 0.45 0.00 0.00 0.00 179.25 180.69 3hsn h HIS 436 N 0.37 0.92 -0.66 0.00 3.86 -1.97 -1.38 115.15 116.28 3hsn h HIS 436 Ca 0.05 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3hsn h HIS 436 Cb 0.68 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3hsn h HIS 436 CO 0.02 0.93 0.39 0.78 0.86 0.00 0.00 177.93 180.91 3hsn h GLY 437 N 0.96 0.96 0.80 2.45 0.00 -1.86 -2.14 103.07 104.24 3hsn h GLY 437 Ca 0.10 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3hsn h GLY 437 CO 0.05 0.39 0.41 -0.33 0.00 0.00 0.00 176.54 177.06 3hsn h MET 438 N 0.90 0.75 -0.56 4.80 0.00 -1.05 -1.18 114.93 118.59 3hsn h MET 438 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 59.70 59.90 3hsn h MET 438 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 31.60 31.39 3hsn h MET 438 CO -0.04 0.50 0.37 0.35 0.00 0.00 0.00 176.91 178.09 3hsn h PHE 439 N 0.78 0.70 -0.27 -0.22 3.57 -0.92 -0.35 116.94 120.23 3hsn h PHE 439 Ca 0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hsn h PHE 439 Cb 0.09 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3hsn h PHE 439 CO -0.06 0.43 0.13 -0.97 -2.23 0.00 0.00 178.31 175.62 3hsn h ASN 440 N 0.75 0.34 -0.91 0.41 -0.00 -0.85 -0.82 115.58 114.50 3hsn h ASN 440 Ca 0.21 -0.11 0.05 0.00 -0.00 0.00 0.00 56.30 56.45 3hsn h ASN 440 Cb -0.07 -0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 38.10 3hsn h ASN 440 CO -0.05 0.36 0.58 1.88 -0.00 0.00 0.00 177.43 180.20 3hsn h TYR 441 N 0.30 1.08 -0.21 0.67 0.05 -1.07 -2.14 116.97 115.65 3hsn h TYR 441 Ca 0.09 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.72 3hsn h TYR 441 Cb 0.10 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 3hsn h TYR 441 CO -0.02 0.58 -0.58 0.82 -1.05 0.00 0.00 178.16 177.90 3hsn h ILE 442 N 1.09 1.30 -0.83 -2.88 2.04 -0.63 -0.94 117.51 116.66 3hsn h ILE 442 Ca 0.38 -1.81 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 3hsn h ILE 442 Cb 0.10 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3hsn h ILE 442 CO -0.15 0.57 0.39 0.00 0.00 0.00 0.00 178.15 178.96 3hsn h ASN 444 N 1.19 0.97 0.29 0.00 2.35 -1.11 -0.72 115.58 118.56 3hsn h ASN 444 Ca 0.29 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3hsn h ASN 444 Cb 0.13 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3hsn h ASN 444 CO -0.03 1.09 -0.14 -0.74 -1.65 0.00 0.00 177.43 175.95 3hsn h HIS 445 N 0.86 -0.36 -0.68 1.19 2.76 -0.92 -0.24 115.15 117.75 3hsn h HIS 445 Ca 0.13 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.38 3hsn h HIS 445 Cb 0.67 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.68 3hsn h HIS 445 CO 0.04 -0.18 0.33 0.28 -1.30 0.00 0.00 177.93 177.10 3hsn h VAL 446 N -0.45 0.85 -0.27 5.26 2.07 -0.91 0.10 116.25 122.90 3hsn h VAL 446 Ca -0.04 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3hsn h VAL 446 Cb 0.34 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3hsn h VAL 446 CO 0.07 0.10 -0.15 0.50 0.02 0.00 0.00 177.57 178.11 3hsn h LYS 447 N 0.57 0.57 -0.30 1.57 3.64 -1.03 -0.87 116.57 120.73 3hsn h LYS 447 Ca 0.33 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3hsn h LYS 447 Cb 0.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3hsn h LYS 447 CO -0.26 0.83 0.12 -0.92 -2.27 0.00 0.00 179.45 176.95 3hsn h TYR 448 N 0.31 0.45 -0.28 1.91 3.20 -0.72 -2.25 116.97 119.58 3hsn h TYR 448 Ca 0.06 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3hsn h TYR 448 Cb 0.67 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3hsn h TYR 448 CO 0.06 0.43 -0.35 0.00 -1.64 0.00 0.00 178.16 176.67 3hsn h ALA 449 N 0.97 0.43 -0.05 1.82 0.00 -0.78 -3.25 119.26 118.40 3hsn h ALA 449 Ca 0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hsn h ALA 449 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hsn h ALA 449 CO -0.01 0.49 0.01 1.15 0.00 0.00 0.00 179.25 180.90 3hsn h THR 450 N 0.49 1.17 -6.31 0.00 2.02 -1.19 -0.25 112.91 108.84 3hsn h THR 450 Ca 0.04 -0.51 -0.47 0.00 0.77 0.00 0.00 66.41 66.23 3hsn h THR 450 Cb 0.94 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3hsn h THR 450 CO 0.08 0.14 -0.79 -3.20 0.37 0.00 0.00 175.52 172.12 3hsn n ASN 451 N -4.94 -3.38 -2.06 4.18 5.15 -0.85 -0.89 115.26 112.47 3hsn n ASN 451 Ca -0.07 -0.83 -0.20 0.00 -0.60 0.00 0.00 54.58 52.88 3hsn n ASN 451 Cb 0.13 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.59 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 -4.54 -1.56 0.00 1.20 5.02 -1.26 -2.11 118.16 114.91 3hsn n LYS 452 Ca -0.07 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 3hsn n LYS 452 Cb 0.57 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 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 -0.82 2.38 3.32 0.72 0.00 -0.07 -4.93 105.19 105.79 3hsn n GLY 453 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 5.41 -4.76 1.61 5.15 -0.90 -1.35 115.26 120.42 3hsn n ASN 454 Ca 0.00 -3.05 -0.38 0.00 -0.60 0.00 0.00 54.58 50.56 3hsn n ASN 454 Cb 0.00 -1.47 0.01 0.00 -0.53 0.00 0.00 39.78 37.79 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 0.05 3.97 -0.04 1.20 1.02 -1.24 -4.59 118.68 119.05 3hsn s LEU 455 Ca 0.37 2.50 0.02 0.00 0.02 0.00 0.00 54.13 57.05 3hsn s LEU 455 Cb -0.03 -4.23 0.01 0.00 0.02 0.00 0.00 46.19 41.96 3hsn s LEU 455 CO -0.02 -1.15 -0.09 -0.13 0.02 0.00 0.00 176.35 174.98 3hsn s ARG 456 N -2.74 1.17 0.38 1.70 0.52 -0.11 -5.01 118.95 114.86 3hsn s ARG 456 Ca 0.66 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 55.29 3hsn s ARG 456 Cb -0.34 -1.05 -0.10 0.00 0.52 0.00 0.00 34.95 33.99 3hsn s ARG 456 CO 0.40 0.06 1.38 -1.54 0.02 0.00 0.00 175.30 175.62 3hsn s SER 457 N 0.46 6.43 0.05 0.23 1.04 -1.26 -4.48 113.70 116.16 3hsn s SER 457 Ca -0.08 2.82 -0.26 0.00 0.48 0.00 0.00 55.95 58.91 3hsn s SER 457 Cb -0.12 -2.65 0.06 0.00 0.10 0.00 0.00 66.02 63.41 3hsn s SER 457 CO 0.01 -0.79 0.60 0.00 0.98 0.00 0.00 173.24 174.05 3hsn s ALA 458 N -1.17 -1.57 0.01 5.32 0.00 -0.81 -2.37 121.76 121.17 3hsn s ALA 458 Ca 0.53 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.33 3hsn s ALA 458 Cb -0.42 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hsn s ALA 458 CO 0.56 -0.54 -0.03 -1.50 0.00 0.00 0.00 175.76 174.25 3hsn s ILE 459 N -2.37 0.21 -0.14 0.00 2.07 -0.35 -0.90 121.20 119.72 3hsn s ILE 459 Ca -0.06 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 3hsn s ILE 459 Cb -0.01 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.36 3hsn s ILE 459 CO -0.01 -0.11 -0.21 -0.89 -1.91 0.00 0.00 174.94 171.81 3hsn s THR 460 N -0.50 2.15 -0.33 4.00 2.01 -0.75 -0.33 115.64 121.90 3hsn s THR 460 Ca -0.04 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 3hsn s THR 460 Cb -0.04 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.67 3hsn s THR 460 CO -0.00 0.55 0.07 -0.63 -0.69 0.00 0.00 174.62 173.91 3hsn s ILE 461 N 0.78 3.27 0.79 1.82 1.01 -0.35 -3.14 121.20 125.38 3hsn s ILE 461 Ca -0.08 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.02 3hsn s ILE 461 Cb -0.16 -2.95 0.09 0.00 0.01 0.00 0.00 42.46 39.45 3hsn s ILE 461 CO -0.01 -0.25 1.13 -0.36 0.00 0.00 0.00 174.94 175.46 3hsn s PHE 462 N 1.27 2.76 0.43 3.97 0.08 -0.95 -0.07 117.98 125.47 3hsn s PHE 462 Ca -0.01 0.57 -0.25 0.00 0.12 0.00 0.00 56.93 57.36 3hsn s PHE 462 Cb -0.20 -3.45 -0.10 0.00 -0.57 0.00 0.00 43.02 38.70 3hsn s PHE 462 CO -0.01 -1.75 1.15 -2.30 -0.10 0.00 0.00 175.22 172.21 3hsn n PRO 463 N -3.22 1.62 -1.36 0.24 -0.02 -1.26 -4.69 135.00 126.31 3hsn n PRO 463 Ca 0.09 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 3hsn n PRO 463 Cb 0.61 -2.23 0.09 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.16 2.30 0.52 -0.52 -2.07 -1.26 -4.58 119.66 111.89 3hsn s GLN 464 Ca 0.63 1.29 -0.22 0.00 -1.82 0.00 0.00 55.36 55.24 3hsn s GLN 464 Cb -0.53 -1.89 -0.06 0.00 -1.09 0.00 0.00 33.01 29.44 3hsn s GLN 464 CO 0.57 -1.62 1.28 0.50 -1.32 0.00 0.00 175.29 174.69 3hsn s ARG 465 N -4.60 3.33 0.00 9.60 3.52 0.69 -4.92 118.95 126.58 3hsn s ARG 465 Ca 0.64 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 3hsn s ARG 465 Cb -0.19 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 3hsn s ARG 465 CO 0.51 -0.98 0.00 0.25 -0.81 0.00 0.00 175.30 174.28 3hsn n THR 466 N -0.89 0.00 1.02 4.11 -2.24 -1.26 -4.76 114.28 110.26 3hsn n THR 466 Ca 0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3hsn n THR 466 Cb 0.46 -0.31 0.11 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.52 2.87 0.00 3.42 5.75 -1.26 -4.89 116.55 121.92 3hsn n ASP 467 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3hsn n ASP 467 Cb 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.35 1.42 0.63 6.12 0.00 -1.26 -4.78 105.19 108.67 3hsn n GLY 468 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 2.66 -2.59 1.61 4.76 -1.26 -4.48 118.16 116.86 3hsn n LYS 469 Ca 0.00 -1.97 -0.08 0.00 -2.87 0.00 0.00 58.31 53.39 3hsn n LYS 469 Cb 0.00 -1.27 0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3hsn n LYS 469 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hsn n HIS 470 N 0.53 1.72 -2.39 2.13 8.25 -1.26 -4.30 115.22 119.91 3hsn n HIS 470 Ca 0.11 -2.24 -0.41 0.00 -0.26 0.00 0.00 57.72 54.92 3hsn n HIS 470 Cb 0.41 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.69 7.12 0.07 0.41 1.11 -1.26 -3.49 116.67 116.94 3hsn s ASP 471 Ca 0.34 2.27 -0.23 0.00 0.18 0.00 0.00 52.55 55.11 3hsn s ASP 471 Cb 0.36 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.67 3hsn s ASP 471 CO -0.02 -0.31 0.71 -0.36 1.18 0.00 0.00 175.17 176.37 3hsn s PHE 472 N -0.45 3.78 -0.08 4.23 0.40 -1.26 -1.86 117.98 122.74 3hsn s PHE 472 Ca 0.50 1.44 -0.08 0.00 -0.60 0.00 0.00 56.93 58.19 3hsn s PHE 472 Cb -0.33 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.50 3hsn s PHE 472 CO 0.39 0.40 0.23 1.03 0.70 0.00 0.00 175.22 177.97 3hsn s ARG 473 N -0.52 0.28 -0.33 0.44 1.81 -0.23 -3.22 118.95 117.17 3hsn s ARG 473 Ca 0.35 0.30 -0.17 0.00 -1.72 0.00 0.00 55.73 54.49 3hsn s ARG 473 Cb -0.21 0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.42 3hsn s ARG 473 CO 0.22 -0.04 0.48 0.08 -0.68 0.00 0.00 175.30 175.37 3hsn s VAL 474 N 0.07 5.05 0.34 3.52 1.01 -1.26 -1.00 120.40 128.12 3hsn s VAL 474 Ca -0.01 0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.45 3hsn s VAL 474 Cb -0.02 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3hsn s VAL 474 CO 0.00 -0.14 1.77 -0.50 0.00 0.00 0.00 175.10 176.23 3hsn h TRP 475 N 8.40 0.07 -3.83 5.22 4.06 -1.48 -3.43 115.95 124.96 3hsn h TRP 475 Ca -0.28 -0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.08 3hsn h TRP 475 Cb 1.13 -0.02 0.15 0.00 -1.00 0.00 0.00 29.16 29.43 3hsn h TRP 475 CO 0.72 0.47 0.40 0.09 -3.56 0.00 0.00 178.44 176.56 3hsn n ASN 476 N -4.04 1.84 0.04 -3.49 4.13 -1.26 -4.91 115.26 107.56 3hsn n ASN 476 Ca -0.02 0.89 -0.11 0.00 1.68 0.00 0.00 54.58 57.03 3hsn n ASN 476 Cb 0.45 -1.50 -0.13 0.00 -1.54 0.00 0.00 39.78 37.06 3hsn n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3hsn h SER 477 N 0.93 0.14 -4.19 6.41 4.64 -1.90 -3.34 113.55 116.24 3hsn h SER 477 Ca -0.50 -0.19 -0.32 0.00 -0.47 0.00 0.00 61.79 60.31 3hsn h SER 477 Cb 1.33 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.22 3hsn h SER 477 CO 0.54 1.16 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.84 3hsn s GLN 478 N -2.64 0.96 0.23 4.77 -0.21 -1.26 -1.32 119.66 120.18 3hsn s GLN 478 Ca -0.04 -1.32 -0.08 0.00 0.02 0.00 0.00 55.36 53.94 3hsn s GLN 478 Cb 0.08 -0.57 0.21 0.00 1.00 0.00 0.00 33.01 33.74 3hsn s GLN 478 CO 0.83 0.07 1.90 -0.07 -2.12 0.00 0.00 175.29 175.91 3hsn h LEU 479 N 3.13 1.04 -8.16 2.90 3.38 -1.49 -3.38 115.31 112.74 3hsn h LEU 479 Ca -0.37 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 56.90 3hsn h LEU 479 Cb 1.19 -0.26 -0.32 0.00 0.09 0.00 0.00 40.66 41.35 3hsn h LEU 479 CO 0.59 0.77 -0.79 -0.63 0.09 0.00 0.00 178.44 178.47 3hsn s ILE 480 N -6.08 2.63 0.14 1.22 1.01 -1.26 -4.86 121.20 114.00 3hsn s ILE 480 Ca -0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 3hsn s ILE 480 Cb 0.17 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.43 3hsn s ILE 480 CO 0.81 0.37 0.41 -0.13 0.00 0.00 0.00 174.94 176.40 3hsn s ARG 481 N 1.33 1.13 0.07 2.79 0.52 -1.26 -4.82 118.95 118.71 3hsn s ARG 481 Ca 0.03 -0.79 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 3hsn s ARG 481 Cb -0.15 0.47 -0.06 0.00 0.52 0.00 0.00 34.95 35.73 3hsn s ARG 481 CO -0.08 -0.45 0.39 0.71 0.02 0.00 0.00 175.30 175.89 3hsn s TYR 482 N -3.84 3.59 0.68 -0.53 2.02 -1.26 -0.14 117.35 117.87 3hsn s TYR 482 Ca 0.06 0.78 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 3hsn s TYR 482 Cb 0.01 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 3hsn s TYR 482 CO -0.09 0.54 1.08 0.00 -1.57 0.00 0.00 175.55 175.51 3hsn s ALA 483 N -1.37 2.53 -0.03 3.71 0.00 -0.12 -4.48 121.76 121.99 3hsn s ALA 483 Ca 0.32 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.68 3hsn s ALA 483 Cb -0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3hsn s ALA 483 CO 0.18 -1.26 -0.15 0.20 0.00 0.00 0.00 175.76 174.73 3hsn s GLY 484 N -3.04 0.79 -0.14 0.00 0.00 -1.23 -1.64 107.32 102.05 3hsn s GLY 484 Ca 0.63 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 3hsn s GLY 484 CO 0.46 -0.36 -0.04 -0.19 0.00 0.00 0.00 173.10 172.98 3hsn s TYR 485 N -0.05 1.41 0.22 1.90 2.02 0.30 -4.24 117.35 118.91 3hsn s TYR 485 Ca -0.01 -0.84 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 3hsn s TYR 485 Cb -0.09 -1.18 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3hsn s TYR 485 CO 0.01 -0.55 1.39 0.15 -1.57 0.00 0.00 175.55 174.99 3hsn s LYS 486 N 1.73 4.31 0.19 -0.62 -0.14 -1.26 -0.65 119.74 123.30 3hsn s LYS 486 Ca 0.02 2.19 0.05 0.00 -1.36 0.00 0.00 55.97 56.88 3hsn s LYS 486 Cb -0.14 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 3hsn s LYS 486 CO -0.07 -0.37 0.17 -0.65 -0.76 0.00 0.00 175.35 173.67 3hsn s GLN 487 N -0.09 2.97 0.41 1.68 -1.52 0.14 -4.92 119.66 118.34 3hsn s GLN 487 Ca 0.59 -0.88 0.18 0.00 -1.95 0.00 0.00 55.36 53.30 3hsn s GLN 487 Cb -0.40 -2.66 1.09 0.00 -0.22 0.00 0.00 33.01 30.82 3hsn s GLN 487 CO 0.40 0.47 1.82 -1.35 -0.25 0.00 0.00 175.29 176.37 3hsn h PRO 488 N 2.13 0.40 -0.52 2.91 0.11 -1.96 -1.79 132.00 133.28 3hsn h PRO 488 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hsn h PRO 488 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hsn h PRO 488 CO 0.63 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 3hsn n ASP 489 N -4.55 1.99 0.00 -2.05 5.75 -1.26 -4.90 116.55 111.52 3hsn n ASP 489 Ca 0.22 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3hsn n ASP 489 Cb 0.77 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3hsn n ASP 489 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hsn n GLY 490 N 0.61 3.26 3.94 6.12 0.00 -0.67 -5.03 105.19 113.42 3hsn n GLY 490 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.91 3.88 -0.12 1.61 1.04 -1.26 -4.75 113.70 113.18 3hsn s SER 491 Ca 0.00 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.69 3hsn s SER 491 Cb 0.00 -0.55 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 3hsn s SER 491 CO 0.00 -2.23 -0.10 -0.89 0.98 0.00 0.00 173.24 171.00 3hsn s THR 492 N -3.58 3.33 -0.16 2.02 2.01 -1.26 -0.68 115.64 117.31 3hsn s THR 492 Ca 0.68 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 3hsn s THR 492 Cb -0.06 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3hsn s THR 492 CO 0.49 0.53 0.19 -0.22 -0.69 0.00 0.00 174.62 174.92 3hsn s LEU 493 N 0.11 4.27 0.00 4.42 2.96 0.18 -4.95 118.68 125.67 3hsn s LEU 493 Ca -0.04 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3hsn s LEU 493 Cb -0.14 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.37 3hsn s LEU 493 CO 0.04 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.90 3hsn n GLY 494 N 3.07 0.18 3.51 7.98 0.00 -1.26 -0.54 105.19 118.13 3hsn n GLY 494 Ca -0.16 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 6.21 0.59 1.61 -1.08 -0.65 -4.79 116.67 114.56 3hsn s ASP 495 Ca 0.00 -0.49 0.34 0.00 -0.52 0.00 0.00 52.55 51.88 3hsn s ASP 495 Cb 0.00 -2.23 1.83 0.00 -1.46 0.00 0.00 42.92 41.07 3hsn s ASP 495 CO 0.00 -0.52 2.20 -0.65 0.52 0.00 0.00 175.17 176.72 3hsn h PRO 496 N 8.64 0.00 0.00 4.34 0.11 -1.82 -1.89 132.00 141.39 3hsn h PRO 496 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hsn h PRO 496 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hsn h PRO 496 CO 0.77 0.04 -0.01 0.00 -0.21 0.00 0.00 178.00 178.59 3hsn h ALA 497 N 1.96 1.10 -0.19 -0.75 0.00 -1.93 -3.09 119.26 116.36 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 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hsn h ALA 497 CO 0.01 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3hsn n ASN 498 N -3.24 3.21 0.13 0.00 3.02 -0.71 -4.72 115.26 112.95 3hsn n ASN 498 Ca -0.02 -2.78 -0.14 0.00 -0.03 0.00 0.00 54.58 51.61 3hsn n ASN 498 Cb 0.11 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.27 0.84 -0.33 2.41 2.07 -1.67 -1.47 116.25 119.37 3hsn h VAL 499 Ca 0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3hsn h VAL 499 Cb 1.14 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3hsn h VAL 499 CO 0.11 0.05 0.13 -0.61 0.02 0.00 0.00 177.57 177.27 3hsn h GLN 500 N -0.38 0.28 -0.49 1.57 4.15 -1.86 -2.04 115.11 116.33 3hsn h GLN 500 Ca -0.03 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3hsn h GLN 500 Cb 0.29 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3hsn h GLN 500 CO 0.05 0.18 -0.05 0.35 -1.93 0.00 0.00 178.83 177.43 3hsn h PHE 501 N 0.29 0.92 -0.51 3.99 3.57 -1.89 -1.89 116.94 121.43 3hsn h PHE 501 Ca 0.15 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hsn h PHE 501 Cb 0.10 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3hsn h PHE 501 CO -0.13 0.87 0.32 1.15 -2.23 0.00 0.00 178.31 178.29 3hsn h THR 502 N 0.78 1.10 -0.89 4.41 2.02 -0.92 -0.64 112.91 118.76 3hsn h THR 502 Ca 0.14 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3hsn h THR 502 Cb 0.54 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3hsn h THR 502 CO 0.03 0.12 0.59 -0.33 0.37 0.00 0.00 175.52 176.30 3hsn h GLU 503 N 0.65 1.09 -0.56 6.66 5.08 -0.99 -0.23 114.58 126.28 3hsn h GLU 503 Ca 0.19 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3hsn h GLU 503 Cb -0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3hsn h GLU 503 CO -0.06 0.72 -0.07 0.82 -1.00 0.00 0.00 179.01 179.41 3hsn h ILE 504 N 1.12 1.27 -0.12 3.13 2.04 -0.59 -1.29 117.51 123.06 3hsn h ILE 504 Ca 0.35 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3hsn h ILE 504 Cb 0.02 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3hsn h ILE 504 CO -0.11 0.44 0.05 0.00 0.00 0.00 0.00 178.15 178.53 3hsn h ILE 506 N 0.06 0.48 0.00 0.00 2.04 -0.77 -1.27 117.51 118.05 3hsn h ILE 506 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3hsn h ILE 506 Cb 0.15 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hsn h ILE 506 CO -0.00 0.00 0.00 0.06 0.00 0.00 0.00 178.15 178.21 3hsn h GLN 507 N -0.50 0.00 0.00 2.37 3.07 -1.26 0.14 115.11 118.93 3hsn h GLN 507 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hsn h GLN 507 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3hsn h GLN 507 CO -0.06 0.00 -0.60 0.94 0.09 0.00 0.00 178.83 179.20 3hsn n GLN 508 N -2.87 0.15 0.00 0.06 -0.06 -0.58 -4.96 117.38 109.12 3hsn n GLN 508 Ca -0.02 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 3hsn n GLN 508 Cb 0.07 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 3hsn n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hsn n GLY 509 N 1.42 1.27 3.59 1.69 0.00 0.47 -4.97 105.19 108.66 3hsn n GLY 509 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.56 3hsn n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3hsn n TRP 510 N 0.00 1.49 -2.97 1.61 -0.00 -0.62 -4.89 117.44 112.07 3hsn n TRP 510 Ca 0.00 0.63 -0.44 0.00 -0.00 0.00 0.00 57.50 57.69 3hsn n TRP 510 Cb 0.00 -2.33 -0.03 0.00 -0.00 0.00 0.00 31.31 28.95 3hsn n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3hsn s LYS 511 N 0.20 3.44 0.23 5.87 -0.14 -1.26 -4.48 119.74 123.60 3hsn s LYS 511 Ca 0.80 -1.59 -0.31 0.00 -1.36 0.00 0.00 55.97 53.51 3hsn s LYS 511 Cb -0.90 -4.67 -0.11 0.00 -1.68 0.00 0.00 37.83 30.48 3hsn s LYS 511 CO 0.48 -1.71 1.57 0.00 -0.76 0.00 0.00 175.35 174.93 3hsn s ALA 512 N 2.73 3.76 0.26 5.17 0.00 -1.26 -4.93 121.76 127.50 3hsn s ALA 512 Ca 0.27 1.46 0.25 0.00 0.00 0.00 0.00 51.96 53.93 3hsn s ALA 512 Cb -0.10 -3.63 1.13 0.00 0.00 0.00 0.00 23.12 20.53 3hsn s ALA 512 CO -0.04 -0.85 1.93 -1.35 0.00 0.00 0.00 175.76 175.44 3hsn h PRO 513 N 5.81 0.00 -5.63 0.00 0.11 -1.99 -3.48 132.00 126.82 3hsn h PRO 513 Ca -0.45 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.32 3hsn h PRO 513 Cb 1.21 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.48 3hsn h PRO 513 CO 0.85 0.19 -0.73 0.54 -0.21 0.00 0.00 178.00 178.65 3hsn n ARG 514 N -3.51 -6.88 -1.35 1.05 1.74 -1.26 -5.06 116.66 101.39 3hsn n ARG 514 Ca -0.01 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3hsn n ARG 514 Cb 0.35 -5.81 0.00 0.00 -1.02 0.00 0.00 32.46 25.98 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 -1.37 3.34 0.07 -0.13 0.00 -1.26 -5.07 105.19 100.77 3hsn n GLY 515 Ca -0.20 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.74 3hsn n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hsn n ARG 516 N -0.42 0.63 -2.75 1.61 0.63 -1.26 -4.39 116.66 110.71 3hsn n ARG 516 Ca 0.00 0.01 -0.13 0.00 -0.92 0.00 0.00 57.85 56.81 3hsn n ARG 516 Cb 0.00 -1.69 0.01 0.00 0.45 0.00 0.00 32.46 31.23 3hsn n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hsn n PHE 517 N -2.57 1.32 -2.80 -0.14 3.72 -1.26 -4.23 117.46 111.50 3hsn n PHE 517 Ca -0.06 -3.07 -0.43 0.00 -0.05 0.00 0.00 57.45 53.84 3hsn n PHE 517 Cb 0.66 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 -3.04 6.61 -0.01 4.37 1.01 -1.26 -4.93 116.67 119.41 3hsn s ASP 518 Ca 0.33 0.41 -0.31 0.00 0.71 0.00 0.00 52.55 53.68 3hsn s ASP 518 Cb 0.42 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.79 3hsn s ASP 518 CO -0.02 -0.95 1.95 0.52 0.21 0.00 0.00 175.17 176.89 3hsn n VAL 519 N 6.18 0.71 -1.58 -1.27 0.31 -1.26 -0.95 118.33 120.47 3hsn n VAL 519 Ca 0.07 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 3hsn n VAL 519 Cb 0.48 -2.17 0.08 0.00 -0.91 0.00 0.00 33.84 31.32 3hsn n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hsn s LEU 520 N 4.37 3.39 0.60 7.52 1.43 0.80 -4.89 118.68 131.90 3hsn s LEU 520 Ca 0.90 2.33 -0.10 0.00 -1.03 0.00 0.00 54.13 56.24 3hsn s LEU 520 Cb -0.52 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.07 3hsn s LEU 520 CO 0.45 -2.07 0.99 -2.16 0.23 0.00 0.00 176.35 173.80 3hsn s PRO 521 N -3.81 3.56 0.15 1.29 0.04 -1.26 -4.80 135.00 130.17 3hsn s PRO 521 Ca 0.74 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 3hsn s PRO 521 Cb -0.29 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3hsn s PRO 521 CO 0.43 -0.53 0.85 -0.51 0.04 0.00 0.00 177.00 177.28 3hsn s LEU 522 N -5.11 4.56 -0.29 -3.56 1.43 0.12 -4.91 118.68 110.92 3hsn s LEU 522 Ca 0.54 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 3hsn s LEU 522 Cb -0.11 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.78 3hsn s LEU 522 CO 0.52 0.10 -0.02 -0.22 0.23 0.00 0.00 176.35 176.97 3hsn s LEU 523 N -0.70 3.73 -0.08 1.79 2.96 -1.26 -1.20 118.68 123.93 3hsn s LEU 523 Ca 0.40 -1.69 0.03 0.00 -0.22 0.00 0.00 54.13 52.65 3hsn s LEU 523 Cb -0.23 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3hsn s LEU 523 CO 0.28 -0.30 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.07 3hsn s LEU 524 N 1.11 2.50 -0.23 -0.68 1.43 -0.12 -1.20 118.68 121.50 3hsn s LEU 524 Ca 0.01 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3hsn s LEU 524 Cb -0.19 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hsn s LEU 524 CO -0.08 0.25 -0.09 -1.58 0.23 0.00 0.00 176.35 175.08 3hsn s GLN 525 N -0.18 2.98 -0.14 1.70 0.74 -0.17 -0.45 119.66 124.14 3hsn s GLN 525 Ca -0.01 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.48 3hsn s GLN 525 Cb -0.13 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 3hsn s GLN 525 CO 0.03 -0.31 0.00 0.00 -0.55 0.00 0.00 175.29 174.46 3hsn s ALA 526 N 1.35 3.20 -1.65 1.58 0.00 -1.26 -1.07 121.76 123.90 3hsn s ALA 526 Ca 0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hsn s ALA 526 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3hsn s ALA 526 CO -0.06 0.32 0.19 -1.71 0.00 0.00 0.00 175.76 174.50 3hsn n ASN 527 N 3.12 -5.78 0.00 0.00 5.15 -1.24 -0.46 115.26 116.05 3hsn n ASN 527 Ca -0.18 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 3hsn n ASN 527 Cb 0.53 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 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 -1.15 0.88 3.78 8.20 0.00 -0.78 -4.41 105.19 111.70 3hsn n GLY 528 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.80 3.98 0.48 1.61 0.02 0.40 -4.88 114.94 113.75 3hsn s ASN 529 Ca 0.00 1.27 -0.24 0.00 -1.02 0.00 0.00 52.86 52.87 3hsn s ASN 529 Cb 0.00 -1.96 -0.07 0.00 0.02 0.00 0.00 41.25 39.25 3hsn s ASN 529 CO 0.00 -2.29 1.34 -1.81 0.02 0.00 0.00 177.10 174.36 3hsn s ASP 530 N -3.81 5.76 0.65 -1.22 1.01 -1.26 -4.47 116.67 113.34 3hsn s ASP 530 Ca 0.62 2.71 -0.13 0.00 0.71 0.00 0.00 52.55 56.46 3hsn s ASP 530 Cb -0.15 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 3hsn s ASP 530 CO 0.55 -1.23 1.06 -2.16 0.21 0.00 0.00 175.17 173.59 3hsn s PRO 531 N -2.63 3.08 0.11 8.23 0.04 -1.26 -4.74 135.00 137.83 3hsn s PRO 531 Ca 0.65 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.86 3hsn s PRO 531 Cb -0.39 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3hsn s PRO 531 CO 0.48 -0.99 -0.20 -1.21 0.04 0.00 0.00 177.00 175.12 3hsn s GLU 532 N -4.55 1.14 0.08 4.56 2.02 0.40 -4.84 118.70 117.51 3hsn s GLU 532 Ca 0.61 -1.20 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 3hsn s GLU 532 Cb -0.15 -1.37 -0.06 0.00 0.10 0.00 0.00 34.13 32.65 3hsn s GLU 532 CO 0.46 0.31 0.49 -0.51 0.02 0.00 0.00 175.26 176.03 3hsn s LEU 533 N -2.02 4.41 -0.12 1.80 1.43 -1.26 -0.95 118.68 121.97 3hsn s LEU 533 Ca 0.08 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 3hsn s LEU 533 Cb -0.09 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.19 3hsn s LEU 533 CO 0.05 0.20 0.34 -0.36 0.23 0.00 0.00 176.35 176.81 3hsn s PHE 534 N -1.29 -0.36 -0.27 0.29 0.08 -0.34 -4.99 117.98 111.10 3hsn s PHE 534 Ca 0.32 0.87 -0.11 0.00 0.12 0.00 0.00 56.93 58.13 3hsn s PHE 534 Cb -0.16 0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 3hsn s PHE 534 CO 0.17 -0.20 0.19 -1.14 -0.10 0.00 0.00 175.22 174.14 3hsn s GLN 535 N 0.06 3.99 0.20 0.44 0.74 -1.26 0.14 119.66 123.97 3hsn s GLN 535 Ca -0.01 -0.28 -0.32 0.00 0.05 0.00 0.00 55.36 54.79 3hsn s GLN 535 Cb -0.03 -3.62 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 3hsn s GLN 535 CO 0.01 -0.11 1.68 -0.89 -0.55 0.00 0.00 175.29 175.44 3hsn n ILE 536 N 4.81 0.06 -1.67 -2.34 5.41 -1.26 -4.81 119.36 119.56 3hsn n ILE 536 Ca -0.14 -0.01 -0.57 0.00 1.00 0.00 0.00 62.75 63.02 3hsn n ILE 536 Cb 0.52 -1.88 -0.07 0.00 -0.71 0.00 0.00 39.64 37.49 3hsn n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3hsn n PRO 537 N 3.75 1.06 -0.47 0.38 -0.02 -1.26 -4.75 135.00 133.69 3hsn n PRO 537 Ca 0.16 0.38 0.39 0.00 -2.02 0.00 0.00 63.50 62.40 3hsn n PRO 537 Cb 0.34 -2.10 0.67 0.00 -0.02 0.00 0.00 33.50 32.39 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 7.80 0.05 0.00 0.52 0.11 -1.96 0.31 132.00 138.83 3hsn h PRO 538 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hsn h PRO 538 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3hsn h PRO 538 CO 0.98 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 3hsn n GLU 539 N -4.67 0.14 0.02 1.05 0.00 -1.26 -2.35 120.64 113.56 3hsn n GLU 539 Ca 0.39 0.04 0.11 0.00 0.00 0.00 0.00 57.16 57.70 3hsn n GLU 539 Cb 1.51 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 31.52 3hsn n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hsn n LEU 540 N -1.43 0.64 -4.40 -1.84 4.77 0.11 -4.76 117.00 110.09 3hsn n LEU 540 Ca 0.09 -0.06 -0.45 0.00 -0.03 0.00 0.00 56.01 55.56 3hsn n LEU 540 Cb 0.28 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3hsn n LEU 540 CO 0.24 0.09 0.68 -0.69 -1.33 0.00 0.00 177.39 176.37 3hsn s VAL 541 N -3.12 4.89 -0.03 4.08 1.01 -0.99 -4.79 120.40 121.45 3hsn s VAL 541 Ca 0.06 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 3hsn s VAL 541 Cb 0.15 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3hsn s VAL 541 CO 0.78 -1.30 1.46 -0.22 0.00 0.00 0.00 175.10 175.82 3hsn s LEU 542 N 2.32 4.30 0.23 3.92 2.96 -1.26 -5.00 118.68 126.15 3hsn s LEU 542 Ca 0.22 2.11 0.10 0.00 -0.22 0.00 0.00 54.13 56.35 3hsn s LEU 542 Cb -0.13 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3hsn s LEU 542 CO -0.03 -0.79 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.42 3hsn s GLU 543 N 2.94 1.51 -0.12 1.98 2.02 -1.26 -0.71 118.70 125.05 3hsn s GLU 543 Ca 0.66 -1.64 -0.00 0.00 0.02 0.00 0.00 54.97 54.01 3hsn s GLU 543 Cb -0.31 -1.54 0.02 0.00 0.10 0.00 0.00 34.13 32.40 3hsn s GLU 543 CO 0.26 0.29 -0.10 0.08 0.02 0.00 0.00 175.26 175.81 3hsn s VAL 544 N -2.47 1.19 0.26 2.63 1.01 0.13 -4.88 120.40 118.27 3hsn s VAL 544 Ca 0.25 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3hsn s VAL 544 Cb -0.04 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 3hsn s VAL 544 CO 0.11 0.39 1.12 -2.16 0.00 0.00 0.00 175.10 174.57 3hsn s PRO 545 N 1.58 4.60 -0.29 2.72 0.04 -1.26 -1.60 135.00 140.79 3hsn s PRO 545 Ca 0.04 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 3hsn s PRO 545 Cb -0.13 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 3hsn s PRO 545 CO -0.08 0.14 0.25 0.42 0.04 0.00 0.00 177.00 177.77 3hsn s ILE 546 N -0.95 5.26 0.29 0.56 -1.09 -0.08 -4.85 121.20 120.34 3hsn s ILE 546 Ca 0.46 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 3hsn s ILE 546 Cb -0.32 -3.61 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 3hsn s ILE 546 CO 0.41 0.18 0.07 0.00 -1.23 0.00 0.00 174.94 174.37 3hsn s ARG 547 N 1.85 1.54 -0.03 2.79 3.03 -1.26 -4.07 118.95 122.80 3hsn s ARG 547 Ca 0.09 -1.84 0.07 0.00 2.03 0.00 0.00 55.73 56.08 3hsn s ARG 547 Cb -0.16 -0.59 -0.01 0.00 -1.03 0.00 0.00 34.95 33.15 3hsn s ARG 547 CO 0.11 -0.23 -0.23 -1.58 -1.13 0.00 0.00 175.30 172.24 3hsn s HIS 548 N -3.50 2.10 0.25 5.89 2.46 -1.26 -4.32 115.29 116.91 3hsn s HIS 548 Ca 0.37 -0.47 0.33 0.00 0.47 0.00 0.00 55.06 55.77 3hsn s HIS 548 Cb 0.08 -1.37 1.50 0.00 -0.13 0.00 0.00 32.58 32.67 3hsn s HIS 548 CO 0.14 -0.09 2.04 -1.00 -2.47 0.00 0.00 174.74 173.37 3hsn h PRO 549 N 5.74 0.00 0.00 2.88 0.13 -1.92 -3.33 132.00 135.49 3hsn h PRO 549 Ca -0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.54 3hsn h PRO 549 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3hsn h PRO 549 CO 0.47 0.05 -1.74 1.17 -0.23 0.00 0.00 178.00 177.72 3hsn n LYS 550 N -3.21 0.31 -2.94 0.86 4.81 -1.26 -4.93 118.16 111.80 3hsn n LYS 550 Ca -0.00 0.09 -0.43 0.00 -0.87 0.00 0.00 58.31 57.10 3hsn n LYS 550 Cb 0.27 -1.16 -0.05 0.00 0.02 0.00 0.00 35.03 34.12 3hsn n LYS 550 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3hsn s PHE 551 N -2.25 2.88 0.23 5.64 0.08 -1.25 -4.92 117.98 118.38 3hsn s PHE 551 Ca -0.18 -0.14 0.27 0.00 0.12 0.00 0.00 56.93 56.99 3hsn s PHE 551 Cb 0.06 -3.89 1.17 0.00 -0.57 0.00 0.00 43.02 39.78 3hsn s PHE 551 CO 0.28 -1.23 1.93 0.22 -0.10 0.00 0.00 175.22 176.31 3hsn h ASP 552 N 9.20 0.00 0.90 1.36 3.58 -1.92 -2.53 116.42 127.01 3hsn h ASP 552 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3hsn h ASP 552 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 3hsn h ASP 552 CO 1.04 0.16 0.00 4.11 -2.88 0.00 0.00 179.24 181.68 3hsn h TRP 553 N 0.00 0.00 -0.76 0.28 5.08 -1.95 -3.32 115.95 115.29 3hsn h TRP 553 Ca -0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 3hsn h TRP 553 Cb 0.58 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.70 3hsn h TRP 553 CO 0.00 0.00 0.49 0.35 -1.28 0.00 0.00 178.44 178.00 3hsn h PHE 554 N 0.00 0.92 -0.10 0.12 3.04 -1.82 -1.24 116.94 117.85 3hsn h PHE 554 Ca 0.00 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 3hsn h PHE 554 Cb 0.45 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 3hsn h PHE 554 CO 0.00 0.54 0.12 1.57 -2.02 0.00 0.00 178.31 178.52 3hsn h LYS 555 N 0.96 0.00 0.00 1.11 2.10 -1.71 -1.16 116.57 117.88 3hsn h LYS 555 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 3hsn h LYS 555 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3hsn h LYS 555 CO -0.10 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.10 3hsn n ASP 556 N -3.84 0.31 0.32 7.07 8.00 -0.47 -2.09 116.55 125.84 3hsn n ASP 556 Ca -0.00 0.55 0.20 0.00 0.71 0.00 0.00 54.79 56.25 3hsn n ASP 556 Cb 0.22 -0.62 1.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.00 0.00 0.86 0.64 3.38 -1.28 -3.46 115.31 115.45 3hsn h LEU 557 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3hsn h LEU 557 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hsn h LEU 557 CO 0.00 0.01 -0.16 0.61 0.09 0.00 0.00 178.44 178.99 3hsn n GLY 558 N -0.80 0.16 3.80 0.83 0.00 -0.89 -5.01 105.19 103.28 3hsn n GLY 558 Ca -0.02 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.79 4.53 0.14 0.99 1.43 -1.26 -5.02 118.68 117.69 3hsn s LEU 559 Ca 0.00 1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3hsn s LEU 559 Cb 0.00 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 3hsn s LEU 559 CO 0.00 0.24 0.12 -1.59 0.23 0.00 0.00 176.35 175.36 3hsn s LYS 560 N -1.19 0.98 0.13 1.70 -2.85 -1.26 -0.90 119.74 116.35 3hsn s LYS 560 Ca 0.31 -1.35 -0.06 0.00 -1.00 0.00 0.00 55.97 53.87 3hsn s LYS 560 Cb -0.20 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 3hsn s LYS 560 CO 0.21 -0.30 0.19 -0.46 0.10 0.00 0.00 175.35 175.08 3hsn s TRP 561 N -4.02 0.47 0.21 1.78 -0.11 -0.63 -4.95 118.94 111.70 3hsn s TRP 561 Ca 0.21 -0.87 -0.06 0.00 1.22 0.00 0.00 56.10 56.60 3hsn s TRP 561 Cb 0.06 -0.19 -0.06 0.00 -1.50 0.00 0.00 33.47 31.79 3hsn s TRP 561 CO 0.01 -0.61 0.48 1.52 -4.62 0.00 0.00 176.95 173.72 3hsn s TYR 562 N -3.96 3.46 -0.38 5.86 -0.85 -1.26 0.19 117.35 120.41 3hsn s TYR 562 Ca 0.16 0.67 0.22 0.00 -0.52 0.00 0.00 57.07 57.60 3hsn s TYR 562 Cb 0.05 -2.11 0.27 0.00 0.38 0.00 0.00 41.96 40.55 3hsn s TYR 562 CO -0.02 0.31 1.54 0.78 -1.52 0.00 0.00 175.55 176.63 3hsn h GLY 563 N 2.40 0.00 -7.58 5.49 0.00 -1.26 -3.45 103.07 98.67 3hsn h GLY 563 Ca -0.47 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.17 3hsn h GLY 563 CO 0.70 0.00 -0.60 -2.27 0.00 0.00 0.00 176.54 174.37 3hsn s LEU 564 N -6.19 4.83 -0.31 3.11 2.96 -1.26 -4.58 118.68 117.24 3hsn s LEU 564 Ca 0.06 -1.77 -0.27 0.00 -0.22 0.00 0.00 54.13 51.93 3hsn s LEU 564 Cb 0.06 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3hsn s LEU 564 CO 0.69 -0.45 0.96 -2.16 -1.32 0.00 0.00 176.35 174.07 3hsn s PRO 565 N 1.18 4.03 -0.44 0.98 0.04 -1.26 -4.68 135.00 134.84 3hsn s PRO 565 Ca 0.04 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.00 3hsn s PRO 565 Cb -0.22 -3.73 0.16 0.00 0.04 0.00 0.00 34.50 30.75 3hsn s PRO 565 CO -0.03 -0.81 0.33 0.00 0.04 0.00 0.00 177.00 176.53 3hsn s ALA 566 N 3.37 1.71 0.13 8.56 0.00 -1.26 -3.29 121.76 130.98 3hsn s ALA 566 Ca 0.40 -2.55 -0.33 0.00 0.00 0.00 0.00 51.96 49.49 3hsn s ALA 566 Cb -0.13 -1.70 -0.13 0.00 0.00 0.00 0.00 23.12 21.17 3hsn s ALA 566 CO 0.14 -2.02 1.70 0.28 0.00 0.00 0.00 175.76 175.86 3hsn n VAL 567 N 3.00 0.15 -0.45 0.00 0.31 -0.80 -1.22 118.33 119.32 3hsn n VAL 567 Ca 0.23 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3hsn n VAL 567 Cb 0.43 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 4.41 0.79 -0.75 4.52 3.41 -0.44 -1.75 113.62 123.81 3hsn n SER 568 Ca 0.18 -1.24 0.07 0.00 -0.26 0.00 0.00 58.87 57.62 3hsn n SER 568 Cb 0.32 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.12 2.87 -4.98 4.04 6.94 -1.23 -4.44 115.26 118.34 3hsn n ASN 569 Ca 0.00 -1.86 -0.20 0.00 -0.02 0.00 0.00 54.58 52.50 3hsn n ASN 569 Cb 0.22 -0.20 0.03 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.08 2.60 -0.12 -3.83 -1.94 -1.26 -4.36 119.30 109.30 3hsn s MET 570 Ca 0.26 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 3hsn s MET 570 Cb 0.15 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.45 3hsn s MET 570 CO 0.20 -0.63 -0.22 -1.17 -0.01 0.00 0.00 175.02 173.19 3hsn s LEU 571 N -4.68 2.14 -0.30 -0.03 0.20 0.06 -4.37 118.68 111.69 3hsn s LEU 571 Ca 0.57 -0.56 -0.16 0.00 0.69 0.00 0.00 54.13 54.66 3hsn s LEU 571 Cb -0.10 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 3hsn s LEU 571 CO 0.37 0.13 0.44 -0.22 -0.29 0.00 0.00 176.35 176.78 3hsn s LEU 572 N 0.53 4.20 -0.26 -0.68 2.96 -0.21 -0.27 118.68 124.94 3hsn s LEU 572 Ca -0.14 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3hsn s LEU 572 Cb -0.17 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 3hsn s LEU 572 CO 0.05 -0.31 0.17 -0.70 -1.32 0.00 0.00 176.35 174.23 3hsn s GLU 573 N 2.20 3.95 -0.10 1.98 2.12 0.27 -0.61 118.70 128.50 3hsn s GLU 573 Ca 0.17 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 3hsn s GLU 573 Cb -0.16 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.67 3hsn s GLU 573 CO 0.11 -0.11 -0.06 0.42 -0.54 0.00 0.00 175.26 175.07 3hsn s ILE 574 N 1.54 0.89 -1.39 -3.70 1.01 -0.77 -1.63 121.20 117.15 3hsn s ILE 574 Ca 0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 3hsn s ILE 574 Cb -0.15 -0.92 0.05 0.00 0.01 0.00 0.00 42.46 41.45 3hsn s ILE 574 CO 0.08 0.34 0.57 0.61 0.00 0.00 0.00 174.94 176.54 3hsn n GLY 575 N 4.80 -0.50 2.64 6.18 0.00 -1.26 -0.46 105.19 116.59 3hsn n GLY 575 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.33 2.89 3.79 -0.02 0.00 -1.26 -3.33 105.19 105.93 3hsn n GLY 576 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 4.11 -0.20 0.99 1.43 0.39 -4.94 118.68 120.47 3hsn s LEU 577 Ca 0.00 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 3hsn s LEU 577 Cb 0.00 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 42.00 3hsn s LEU 577 CO 0.00 -0.43 -0.17 -1.61 0.23 0.00 0.00 176.35 174.36 3hsn s GLU 578 N -2.61 2.76 -0.56 1.70 2.02 -1.26 -1.85 118.70 118.90 3hsn s GLU 578 Ca 0.58 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 54.55 3hsn s GLU 578 Cb -0.19 -2.63 0.15 0.00 0.10 0.00 0.00 34.13 31.56 3hsn s GLU 578 CO 0.24 -0.30 0.43 -0.06 0.02 0.00 0.00 175.26 175.58 3hsn s PHE 579 N 1.25 3.49 -0.61 1.61 0.08 0.22 -0.22 117.98 123.80 3hsn s PHE 579 Ca 0.01 -2.16 0.25 0.00 0.12 0.00 0.00 56.93 55.15 3hsn s PHE 579 Cb -0.15 -3.45 0.86 0.00 -0.57 0.00 0.00 43.02 39.71 3hsn s PHE 579 CO -0.11 -0.95 1.76 0.66 -0.10 0.00 0.00 175.22 176.48 3hsn h SER 580 N 7.93 0.00 -3.48 1.36 4.64 -1.81 -0.54 113.55 121.65 3hsn h SER 580 Ca -0.10 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.64 3hsn h SER 580 Cb 1.03 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.73 3hsn h SER 580 CO 0.79 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.98 3hsn s ALA 581 N -3.20 1.66 -0.41 5.18 0.00 -1.20 -4.66 121.76 119.13 3hsn s ALA 581 Ca 0.08 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.91 3hsn s ALA 581 Cb 0.11 -1.39 0.35 0.00 0.00 0.00 0.00 23.12 22.19 3hsn s ALA 581 CO 0.53 -1.25 1.02 0.00 0.00 0.00 0.00 175.76 176.06 3hsn n PRO 583 N 0.17 2.59 -4.12 0.00 -0.04 -1.19 -4.70 135.00 127.71 3hsn n PRO 583 Ca 0.11 0.92 -0.15 0.00 -0.04 0.00 0.00 63.50 64.34 3hsn n PRO 583 Cb 0.72 -2.66 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 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 -0.30 0.92 0.01 0.54 -0.12 -0.72 -1.80 117.98 116.51 3hsn s PHE 584 Ca 0.62 -0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 56.91 3hsn s PHE 584 Cb -0.51 -0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 41.34 3hsn s PHE 584 CO 0.53 -0.03 0.06 -1.54 -0.05 0.00 0.00 175.22 174.19 3hsn s SER 585 N -1.90 0.13 0.00 1.98 1.04 -0.08 -1.91 113.70 112.97 3hsn s SER 585 Ca -0.03 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3hsn s SER 585 Cb -0.08 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3hsn s SER 585 CO 0.01 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3hsn n GLY 586 N 1.45 3.27 3.34 7.32 0.00 -1.21 -1.92 105.19 117.46 3hsn n GLY 586 Ca -0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 2.87 0.37 0.36 1.61 -2.14 -1.26 -4.66 118.94 116.09 3hsn s TRP 587 Ca 0.00 -0.73 -0.25 0.00 2.66 0.00 0.00 56.10 57.77 3hsn s TRP 587 Cb 0.00 -0.04 -0.09 0.00 -3.10 0.00 0.00 33.47 30.24 3hsn s TRP 587 CO 0.00 -0.72 1.02 0.71 -2.66 0.00 0.00 176.95 175.30 3hsn s TYR 588 N -3.96 3.43 -0.05 1.66 2.02 -1.26 -4.90 117.35 114.29 3hsn s TYR 588 Ca 0.17 1.69 -0.17 0.00 -0.37 0.00 0.00 57.07 58.39 3hsn s TYR 588 Cb 0.03 -3.09 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 3hsn s TYR 588 CO -0.00 -0.38 0.45 1.41 -1.57 0.00 0.00 175.55 175.46 3hsn s MET 589 N -2.25 4.14 0.28 -0.62 -2.45 -1.26 -0.46 119.30 116.69 3hsn s MET 589 Ca 0.54 0.45 0.02 0.00 -1.25 0.00 0.00 55.69 55.45 3hsn s MET 589 Cb -0.22 -3.32 0.58 0.00 1.25 0.00 0.00 34.83 33.12 3hsn s MET 589 CO 0.28 0.45 1.82 0.78 1.05 0.00 0.00 175.02 179.41 3hsn h GLY 590 N 5.58 1.66 1.93 2.11 0.00 -0.91 -1.96 103.07 111.48 3hsn h GLY 590 Ca -0.47 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 3hsn h GLY 590 CO 0.68 0.12 -0.09 -0.91 0.00 0.00 0.00 176.54 176.34 3hsn h THR 591 N 0.95 1.11 -0.75 4.70 1.35 -1.94 -1.48 112.91 116.84 3hsn h THR 591 Ca 0.51 -0.48 0.17 0.00 -0.55 0.00 0.00 66.41 66.06 3hsn h THR 591 Cb 0.55 1.17 -0.11 0.00 -1.73 0.00 0.00 68.15 68.03 3hsn h THR 591 CO -0.29 0.14 0.18 -0.33 -0.25 0.00 0.00 175.52 174.98 3hsn h GLU 592 N 0.09 0.26 0.00 4.72 5.08 -1.76 0.30 114.58 123.26 3hsn h GLU 592 Ca 0.02 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3hsn h GLU 592 Cb 0.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hsn h GLU 592 CO 0.01 0.17 -0.94 0.82 -1.00 0.00 0.00 179.01 178.08 3hsn h ILE 593 N 0.27 0.79 -0.07 3.13 2.04 -1.57 -1.70 117.51 120.40 3hsn h ILE 593 Ca 0.43 -1.92 -0.12 0.00 1.00 0.00 0.00 64.86 64.25 3hsn h ILE 593 Cb 0.74 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3hsn h ILE 593 CO -0.52 0.27 -0.48 1.23 0.00 0.00 0.00 178.15 178.65 3hsn h GLY 594 N -1.00 0.20 0.00 5.37 0.00 -1.28 0.37 103.07 106.73 3hsn h GLY 594 Ca -0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3hsn h GLY 594 CO -0.14 0.19 -1.04 -0.62 0.00 0.00 0.00 176.54 174.92 3hsn n VAL 595 N -3.97 1.48 -0.02 4.60 0.31 0.04 -4.15 118.33 116.62 3hsn n VAL 595 Ca -0.02 0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 3hsn n VAL 595 Cb 0.52 -2.27 -0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -0.05 -0.59 5.55 2.47 -1.46 -1.95 114.38 117.35 3hsn h ARG 596 Ca -0.13 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3hsn h ARG 596 Cb 0.93 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.23 3hsn h ARG 596 CO -0.08 -0.03 0.27 -0.44 0.56 0.00 0.00 179.97 180.25 3hsn h ASP 597 N -0.78 0.75 0.31 7.04 3.32 -1.08 -2.35 116.42 123.64 3hsn h ASP 597 Ca -0.01 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.64 3hsn h ASP 597 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3hsn h ASP 597 CO 0.01 0.65 -1.73 1.88 -1.72 0.00 0.00 179.24 178.32 3hsn h TYR 598 N 0.83 0.45 0.00 4.55 0.05 -1.10 -2.35 116.97 119.40 3hsn h TYR 598 Ca 0.20 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3hsn h TYR 598 Cb 0.10 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3hsn h TYR 598 CO 0.01 1.50 -0.58 0.00 -1.05 0.00 0.00 178.16 178.04 3hsn n ASP 600 N -1.31 2.02 0.10 0.00 9.92 -0.89 -4.64 116.55 121.75 3hsn n ASP 600 Ca 0.01 1.14 0.07 0.00 -0.53 0.00 0.00 54.79 55.49 3hsn n ASP 600 Cb 0.14 -1.32 0.54 0.00 -0.64 0.00 0.00 41.12 39.84 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 3.71 0.24 -0.32 -2.24 2.35 -1.92 -1.39 115.58 116.00 3hsn h ASN 601 Ca -0.44 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3hsn h ASN 601 Cb 1.31 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3hsn h ASN 601 CO 0.72 0.17 0.00 -1.54 -1.65 0.00 0.00 177.43 175.13 3hsn n SER 602 N -4.50 2.17 0.00 5.81 3.41 -1.26 -4.58 113.62 114.67 3hsn n SER 602 Ca 0.02 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3hsn n SER 602 Cb 0.14 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.66 1.25 0.18 4.33 5.12 -0.55 -4.30 116.66 123.36 3hsn n ARG 603 Ca 0.16 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.21 3hsn n ARG 603 Cb 0.37 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 32.22 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 -6.42 -1.55 -1.99 -1.58 -3.42 116.97 102.01 3hsn h TYR 604 Ca 0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 3hsn h TYR 604 Cb 0.00 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.77 3hsn h TYR 604 CO 0.00 0.00 -0.95 -1.71 -0.00 0.00 0.00 178.16 175.50 3hsn n ASN 605 N -2.57 -4.19 -0.59 3.88 5.15 -0.39 -4.89 115.26 111.67 3hsn n ASN 605 Ca 0.02 -1.08 0.12 0.00 -0.60 0.00 0.00 54.58 53.04 3hsn n ASN 605 Cb 0.28 -2.96 0.07 0.00 -0.53 0.00 0.00 39.78 36.64 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 -4.40 0.00 -0.14 -1.44 -5.35 -0.41 -4.65 119.36 102.97 3hsn n ILE 606 Ca -0.13 -0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 3hsn n ILE 606 Cb 0.60 1.22 0.04 0.00 -1.74 0.00 0.00 39.64 39.76 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 2.87 0.20 -0.58 7.28 3.38 -1.87 -2.03 115.31 124.56 3hsn h LEU 607 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hsn h LEU 607 Cb 0.79 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3hsn h LEU 607 CO 0.00 0.15 0.37 -0.08 0.09 0.00 0.00 178.44 178.97 3hsn h GLU 608 N 0.35 0.78 -0.65 1.13 4.81 -1.99 0.45 114.58 119.47 3hsn h GLU 608 Ca 0.20 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3hsn h GLU 608 Cb 0.17 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3hsn h GLU 608 CO -0.19 0.54 0.35 1.49 -0.73 0.00 0.00 179.01 180.47 3hsn h GLU 609 N 0.79 0.91 -0.34 1.92 4.81 -1.76 -0.79 114.58 120.11 3hsn h GLU 609 Ca 0.21 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3hsn h GLU 609 Cb -0.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3hsn h GLU 609 CO -0.04 0.69 -0.05 0.28 -0.73 0.00 0.00 179.01 179.16 3hsn h VAL 610 N 0.88 1.27 -0.88 0.32 2.07 -1.05 -2.74 116.25 116.12 3hsn h VAL 610 Ca 0.23 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3hsn h VAL 610 Cb 0.05 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3hsn h VAL 610 CO -0.04 0.35 0.50 0.00 0.02 0.00 0.00 177.57 178.41 3hsn h ALA 611 N 0.83 1.13 -0.55 1.67 0.00 -0.61 -1.86 119.26 119.86 3hsn h ALA 611 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hsn h ALA 611 Cb 0.54 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hsn h ALA 611 CO 0.03 0.62 0.36 0.87 0.00 0.00 0.00 179.25 181.13 3hsn h LYS 612 N 1.23 0.73 0.00 0.00 1.57 -1.07 -1.91 116.57 117.12 3hsn h LYS 612 Ca 0.31 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3hsn h LYS 612 Cb -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3hsn h LYS 612 CO -0.05 0.49 -0.06 0.87 -0.57 0.00 0.00 179.45 180.13 3hsn h LYS 613 N 0.75 0.00 -0.00 3.15 1.57 -1.09 -0.93 116.57 120.01 3hsn h LYS 613 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hsn h LYS 613 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hsn h LYS 613 CO -0.04 0.06 -0.30 -1.33 -0.57 0.00 0.00 179.45 177.27 3hsn n MET 614 N -3.24 0.47 -3.58 3.15 2.81 -0.76 -4.97 117.12 111.01 3hsn n MET 614 Ca -0.01 -0.25 -0.23 0.00 -1.81 0.00 0.00 57.70 55.41 3hsn n MET 614 Cb 0.27 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.05 -5.19 -4.86 7.83 2.03 -0.36 -5.00 116.55 109.96 3hsn n ASP 615 Ca 0.10 -0.58 -0.31 0.00 0.52 0.00 0.00 54.79 54.52 3hsn n ASP 615 Cb 0.33 -4.99 0.02 0.00 -0.72 0.00 0.00 41.12 35.76 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 -7.08 3.21 -0.55 -2.67 1.43 -1.06 -4.99 118.68 106.98 3hsn s LEU 616 Ca 0.44 1.46 -0.28 0.00 -1.03 0.00 0.00 54.13 54.71 3hsn s LEU 616 Cb -0.20 -4.47 0.03 0.00 0.03 0.00 0.00 46.19 41.58 3hsn s LEU 616 CO 0.74 -0.97 1.17 -0.62 0.23 0.00 0.00 176.35 176.89 3hsn s ASP 617 N -4.11 6.50 -0.22 2.29 2.15 -1.26 -4.86 116.67 117.17 3hsn s ASP 617 Ca 0.56 0.20 0.15 0.00 0.43 0.00 0.00 52.55 53.89 3hsn s ASP 617 Cb -0.12 -2.55 0.68 0.00 -0.30 0.00 0.00 42.92 40.64 3hsn s ASP 617 CO 0.54 -1.40 1.60 0.23 -0.17 0.00 0.00 175.17 175.97 3hsn n MET 618 N 8.22 3.89 0.13 4.34 2.81 -1.26 -4.36 117.12 130.88 3hsn n MET 618 Ca 0.09 -3.02 0.04 0.00 -1.81 0.00 0.00 57.70 53.00 3hsn n MET 618 Cb 0.49 -2.07 0.02 0.00 -0.71 0.00 0.00 33.22 30.95 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 2.87 0.00 -3.54 0.03 3.08 -2.04 -3.46 114.38 111.32 3hsn h ARG 619 Ca 0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 3hsn h ARG 619 Cb 1.75 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.51 3hsn h ARG 619 CO 0.38 0.38 -0.66 -1.59 -1.07 0.00 0.00 179.97 177.41 3hsn s LYS 620 N -3.01 0.05 0.50 0.04 -2.85 -1.26 -5.04 119.74 108.17 3hsn s LYS 620 Ca 0.03 0.14 0.16 0.00 -1.00 0.00 0.00 55.97 55.30 3hsn s LYS 620 Cb 0.08 -0.05 1.22 0.00 -2.06 0.00 0.00 37.83 37.01 3hsn s LYS 620 CO 0.75 -0.06 2.10 1.79 0.10 0.00 0.00 175.35 180.03 3hsn h THR 621 N 5.45 0.96 0.00 3.79 1.35 -1.92 -2.82 112.91 119.73 3hsn h THR 621 Ca -0.31 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3hsn h THR 621 Cb 1.18 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3hsn h THR 621 CO 0.47 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 3hsn n SER 622 N -4.50 0.00 0.05 5.36 3.41 -1.26 -0.91 113.62 115.77 3hsn n SER 622 Ca 0.01 -0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3hsn n SER 622 Cb 0.19 -0.27 0.44 0.00 -0.26 0.00 0.00 64.21 64.32 3hsn n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hsn n SER 623 N -1.27 0.33 -3.16 4.04 3.41 -1.06 -4.92 113.62 110.99 3hsn n SER 623 Ca 0.10 0.56 -0.23 0.00 -0.26 0.00 0.00 58.87 59.04 3hsn n SER 623 Cb 0.16 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.50 3hsn n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hsn n LEU 624 N -1.84 -2.41 -0.23 1.04 4.77 -0.09 -4.91 117.00 113.34 3hsn n LEU 624 Ca 0.04 -0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 55.68 3hsn n LEU 624 Cb 0.27 -2.74 0.20 0.00 -2.33 0.00 0.00 43.42 38.82 3hsn n LEU 624 CO 0.21 0.24 1.19 4.11 -1.33 0.00 0.00 177.39 181.80 3hsn h TRP 625 N -1.35 0.99 -0.80 -1.77 5.08 -1.83 -1.10 115.95 115.18 3hsn h TRP 625 Ca -0.51 -0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.47 3hsn h TRP 625 Cb 1.35 -0.33 -0.04 0.00 -3.00 0.00 0.00 29.16 27.14 3hsn h TRP 625 CO 0.57 0.67 0.53 0.87 -1.28 0.00 0.00 178.44 179.79 3hsn h LYS 626 N 1.04 1.04 -0.38 0.12 1.57 -1.90 -1.92 116.57 116.13 3hsn h LYS 626 Ca 0.27 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3hsn h LYS 626 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3hsn h LYS 626 CO -0.05 0.69 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.03 3hsn h ASP 627 N 1.07 0.71 -0.07 0.86 5.19 -1.81 -1.76 116.42 120.61 3hsn h ASP 627 Ca 0.29 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3hsn h ASP 627 Cb -0.11 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.21 3hsn h ASP 627 CO -0.07 0.88 0.02 1.56 -3.12 0.00 0.00 179.24 178.51 3hsn h GLN 628 N 0.52 0.11 -0.98 3.56 4.20 -1.11 -2.57 115.11 118.84 3hsn h GLN 628 Ca 0.10 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.86 3hsn h GLN 628 Cb 0.54 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.24 3hsn h GLN 628 CO 0.03 0.31 0.64 0.00 -0.67 0.00 0.00 178.83 179.13 3hsn h ALA 629 N 0.80 1.45 -0.23 3.87 0.00 -1.37 -2.70 119.26 121.08 3hsn h ALA 629 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hsn h ALA 629 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hsn h ALA 629 CO 0.00 0.39 0.12 1.25 0.00 0.00 0.00 179.25 181.01 3hsn h LEU 630 N 1.12 0.18 -0.80 0.00 5.85 -1.07 -1.14 115.31 119.45 3hsn h LEU 630 Ca 0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3hsn h LEU 630 Cb 0.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3hsn h LEU 630 CO -0.18 0.14 0.51 0.58 -0.34 0.00 0.00 178.44 179.15 3hsn h VAL 631 N 0.25 1.21 -0.60 1.05 2.07 -1.26 -2.03 116.25 116.93 3hsn h VAL 631 Ca 0.09 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3hsn h VAL 631 Cb 0.02 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3hsn h VAL 631 CO -0.06 0.21 0.03 -0.33 0.02 0.00 0.00 177.57 177.45 3hsn h GLU 632 N 1.09 1.03 -0.62 1.57 4.39 -1.13 0.17 114.58 121.07 3hsn h GLU 632 Ca 0.29 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3hsn h GLU 632 Cb -0.09 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 3hsn h GLU 632 CO -0.06 0.99 0.26 0.82 -1.16 0.00 0.00 179.01 179.86 3hsn h ILE 633 N 0.95 1.23 -0.11 3.13 2.04 -1.01 -1.59 117.51 122.15 3hsn h ILE 633 Ca 0.18 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.17 3hsn h ILE 633 Cb 0.51 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3hsn h ILE 633 CO 0.02 0.28 -0.61 0.78 0.00 0.00 0.00 178.15 178.62 3hsn h ASN 634 N 0.87 0.44 -0.52 1.72 2.35 -0.91 -1.96 115.58 117.56 3hsn h ASN 634 Ca 0.21 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3hsn h ASN 634 Cb 0.19 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3hsn h ASN 634 CO -0.02 0.94 0.29 0.40 -1.65 0.00 0.00 177.43 177.39 3hsn h ILE 635 N 0.28 1.01 -0.47 2.81 2.04 -0.55 -2.71 117.51 119.92 3hsn h ILE 635 Ca -0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3hsn h ILE 635 Cb 1.14 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3hsn h ILE 635 CO 0.10 0.10 0.31 0.00 0.00 0.00 0.00 178.15 178.67 3hsn h ALA 636 N 1.25 0.60 0.03 1.87 0.00 -1.05 -1.94 119.26 120.02 3hsn h ALA 636 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hsn h ALA 636 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hsn h ALA 636 CO -0.12 0.05 -0.09 0.28 0.00 0.00 0.00 179.25 179.37 3hsn h VAL 637 N 0.64 0.79 -0.49 0.00 2.07 -1.30 -0.52 116.25 117.43 3hsn h VAL 637 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3hsn h VAL 637 Cb -0.07 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3hsn h VAL 637 CO -0.04 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.73 3hsn h LEU 638 N -0.17 0.64 -0.60 2.57 3.38 -1.42 -2.33 115.31 117.39 3hsn h LEU 638 Ca 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3hsn h LEU 638 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hsn h LEU 638 CO -0.07 0.57 0.24 0.22 0.09 0.00 0.00 178.44 179.50 3hsn h TYR 639 N 0.66 0.90 -0.14 1.13 3.20 -1.20 -0.74 116.97 120.78 3hsn h TYR 639 Ca 0.17 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3hsn h TYR 639 Cb 0.10 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3hsn h TYR 639 CO -0.01 0.72 0.08 0.77 -1.64 0.00 0.00 178.16 178.07 3hsn h SER 640 N 0.82 0.17 -0.34 -2.11 0.02 -0.98 0.04 113.55 111.17 3hsn h SER 640 Ca 0.20 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3hsn h SER 640 Cb 0.20 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hsn h SER 640 CO -0.02 0.20 0.09 -0.26 -1.14 0.00 0.00 176.83 175.71 3hsn h PHE 641 N 0.13 0.56 -0.62 3.45 -1.00 -1.35 -2.64 116.94 115.46 3hsn h PHE 641 Ca 0.05 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 3hsn h PHE 641 Cb 0.07 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 3hsn h PHE 641 CO -0.04 0.57 0.23 1.96 -1.61 0.00 0.00 178.31 179.41 3hsn h GLN 642 N 0.40 0.92 0.00 1.51 4.20 -1.12 -0.07 115.11 120.95 3hsn h GLN 642 Ca 0.11 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3hsn h GLN 642 Cb 0.28 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hsn h GLN 642 CO -0.00 0.77 -0.42 0.77 -0.67 0.00 0.00 178.83 179.28 3hsn h SER 643 N 0.90 0.00 -0.19 1.46 0.02 -0.90 -2.32 113.55 112.52 3hsn h SER 643 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3hsn h SER 643 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3hsn h SER 643 CO -0.02 0.42 0.00 0.47 -1.14 0.00 0.00 176.83 176.56 3hsn n ASP 644 N -3.57 2.25 -3.54 3.07 8.00 -1.00 -4.97 116.55 116.78 3hsn n ASP 644 Ca -0.00 -1.78 -0.21 0.00 0.71 0.00 0.00 54.79 53.50 3hsn n ASP 644 Cb 0.53 -0.12 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.71 -7.34 -4.17 -1.24 5.02 -0.82 -5.00 118.16 105.33 3hsn n LYS 645 Ca 0.17 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.95 3hsn n LYS 645 Cb 0.43 -5.86 -0.14 0.00 -0.02 0.00 0.00 35.03 29.45 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 -3.34 3.43 0.16 -0.18 1.01 -0.10 -4.28 120.40 117.09 3hsn s VAL 646 Ca 0.34 -0.49 -0.34 0.00 0.00 0.00 0.00 61.98 61.49 3hsn s VAL 646 Cb -0.15 -2.53 -0.15 0.00 0.00 0.00 0.00 36.38 33.55 3hsn s VAL 646 CO 0.73 0.45 1.36 0.41 0.00 0.00 0.00 175.10 178.05 3hsn n THR 647 N 4.31 0.44 -3.62 3.92 -1.04 -0.46 -4.17 114.28 113.66 3hsn n THR 647 Ca -0.18 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.05 61.56 3hsn n THR 647 Cb 0.52 -1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 67.84 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 0.28 0.02 -0.06 12.58 2.07 -1.26 -4.37 121.20 130.45 3hsn s ILE 648 Ca 0.77 -0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.93 3hsn s ILE 648 Cb -0.80 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.91 3hsn s ILE 648 CO 0.47 -0.07 -0.22 0.54 -1.91 0.00 0.00 174.94 173.75 3hsn s VAL 649 N -0.93 2.32 0.69 4.00 0.11 0.39 -4.99 120.40 121.99 3hsn s VAL 649 Ca -0.10 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 57.87 3hsn s VAL 649 Cb -0.02 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 3hsn s VAL 649 CO 0.07 0.57 1.09 1.51 -3.33 0.00 0.00 175.10 175.00 3hsn s ASP 650 N -0.19 5.55 0.44 3.54 1.47 -1.26 -0.21 116.67 126.00 3hsn s ASP 650 Ca -0.02 1.17 0.24 0.00 1.18 0.00 0.00 52.55 55.11 3hsn s ASP 650 Cb -0.13 -2.00 0.91 0.00 -0.34 0.00 0.00 42.92 41.35 3hsn s ASP 650 CO 0.03 -1.28 1.82 1.12 0.68 0.00 0.00 175.17 177.55 3hsn h HIS 651 N -0.61 0.00 0.18 2.11 2.07 -1.98 -1.45 115.15 115.47 3hsn h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3hsn h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3hsn h HIS 651 CO 0.52 0.23 -0.09 0.45 -3.07 0.00 0.00 177.93 175.98 3hsn h HIS 652 N 0.00 -0.23 -0.78 6.12 3.86 -1.95 -2.55 115.15 119.61 3hsn h HIS 652 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3hsn h HIS 652 Cb 0.75 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 3hsn h HIS 652 CO 0.00 0.18 0.50 1.03 0.86 0.00 0.00 177.93 180.50 3hsn h SER 653 N -0.77 0.82 -0.27 2.45 0.87 -1.94 -1.97 113.55 112.74 3hsn h SER 653 Ca -0.03 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 3hsn h SER 653 Cb 0.51 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3hsn h SER 653 CO 0.04 0.56 -0.39 0.00 -0.53 0.00 0.00 176.83 176.52 3hsn h ALA 654 N 1.33 0.67 -0.08 6.23 0.00 -1.32 -2.17 119.26 123.92 3hsn h ALA 654 Ca 0.32 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 3hsn h ALA 654 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hsn h ALA 654 CO -0.12 0.67 -0.77 1.79 0.00 0.00 0.00 179.25 180.82 3hsn h THR 655 N 0.67 1.36 -0.71 0.00 1.35 -1.37 -1.75 112.91 112.46 3hsn h THR 655 Ca 0.06 -2.16 -0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3hsn h THR 655 Cb 0.95 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 3hsn h THR 655 CO 0.09 0.65 0.43 -0.08 -0.25 0.00 0.00 175.52 176.36 3hsn h GLU 656 N 0.32 0.96 -0.72 4.72 4.81 -1.32 -1.37 114.58 121.98 3hsn h GLU 656 Ca -0.04 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3hsn h GLU 656 Cb 1.37 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3hsn h GLU 656 CO 0.14 0.68 0.23 0.77 -0.73 0.00 0.00 179.01 180.10 3hsn h SER 657 N 0.97 1.03 -0.55 1.04 0.02 -1.22 -2.44 113.55 112.39 3hsn h SER 657 Ca 0.25 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3hsn h SER 657 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3hsn h SER 657 CO -0.05 0.95 0.06 0.15 -1.14 0.00 0.00 176.83 176.80 3hsn h PHE 658 N 1.06 1.00 -0.56 3.45 3.57 -0.91 0.24 116.94 124.79 3hsn h PHE 658 Ca 0.23 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3hsn h PHE 658 Cb 0.29 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3hsn h PHE 658 CO 0.02 0.89 0.35 0.82 -2.23 0.00 0.00 178.31 178.17 3hsn h ILE 659 N 0.82 1.10 -0.76 1.41 1.08 -1.09 0.19 117.51 120.26 3hsn h ILE 659 Ca 0.16 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3hsn h ILE 659 Cb 0.45 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3hsn h ILE 659 CO 0.02 0.13 0.50 0.50 -0.69 0.00 0.00 178.15 178.61 3hsn h LYS 660 N 0.71 0.99 -0.38 2.37 3.64 -1.19 -2.12 116.57 120.60 3hsn h LYS 660 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hsn h LYS 660 Cb -0.03 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3hsn h LYS 660 CO -0.07 0.66 0.24 1.25 -2.27 0.00 0.00 179.45 179.25 3hsn h HIS 661 N 1.02 0.48 -0.26 1.91 2.76 -0.23 -1.39 115.15 119.45 3hsn h HIS 661 Ca 0.28 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.51 3hsn h HIS 661 Cb -0.11 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 28.64 3hsn h HIS 661 CO -0.02 0.33 -0.10 0.52 -1.30 0.00 0.00 177.93 177.36 3hsn h MET 662 N 0.50 -0.05 -0.56 5.26 2.86 -0.42 -0.06 114.93 122.46 3hsn h MET 662 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hsn h MET 662 Cb -0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3hsn h MET 662 CO -0.03 -0.04 0.36 0.93 1.06 0.00 0.00 176.91 179.20 3hsn h GLU 663 N -0.06 0.75 -0.27 1.72 5.08 -1.19 0.24 114.58 120.85 3hsn h GLU 663 Ca 0.13 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3hsn h GLU 663 Cb 0.26 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3hsn h GLU 663 CO -0.30 0.51 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.18 3hsn h ASN 664 N 0.76 -0.43 -0.62 1.42 2.35 -0.89 -1.12 115.58 117.06 3hsn h ASN 664 Ca 0.21 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3hsn h ASN 664 Cb -0.07 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3hsn h ASN 664 CO -0.04 -0.16 0.13 -0.33 -1.65 0.00 0.00 177.43 175.38 3hsn h GLU 665 N -0.09 1.01 -0.62 0.81 4.39 -0.44 0.53 114.58 120.17 3hsn h GLU 665 Ca 0.14 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3hsn h GLU 665 Cb 0.30 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3hsn h GLU 665 CO -0.33 0.93 0.38 1.88 -1.16 0.00 0.00 179.01 180.71 3hsn h TYR 666 N 0.92 0.82 -0.22 4.33 -1.99 -0.39 0.24 116.97 120.68 3hsn h TYR 666 Ca 0.19 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 3hsn h TYR 666 Cb 0.39 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 3hsn h TYR 666 CO 0.03 0.55 -0.02 -0.09 -0.00 0.00 0.00 178.16 178.63 3hsn h ARG 667 N 0.84 0.40 0.00 4.88 2.43 -0.78 -2.21 114.38 119.95 3hsn h ARG 667 Ca 0.22 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3hsn h ARG 667 Cb -0.03 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3hsn h ARG 667 CO -0.04 0.61 -1.37 0.00 -1.51 0.00 0.00 179.97 177.66 3hsn n ARG 669 N -2.11 3.52 -0.70 0.00 0.63 0.79 -5.03 116.66 113.76 3hsn n ARG 669 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hsn n ARG 669 Cb 0.49 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.00 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 0.74 0.69 0.00 5.14 0.00 -0.81 -4.67 105.19 106.28 3hsn n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.55 0.01 2.98 -0.02 0.00 -1.14 -1.01 105.19 103.47 3hsn n GLY 671 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 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 2.64 4.25 -0.06 0.00 0.04 -1.26 -4.65 135.00 135.96 3hsn s PRO 673 Ca 0.14 2.24 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 3hsn s PRO 673 Cb -0.15 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.15 3hsn s PRO 673 CO -0.20 -0.57 0.15 0.00 0.04 0.00 0.00 177.00 176.43 3hsn s ALA 674 N 1.41 -0.32 -0.48 8.56 0.00 -0.55 -4.22 121.76 126.17 3hsn s ALA 674 Ca 0.68 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 3hsn s ALA 674 Cb -0.40 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.44 3hsn s ALA 674 CO 0.31 -0.12 0.42 0.34 0.00 0.00 0.00 175.76 176.71 3hsn s ASP 675 N 0.65 6.16 0.27 0.00 -1.08 0.66 -3.06 116.67 120.26 3hsn s ASP 675 Ca -0.05 -1.35 -0.04 0.00 -0.52 0.00 0.00 52.55 50.59 3hsn s ASP 675 Cb -0.06 -2.19 0.33 0.00 -1.46 0.00 0.00 42.92 39.53 3hsn s ASP 675 CO -0.03 -0.68 1.90 -0.25 0.52 0.00 0.00 175.17 176.63 3hsn h TRP 676 N 8.78 1.11 -0.74 -5.34 7.01 -1.92 0.25 115.95 125.11 3hsn h TRP 676 Ca -0.29 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 60.76 3hsn h TRP 676 Cb 1.11 -0.36 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 3hsn h TRP 676 CO 0.65 0.76 0.49 0.28 -2.79 0.00 0.00 178.44 177.83 3hsn h VAL 677 N 1.15 1.04 0.03 2.65 2.07 -1.93 -1.77 116.25 119.50 3hsn h VAL 677 Ca 0.30 -0.27 -0.30 0.00 0.82 0.00 0.00 66.70 67.24 3hsn h VAL 677 Cb -0.01 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 3hsn h VAL 677 CO -0.05 0.15 -1.73 -0.50 0.02 0.00 0.00 177.57 175.45 3hsn h TRP 678 N 0.80 0.11 -0.04 1.57 4.06 -1.76 -3.41 115.95 117.29 3hsn h TRP 678 Ca 0.31 -0.08 -0.23 0.00 2.06 0.00 0.00 58.89 60.95 3hsn h TRP 678 Cb 0.22 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3hsn h TRP 678 CO -0.00 1.17 -0.92 0.82 -3.56 0.00 0.00 178.44 175.95 3hsn h ILE 679 N 0.02 1.34 -2.66 1.49 1.08 -0.56 -3.43 117.51 114.79 3hsn h ILE 679 Ca -0.30 -2.26 -0.55 0.00 -0.39 0.00 0.00 64.86 61.36 3hsn h ILE 679 Cb 2.01 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 38.04 3hsn h ILE 679 CO 0.09 0.69 1.04 -0.69 -0.69 0.00 0.00 178.15 178.59 3hsn s VAL 680 N -3.41 3.56 0.82 1.67 1.01 -0.70 -4.95 120.40 118.40 3hsn s VAL 680 Ca -0.08 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 3hsn s VAL 680 Cb 0.08 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 33.05 3hsn s VAL 680 CO 0.89 -0.05 1.06 -2.65 0.00 0.00 0.00 175.10 174.35 3hsn n PRO 681 N 6.76 0.13 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.44 3hsn n PRO 681 Ca 0.17 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 3hsn n PRO 681 Cb 0.43 -2.32 0.30 0.00 -0.02 0.00 0.00 33.50 31.89 3hsn n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hsn n PRO 682 N -2.92 0.88 -3.94 0.52 -0.04 -1.26 -4.35 135.00 123.90 3hsn n PRO 682 Ca 0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 3hsn n PRO 682 Cb 0.51 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 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 -2.00 0.61 -1.12 0.54 0.23 -1.26 -4.93 119.30 111.37 3hsn s MET 683 Ca 0.15 -0.82 -0.05 0.00 -1.03 0.00 0.00 55.69 53.94 3hsn s MET 683 Cb 0.07 0.23 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 3hsn s MET 683 CO 0.12 -0.15 0.28 0.43 -2.03 0.00 0.00 175.02 173.67 3hsn n SER 684 N 0.64 -3.62 -0.27 -1.18 7.64 -1.26 -4.86 113.62 110.71 3hsn n SER 684 Ca -0.18 -0.12 -0.02 0.00 1.01 0.00 0.00 58.87 59.55 3hsn n SER 684 Cb 0.59 -3.04 0.03 0.00 -1.01 0.00 0.00 64.21 60.79 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 -0.56 0.08 1.77 0.23 0.00 -1.92 -2.29 103.07 100.38 3hsn h GLY 685 Ca -0.35 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hsn h GLY 685 CO 0.43 -0.23 -0.00 -1.14 0.00 0.00 0.00 176.54 175.60 3hsn n SER 686 N -5.46 0.01 -1.14 0.19 3.41 -1.26 -2.16 113.62 107.20 3hsn n SER 686 Ca 0.07 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 3hsn n SER 686 Cb 0.38 -0.39 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.39 1.09 -4.19 -1.33 -5.35 -0.86 -4.82 119.36 102.50 3hsn n ILE 687 Ca 0.11 -0.80 -0.29 0.00 -0.27 0.00 0.00 62.75 61.49 3hsn n ILE 687 Cb 0.29 0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 38.26 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 -1.57 3.61 0.15 7.28 -4.23 -0.92 -5.03 115.64 114.94 3hsn s THR 688 Ca 0.37 -1.23 0.19 0.00 -1.18 0.00 0.00 61.69 59.84 3hsn s THR 688 Cb 0.22 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 71.47 3hsn s THR 688 CO 0.21 0.07 1.73 1.55 -0.54 0.00 0.00 174.62 177.63 3hsn h PRO 689 N 3.39 0.00 0.00 3.99 0.13 -1.88 -3.01 132.00 134.63 3hsn h PRO 689 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3hsn h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hsn h PRO 689 CO 0.55 0.37 -0.10 -0.39 -0.23 0.00 0.00 178.00 178.21 3hsn h VAL 690 N 0.00 0.74 -0.43 1.56 -1.51 -1.88 -2.30 116.25 112.43 3hsn h VAL 690 Ca -0.00 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3hsn h VAL 690 Cb 0.91 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 3hsn h VAL 690 CO 0.05 0.10 0.27 0.15 -1.23 0.00 0.00 177.57 176.90 3hsn h PHE 691 N 0.00 0.56 -0.04 5.19 3.04 -1.71 -2.28 116.94 121.70 3hsn h PHE 691 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hsn h PHE 691 Cb 0.22 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3hsn h PHE 691 CO 0.00 0.37 0.00 0.72 -2.02 0.00 0.00 178.31 177.38 3hsn n HIS 692 N -4.45 0.02 -3.55 0.41 -0.00 -0.87 -4.83 115.22 101.95 3hsn n HIS 692 Ca 0.03 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.72 57.36 3hsn n HIS 692 Cb 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.96 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 -1.98 3.90 0.45 -0.41 2.00 -0.86 -1.03 119.66 121.73 3hsn s GLN 693 Ca 0.35 -0.32 -0.23 0.00 -2.00 0.00 0.00 55.36 53.16 3hsn s GLN 693 Cb 0.21 -3.68 -0.07 0.00 0.80 0.00 0.00 33.01 30.26 3hsn s GLN 693 CO 0.32 -0.23 1.17 -1.21 -0.50 0.00 0.00 175.29 174.84 3hsn s GLU 694 N 1.80 3.78 0.04 1.67 2.02 -0.76 -4.99 118.70 122.27 3hsn s GLU 694 Ca 0.08 1.80 0.02 0.00 0.02 0.00 0.00 54.97 56.89 3hsn s GLU 694 Cb -0.16 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 3hsn s GLU 694 CO 0.11 -0.54 -0.08 -1.64 0.02 0.00 0.00 175.26 173.13 3hsn s MET 695 N -2.64 0.54 -0.18 1.61 -1.94 -1.26 -4.67 119.30 110.76 3hsn s MET 695 Ca 0.63 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.82 3hsn s MET 695 Cb -0.29 -0.31 -0.02 0.00 2.01 0.00 0.00 34.83 36.22 3hsn s MET 695 CO 0.36 0.05 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.86 3hsn s LEU 696 N -1.57 3.02 -0.24 -0.03 1.43 -1.26 -4.94 118.68 115.09 3hsn s LEU 696 Ca -0.10 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3hsn s LEU 696 Cb -0.10 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3hsn s LEU 696 CO 0.00 0.08 0.23 0.21 0.23 0.00 0.00 176.35 177.11 3hsn s ASN 697 N 0.86 6.19 0.23 2.29 2.47 -1.17 -1.47 114.94 124.33 3hsn s ASN 697 Ca -0.01 0.20 -0.12 0.00 0.42 0.00 0.00 52.86 53.35 3hsn s ASN 697 Cb -0.15 -2.14 -0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3hsn s ASN 697 CO 0.01 -0.00 0.45 -0.72 -3.72 0.00 0.00 177.10 173.12 3hsn s TYR 698 N 1.28 0.36 -0.29 0.43 1.13 -1.26 -4.97 117.35 114.02 3hsn s TYR 698 Ca 0.11 -0.71 -0.03 0.00 -1.41 0.00 0.00 57.07 55.02 3hsn s TYR 698 Cb -0.14 0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.91 3hsn s TYR 698 CO 0.06 -0.95 0.01 0.50 -2.51 0.00 0.00 175.55 172.67 3hsn s ARG 699 N -4.01 2.65 0.11 -3.49 3.52 -1.26 -4.85 118.95 111.62 3hsn s ARG 699 Ca 0.22 -1.12 0.04 0.00 -0.13 0.00 0.00 55.73 54.73 3hsn s ARG 699 Cb -0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3hsn s ARG 699 CO 0.07 -0.55 0.10 -0.51 -0.81 0.00 0.00 175.30 173.61 3hsn s LEU 700 N 1.33 3.83 0.21 -0.88 1.43 -1.26 -3.90 118.68 119.44 3hsn s LEU 700 Ca -0.02 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 3hsn s LEU 700 Cb -0.19 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3hsn s LEU 700 CO -0.01 0.14 0.04 0.42 0.23 0.00 0.00 176.35 177.17 3hsn s THR 701 N -1.51 3.82 0.70 5.49 -4.23 -1.26 -4.28 115.64 114.38 3hsn s THR 701 Ca 0.30 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3hsn s THR 701 Cb -0.12 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.75 3hsn s THR 701 CO 0.23 -0.21 0.97 -2.65 -0.54 0.00 0.00 174.62 172.41 3hsn n PRO 702 N -0.48 0.58 -3.82 3.99 -0.02 -1.26 -4.99 135.00 129.00 3hsn n PRO 702 Ca -0.08 0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3hsn n PRO 702 Cb 0.56 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 3hsn n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hsn s SER 703 N -1.57 0.00 -0.15 2.55 1.04 -0.65 -3.74 113.70 111.20 3hsn s SER 703 Ca 0.74 -0.38 -0.17 0.00 0.48 0.00 0.00 55.95 56.62 3hsn s SER 703 Cb -0.36 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 3hsn s SER 703 CO 0.49 -0.62 0.43 -0.36 0.98 0.00 0.00 173.24 174.16 3hsn s PHE 704 N -2.90 3.47 0.14 5.02 0.08 -1.26 -0.57 117.98 121.96 3hsn s PHE 704 Ca -0.02 0.78 0.09 0.00 0.12 0.00 0.00 56.93 57.89 3hsn s PHE 704 Cb 0.00 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3hsn s PHE 704 CO -0.06 0.13 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.77 3hsn s GLU 705 N 0.79 1.27 0.53 0.44 0.41 0.63 -4.94 118.70 117.84 3hsn s GLU 705 Ca 0.23 -1.32 -0.19 0.00 -0.41 0.00 0.00 54.97 53.28 3hsn s GLU 705 Cb -0.15 -1.51 -0.06 0.00 -1.78 0.00 0.00 34.13 30.63 3hsn s GLU 705 CO 0.08 0.34 1.07 0.71 -0.49 0.00 0.00 175.26 176.97 3hsn s TYR 706 N -1.49 2.87 0.05 1.61 2.02 -1.26 -0.76 117.35 120.39 3hsn s TYR 706 Ca 0.12 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.34 3hsn s TYR 706 Cb -0.08 -3.13 -0.02 0.00 -0.40 0.00 0.00 41.96 38.33 3hsn s TYR 706 CO 0.06 -1.16 0.06 1.14 -1.57 0.00 0.00 175.55 174.08 3hsn s GLN 707 N -3.47 0.62 0.60 -0.62 -2.07 -1.26 -4.80 119.66 108.66 3hsn s GLN 707 Ca 0.68 -0.95 -0.20 0.00 -1.82 0.00 0.00 55.36 53.07 3hsn s GLN 707 Cb -0.19 0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 31.94 3hsn s GLN 707 CO 0.27 -0.15 1.30 -2.14 -1.32 0.00 0.00 175.29 173.25 3hsn s PRO 708 N -3.24 2.86 0.34 9.60 0.02 -1.26 -4.95 135.00 138.36 3hsn s PRO 708 Ca 0.00 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.81 3hsn s PRO 708 Cb 0.03 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 3hsn s PRO 708 CO -0.08 -1.36 1.54 -0.25 -0.33 0.00 0.00 177.00 176.52 3hsn n ASP 709 N -1.52 3.82 0.26 2.53 8.00 -1.26 -4.90 116.55 123.48 3hsn n ASP 709 Ca 0.13 1.19 0.14 0.00 0.71 0.00 0.00 54.79 56.96 3hsn n ASP 709 Cb 0.47 -1.61 0.61 0.00 -0.02 0.00 0.00 41.12 40.58 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 3.85 0.00 0.00 -0.24 0.13 -1.92 -2.52 132.00 131.30 3hsn h PRO 710 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hsn h PRO 710 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hsn h PRO 710 CO 0.71 0.10 0.00 -2.67 -0.23 0.00 0.00 178.00 175.91 3hsn n TRP 711 N -3.26 0.47 0.31 1.56 2.14 -1.26 0.23 117.44 117.62 3hsn n TRP 711 Ca 0.00 0.18 0.12 0.00 2.07 0.00 0.00 57.50 59.87 3hsn n TRP 711 Cb 0.34 -0.79 0.12 0.00 -0.81 0.00 0.00 31.31 30.18 3hsn n TRP 711 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 3hsn h ASN 712 N 0.00 0.00 0.00 -0.67 2.35 -1.83 -3.39 115.58 112.04 3hsn h ASN 712 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3hsn h ASN 712 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3hsn h ASN 712 CO 0.00 0.03 0.00 0.35 -1.65 0.00 0.00 177.43 176.16 3hsn n THR 713 N -2.56 0.00 -2.24 2.81 -2.24 -0.84 -5.04 114.28 104.16 3hsn n THR 713 Ca 0.02 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 3hsn n THR 713 Cb 0.50 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.70 2.82 -0.75 4.78 5.04 0.13 -4.95 115.29 121.66 3hsn s HIS 714 Ca 0.00 0.83 -0.23 0.00 -1.54 0.00 0.00 55.06 54.12 3hsn s HIS 714 Cb 0.00 -3.65 0.07 0.00 0.04 0.00 0.00 32.58 29.05 3hsn s HIS 714 CO 0.00 -2.38 1.09 0.14 -2.34 0.00 0.00 174.74 171.25 3hsn s VAL 715 N 2.57 4.25 -0.40 0.89 -7.23 -1.26 -4.97 120.40 114.25 3hsn s VAL 715 Ca 0.63 -0.47 -0.27 0.00 -1.81 0.00 0.00 61.98 60.06 3hsn s VAL 715 Cb -0.30 -4.78 -0.06 0.00 0.56 0.00 0.00 36.38 31.80 3hsn s VAL 715 CO 0.25 -1.58 2.33 0.26 -0.31 0.00 0.00 175.10 176.05 3hsn s TRP 716 N 4.21 1.12 0.41 2.82 0.52 -1.26 -4.83 118.94 121.93 3hsn s TRP 716 Ca 0.28 1.21 0.07 0.00 0.02 0.00 0.00 56.10 57.69 3hsn s TRP 716 Cb -0.12 -3.71 0.85 0.00 -1.15 0.00 0.00 33.47 29.34 3hsn s TRP 716 CO 0.06 -3.03 2.03 0.87 0.02 0.00 0.00 176.95 176.90 3hsn h LYS 717 N 17.98 0.49 0.00 4.98 1.57 -1.93 -3.52 116.57 136.14 3hsn h LYS 717 Ca -0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3hsn h LYS 717 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hsn h LYS 717 CO 1.10 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 180.75