#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ht3 s MET 299 N 0.00 0.18 0.24 -1.58 1.75 -1.26 -5.14 119.30 113.49 3ht3 s MET 299 Ca 0.00 0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 54.68 3ht3 s MET 299 Cb 0.00 -0.49 -0.09 0.00 2.84 0.00 0.00 34.83 37.09 3ht3 s MET 299 CO 0.00 -0.45 1.18 0.00 -0.65 0.00 0.00 175.02 175.10 3ht3 s ALA 300 N 2.40 3.44 0.03 4.11 0.00 -1.26 -5.04 121.76 125.43 3ht3 s ALA 300 Ca 0.04 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 3ht3 s ALA 300 Cb -0.14 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3ht3 s ALA 300 CO -0.10 -0.33 0.57 -0.59 0.00 0.00 0.00 175.76 175.31 3ht3 s PHE 301 N -0.61 -0.51 -0.27 0.00 -0.12 -1.26 -4.69 117.98 110.53 3ht3 s PHE 301 Ca 0.49 0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 57.85 3ht3 s PHE 301 Cb -0.33 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3ht3 s PHE 301 CO 0.41 -0.66 0.46 0.99 -0.05 0.00 0.00 175.22 176.37 3ht3 s THR 302 N -2.23 5.11 -0.99 -4.49 2.01 0.14 -4.99 115.64 110.21 3ht3 s THR 302 Ca -0.06 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.48 3ht3 s THR 302 Cb -0.01 -3.78 0.10 0.00 0.01 0.00 0.00 72.50 68.83 3ht3 s THR 302 CO 0.00 0.11 1.27 -0.22 -0.69 0.00 0.00 174.62 175.09 3ht3 s LEU 303 N 2.22 4.49 0.36 4.42 0.20 -1.26 -0.95 118.68 128.15 3ht3 s LEU 303 Ca 0.19 -1.91 -0.25 0.00 0.69 0.00 0.00 54.13 52.84 3ht3 s LEU 303 Cb -0.16 -2.46 -0.09 0.00 -0.43 0.00 0.00 46.19 43.05 3ht3 s LEU 303 CO 0.10 -1.20 1.02 0.00 -0.29 0.00 0.00 176.35 175.97 3ht3 s ALA 304 N 3.45 3.17 -1.22 5.97 0.00 -0.32 -4.96 121.76 127.86 3ht3 s ALA 304 Ca 0.38 0.65 0.17 0.00 0.00 0.00 0.00 51.96 53.17 3ht3 s ALA 304 Cb -0.03 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 3ht3 s ALA 304 CO -0.09 -0.06 0.82 -0.40 0.00 0.00 0.00 175.76 176.03 3ht3 n ASP 305 N 0.29 1.27 -3.77 0.00 3.85 -1.26 -4.49 116.55 112.43 3ht3 n ASP 305 Ca 0.03 -1.13 -0.12 0.00 -0.71 0.00 0.00 54.79 52.86 3ht3 n ASP 305 Cb 0.49 0.74 -0.08 0.00 -1.35 0.00 0.00 41.12 40.93 3ht3 n ASP 305 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ht3 s ARG 306 N -2.34 0.75 0.17 0.11 1.70 -1.26 -5.03 118.95 113.05 3ht3 s ARG 306 Ca 0.11 -0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 3ht3 s ARG 306 Cb 0.14 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.77 3ht3 s ARG 306 CO 0.58 -0.23 1.14 0.08 -1.08 0.00 0.00 175.30 175.79 3ht3 s VAL 307 N -2.14 3.76 0.19 4.99 1.01 -1.26 -5.05 120.40 121.89 3ht3 s VAL 307 Ca -0.08 1.50 0.09 0.00 0.00 0.00 0.00 61.98 63.49 3ht3 s VAL 307 Cb -0.02 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3ht3 s VAL 307 CO -0.01 0.24 -0.19 0.42 0.00 0.00 0.00 175.10 175.57 3ht3 s THR 308 N -0.11 1.96 0.31 3.92 -4.23 -1.26 -5.06 115.64 111.17 3ht3 s THR 308 Ca 0.51 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3ht3 s THR 308 Cb -0.31 -1.96 0.30 0.00 1.34 0.00 0.00 72.50 71.87 3ht3 s THR 308 CO 0.35 -0.33 1.74 -0.08 -0.54 0.00 0.00 174.62 175.76 3ht3 h GLU 309 N 3.05 0.59 0.00 3.99 4.57 -1.98 -1.23 114.58 123.56 3ht3 h GLU 309 Ca -0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3ht3 h GLU 309 Cb 1.21 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3ht3 h GLU 309 CO 0.53 0.39 0.00 1.05 -1.18 0.00 0.00 179.01 179.80 3ht3 h GLU 310 N 0.60 0.00 0.00 1.92 4.11 -2.01 -1.52 114.58 117.68 3ht3 h GLU 310 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 3ht3 h GLU 310 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3ht3 h GLU 310 CO -0.45 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.30 3ht3 n MET 311 N -2.49 0.03 -1.54 1.06 2.81 -0.46 -3.93 117.12 112.59 3ht3 n MET 311 Ca 0.01 0.05 -0.23 0.00 -1.81 0.00 0.00 57.70 55.72 3ht3 n MET 311 Cb 0.24 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.33 3ht3 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ht3 n LEU 312 N -1.48 5.65 -4.63 4.03 4.77 -0.57 -5.03 117.00 119.74 3ht3 n LEU 312 Ca 0.07 -4.39 -0.30 0.00 -0.03 0.00 0.00 56.01 51.36 3ht3 n LEU 312 Cb 0.30 -0.61 0.18 0.00 -2.33 0.00 0.00 43.42 40.96 3ht3 n LEU 312 CO 0.24 1.72 0.62 0.00 -1.33 0.00 0.00 177.39 178.64 3ht3 s ALA 313 N -3.59 0.82 -2.24 -1.18 0.00 -1.25 -4.94 121.76 109.37 3ht3 s ALA 313 Ca 0.54 0.06 0.22 0.00 0.00 0.00 0.00 51.96 52.78 3ht3 s ALA 313 Cb 0.44 -3.27 0.94 0.00 0.00 0.00 0.00 23.12 21.23 3ht3 s ALA 313 CO 0.02 -2.98 1.65 -0.40 0.00 0.00 0.00 175.76 174.05 3ht3 n ASP 314 N -4.33 1.21 -3.75 0.00 3.85 -1.26 -4.63 116.55 107.64 3ht3 n ASP 314 Ca 0.07 -1.57 -0.14 0.00 -0.71 0.00 0.00 54.79 52.44 3ht3 n ASP 314 Cb 0.54 -0.06 -0.14 0.00 -1.35 0.00 0.00 41.12 40.11 3ht3 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3ht3 s LYS 315 N -1.88 0.09 0.05 0.11 2.20 -1.26 -0.95 119.74 118.10 3ht3 s LYS 315 Ca 0.33 0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 56.14 3ht3 s LYS 315 Cb 0.17 -0.18 0.03 0.00 -1.51 0.00 0.00 37.83 36.34 3ht3 s LYS 315 CO 0.27 -0.16 0.38 0.00 -0.36 0.00 0.00 175.35 175.47 3ht3 s ALA 316 N 1.16 -0.89 -0.05 3.13 0.00 -0.65 -4.49 121.76 119.96 3ht3 s ALA 316 Ca -0.09 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 3ht3 s ALA 316 Cb -0.11 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3ht3 s ALA 316 CO -0.06 -0.46 0.67 0.00 0.00 0.00 0.00 175.76 175.91 3ht3 s ALA 317 N -2.63 3.38 -0.05 0.00 0.00 0.57 -0.52 121.76 122.50 3ht3 s ALA 317 Ca -0.04 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.06 3ht3 s ALA 317 Cb -0.01 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 3ht3 s ALA 317 CO -0.04 -0.03 -0.18 -1.17 0.00 0.00 0.00 175.76 174.35 3ht3 s LEU 318 N 0.50 1.91 -0.14 0.00 2.96 -0.37 -1.24 118.68 122.30 3ht3 s LEU 318 Ca 0.35 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3ht3 s LEU 318 Cb -0.18 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.49 3ht3 s LEU 318 CO 0.18 0.14 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.47 3ht3 s VAL 319 N 0.15 1.87 -0.41 1.68 1.01 0.03 -4.50 120.40 120.22 3ht3 s VAL 319 Ca -0.07 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3ht3 s VAL 319 Cb -0.13 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.69 3ht3 s VAL 319 CO 0.03 0.51 0.14 -0.69 0.00 0.00 0.00 175.10 175.10 3ht3 s VAL 320 N 0.97 2.26 -0.28 2.92 1.01 -1.26 -0.99 120.40 125.03 3ht3 s VAL 320 Ca -0.05 -2.67 -0.28 0.00 0.00 0.00 0.00 61.98 58.98 3ht3 s VAL 320 Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3ht3 s VAL 320 CO -0.04 -0.70 1.00 -0.70 0.00 0.00 0.00 175.10 174.66 3ht3 s GLU 321 N 0.46 4.14 -0.27 2.72 2.56 -0.41 -4.64 118.70 123.26 3ht3 s GLU 321 Ca 0.14 1.10 -0.00 0.00 0.00 0.00 0.00 54.97 56.21 3ht3 s GLU 321 Cb -0.22 -3.69 0.04 0.00 2.00 0.00 0.00 34.13 32.27 3ht3 s GLU 321 CO -0.06 -0.73 -0.06 0.08 -0.56 0.00 0.00 175.26 173.94 3ht3 s VAL 322 N 3.30 2.66 0.03 3.70 1.01 -1.26 -1.29 120.40 128.55 3ht3 s VAL 322 Ca 0.42 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 61.11 3ht3 s VAL 322 Cb -0.14 -2.47 -0.24 0.00 0.00 0.00 0.00 36.38 33.53 3ht3 s VAL 322 CO 0.11 0.03 0.94 0.58 0.00 0.00 0.00 175.10 176.76 3ht3 h VAL 323 N 6.44 1.25 -2.52 2.92 2.07 -1.96 -3.45 116.25 121.00 3ht3 h VAL 323 Ca -0.25 -2.98 -0.54 0.00 0.82 0.00 0.00 66.70 63.76 3ht3 h VAL 323 Cb 1.07 2.68 0.05 0.00 -1.52 0.00 0.00 31.29 33.57 3ht3 h VAL 323 CO 0.53 0.77 1.03 -0.62 0.02 0.00 0.00 177.57 179.30 3ht3 n GLU 324 N -3.29 2.69 -0.12 1.57 1.02 -1.26 -4.90 120.64 116.34 3ht3 n GLU 324 Ca -0.11 0.97 -0.04 0.00 -0.02 0.00 0.00 57.16 57.96 3ht3 n GLU 324 Cb 1.01 -2.83 0.03 0.00 -0.02 0.00 0.00 31.44 29.63 3ht3 n GLU 324 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ht3 h GLU 325 N 7.44 0.09 -5.84 3.49 5.08 -2.03 -3.33 114.58 119.48 3ht3 h GLU 325 Ca -0.45 -0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.30 3ht3 h GLU 325 Cb 1.22 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 3ht3 h GLU 325 CO 0.94 0.06 0.43 1.21 -1.00 0.00 0.00 179.01 180.65 3ht3 s ASN 326 N -5.25 6.61 0.00 1.42 3.84 -1.26 -4.94 114.94 115.36 3ht3 s ASN 326 Ca -0.13 0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.70 3ht3 s ASN 326 Cb 0.14 -2.41 0.88 0.00 -0.55 0.00 0.00 41.25 39.31 3ht3 s ASN 326 CO 0.71 -0.72 1.65 0.00 -2.79 0.00 0.00 177.10 175.94 3ht3 n TYR 327 N 6.43 0.00 -1.95 0.43 0.18 -1.25 -4.71 117.16 116.28 3ht3 n TYR 327 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 3ht3 n TYR 327 Cb 0.48 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 39.31 3ht3 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3ht3 s HIS 328 N -2.40 2.30 -1.46 -3.48 3.76 -1.26 -2.37 115.29 110.38 3ht3 s HIS 328 Ca 0.28 0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.35 3ht3 s HIS 328 Cb 0.20 -3.95 0.08 0.00 1.11 0.00 0.00 32.58 30.02 3ht3 s HIS 328 CO 0.48 -3.86 0.73 -3.47 -0.85 0.00 0.00 174.74 167.77 3ht3 n ASP 329 N 6.00 -4.37 -4.93 1.40 -0.08 -1.26 -4.96 116.55 108.35 3ht3 n ASP 329 Ca 0.16 -0.60 -0.27 0.00 -1.51 0.00 0.00 54.79 52.57 3ht3 n ASP 329 Cb 0.41 -3.54 -0.03 0.00 2.34 0.00 0.00 41.12 40.30 3ht3 n ASP 329 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ht3 s ALA 330 N -3.14 3.90 0.27 -1.67 0.00 -1.00 -5.07 121.76 115.06 3ht3 s ALA 330 Ca 0.54 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 3ht3 s ALA 330 Cb -0.27 -1.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.85 3ht3 s ALA 330 CO 0.66 0.51 1.29 -2.14 0.00 0.00 0.00 175.76 176.08 3ht3 s PRO 331 N -3.20 4.40 -0.22 0.00 0.02 -1.26 -4.98 135.00 129.75 3ht3 s PRO 331 Ca 0.37 2.11 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 3ht3 s PRO 331 Cb -0.11 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 3ht3 s PRO 331 CO 0.29 -0.16 0.60 0.42 -0.33 0.00 0.00 177.00 177.81 3ht3 s ILE 332 N -0.65 5.03 -0.65 2.83 1.01 -1.26 -4.36 121.20 123.15 3ht3 s ILE 332 Ca 0.51 1.11 0.21 0.00 0.00 0.00 0.00 60.65 62.49 3ht3 s ILE 332 Cb -0.38 -3.92 -0.27 0.00 0.01 0.00 0.00 42.46 37.91 3ht3 s ILE 332 CO 0.46 0.09 0.75 1.33 0.00 0.00 0.00 174.94 177.56 3ht3 n VAL 333 N 4.86 0.00 0.00 2.92 0.24 -0.41 -4.77 118.33 121.17 3ht3 n VAL 333 Ca -0.02 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3ht3 n VAL 333 Cb 0.50 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3ht3 n VAL 333 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ht3 n GLY 334 N 1.41 1.09 2.92 7.63 0.00 -1.26 -4.73 105.19 112.26 3ht3 n GLY 334 Ca 0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 3ht3 n GLY 334 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ht3 s ILE 335 N -2.00 0.47 0.00 -0.61 1.01 -0.74 -1.28 121.20 118.05 3ht3 s ILE 335 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.54 3ht3 s ILE 335 Cb 0.00 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 3ht3 s ILE 335 CO 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 174.94 174.95 3ht3 s ALA 336 N 0.45 1.41 -0.08 9.38 0.00 -0.16 -0.62 121.76 132.14 3ht3 s ALA 336 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ht3 s ALA 336 Cb -0.09 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ht3 s ALA 336 CO -0.00 0.33 -0.12 0.08 0.00 0.00 0.00 175.76 176.05 3ht3 s VAL 337 N -0.52 1.18 -0.10 0.00 1.01 -0.33 -0.79 120.40 120.85 3ht3 s VAL 337 Ca 0.06 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3ht3 s VAL 337 Cb -0.07 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3ht3 s VAL 337 CO 0.00 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 3ht3 s VAL 338 N 0.88 1.46 0.00 2.92 1.01 -0.38 -0.33 120.40 125.97 3ht3 s VAL 338 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ht3 s VAL 338 Cb -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3ht3 s VAL 338 CO 0.01 0.43 0.00 -0.46 0.00 0.00 0.00 175.10 175.08 3ht3 n ASN 339 N 4.11 0.00 0.18 3.32 0.23 -0.61 -0.31 115.26 122.17 3ht3 n ASN 339 Ca -0.19 -0.90 0.17 0.00 -0.53 0.00 0.00 54.58 53.13 3ht3 n ASN 339 Cb 0.51 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.01 3ht3 n ASN 339 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ht3 h GLU 340 N 0.00 0.00 0.00 -3.83 4.81 -1.93 -2.80 114.58 110.83 3ht3 h GLU 340 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ht3 h GLU 340 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ht3 h GLU 340 CO 0.00 0.00 -0.97 0.72 -0.73 0.00 0.00 179.01 178.03 3ht3 n HIS 341 N -3.92 0.10 -2.25 0.92 8.25 -1.26 -5.07 115.22 111.99 3ht3 n HIS 341 Ca 0.03 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3ht3 n HIS 341 Cb 0.36 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3ht3 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ht3 n GLY 342 N 1.44 0.01 3.05 -1.41 0.00 -1.06 -5.10 105.19 102.12 3ht3 n GLY 342 Ca 0.03 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 3ht3 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ht3 s ARG 343 N -2.00 1.49 -0.02 1.61 0.52 -1.26 -1.57 118.95 117.73 3ht3 s ARG 343 Ca 0.00 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 3ht3 s ARG 343 Cb 0.00 -1.29 0.01 0.00 0.52 0.00 0.00 34.95 34.19 3ht3 s ARG 343 CO 0.00 0.11 -0.04 -0.06 0.02 0.00 0.00 175.30 175.34 3ht3 s PHE 344 N 0.35 0.47 -0.11 -0.53 0.40 0.55 -0.68 117.98 118.43 3ht3 s PHE 344 Ca -0.08 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3ht3 s PHE 344 Cb -0.12 -0.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 3ht3 s PHE 344 CO 0.02 -0.07 -0.05 0.12 0.70 0.00 0.00 175.22 175.94 3ht3 s PHE 345 N 0.33 2.99 -0.03 0.36 5.36 -0.12 -1.18 117.98 125.69 3ht3 s PHE 345 Ca -0.03 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 55.87 3ht3 s PHE 345 Cb -0.07 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 3ht3 s PHE 345 CO -0.00 0.19 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.28 3ht3 s LEU 346 N -0.33 1.95 0.22 6.12 1.43 0.21 -1.17 118.68 127.12 3ht3 s LEU 346 Ca 0.05 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 3ht3 s LEU 346 Cb -0.12 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 3ht3 s LEU 346 CO 0.02 0.16 1.28 -0.13 0.23 0.00 0.00 176.35 177.92 3ht3 s ARG 347 N -0.13 4.41 0.33 1.70 0.52 -1.26 -1.79 118.95 122.72 3ht3 s ARG 347 Ca 0.01 2.04 0.02 0.00 -0.52 0.00 0.00 55.73 57.28 3ht3 s ARG 347 Cb -0.09 -3.18 0.58 0.00 0.52 0.00 0.00 34.95 32.79 3ht3 s ARG 347 CO 0.01 -0.19 1.96 -1.00 0.02 0.00 0.00 175.30 176.10 3ht3 h PRO 348 N 4.93 0.92 -0.68 3.54 0.13 -1.86 -1.08 132.00 137.89 3ht3 h PRO 348 Ca -0.45 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 64.72 3ht3 h PRO 348 Cb 1.22 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 3ht3 h PRO 348 CO 0.74 0.61 0.45 0.93 -0.23 0.00 0.00 178.00 180.50 3ht3 h GLU 349 N 0.95 0.52 0.00 0.86 3.07 -1.91 -1.79 114.58 116.27 3ht3 h GLU 349 Ca 0.31 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3ht3 h GLU 349 Cb 0.07 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3ht3 h GLU 349 CO -0.09 0.35 -0.14 1.15 -1.40 0.00 0.00 179.01 178.88 3ht3 h THR 350 N 0.54 0.40 -0.75 1.13 2.02 -1.69 -3.34 112.91 111.21 3ht3 h THR 350 Ca 0.32 -1.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 3ht3 h THR 350 Cb 0.52 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3ht3 h THR 350 CO -0.10 0.13 0.30 0.00 0.37 0.00 0.00 175.52 176.22 3ht3 h ALA 351 N -0.78 0.98 0.00 6.16 0.00 -1.12 -2.66 119.26 121.84 3ht3 h ALA 351 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ht3 h ALA 351 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ht3 h ALA 351 CO -0.01 0.60 -0.11 1.28 0.00 0.00 0.00 179.25 181.01 3ht3 n LEU 352 N -4.32 0.31 -0.11 0.00 4.77 -0.68 -2.50 117.00 114.46 3ht3 n LEU 352 Ca 0.06 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 3ht3 n LEU 352 Cb 0.18 -0.40 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3ht3 n LEU 352 CO 0.40 -0.03 0.25 0.00 -1.33 0.00 0.00 177.39 176.69 3ht3 n ALA 353 N -1.59 3.99 -2.60 -1.18 0.00 -1.10 -4.89 120.51 113.14 3ht3 n ALA 353 Ca 0.06 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3ht3 n ALA 353 Cb 0.37 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 3ht3 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ht3 s ASP 354 N -2.86 6.63 0.29 0.00 2.15 -1.02 -4.96 116.67 116.90 3ht3 s ASP 354 Ca 0.13 0.52 0.03 0.00 0.43 0.00 0.00 52.55 53.66 3ht3 s ASP 354 Cb 0.17 -2.43 0.67 0.00 -0.30 0.00 0.00 42.92 41.03 3ht3 s ASP 354 CO 0.73 -0.76 1.76 -0.65 -0.17 0.00 0.00 175.17 176.08 3ht3 h PRO 355 N 8.39 0.63 -0.34 4.34 0.11 -1.90 -1.71 132.00 141.52 3ht3 h PRO 355 Ca -0.24 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.70 3ht3 h PRO 355 Cb 1.09 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3ht3 h PRO 355 CO 0.93 0.42 -0.34 1.96 -0.21 0.00 0.00 178.00 180.76 3ht3 h GLN 356 N 0.65 0.75 -0.24 1.05 7.50 -1.93 -1.88 115.11 121.01 3ht3 h GLN 356 Ca 0.54 -0.36 -0.05 0.00 0.50 0.00 0.00 58.65 59.27 3ht3 h GLN 356 Cb 0.85 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 3ht3 h GLN 356 CO -0.40 0.98 -0.05 0.35 -1.50 0.00 0.00 178.83 178.21 3ht3 h PHE 357 N 0.63 0.52 -0.86 2.96 3.57 -1.60 -1.30 116.94 120.87 3ht3 h PHE 357 Ca 0.07 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3ht3 h PHE 357 Cb 0.87 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3ht3 h PHE 357 CO 0.05 0.69 0.43 0.28 -2.23 0.00 0.00 178.31 177.52 3ht3 h VAL 358 N 0.21 1.26 -0.84 1.41 2.07 -1.37 0.10 116.25 119.09 3ht3 h VAL 358 Ca 0.06 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3ht3 h VAL 358 Cb 0.51 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3ht3 h VAL 358 CO 0.02 0.30 0.42 0.00 0.02 0.00 0.00 177.57 178.34 3ht3 h ALA 359 N 1.23 1.09 -0.11 1.67 0.00 -1.28 -2.10 119.26 119.77 3ht3 h ALA 359 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ht3 h ALA 359 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ht3 h ALA 359 CO -0.04 0.64 0.03 2.35 0.00 0.00 0.00 179.25 182.23 3ht3 h TRP 360 N 1.19 0.18 -0.77 0.00 7.01 -0.46 -1.81 115.95 121.29 3ht3 h TRP 360 Ca 0.29 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.43 3ht3 h TRP 360 Cb 0.09 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 27.00 3ht3 h TRP 360 CO 0.01 0.31 0.27 -0.07 -2.79 0.00 0.00 178.44 176.17 3ht3 h LEU 361 N -0.01 0.19 -0.13 0.65 3.38 -0.69 -2.31 115.31 116.38 3ht3 h LEU 361 Ca 0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ht3 h LEU 361 Cb 0.22 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ht3 h LEU 361 CO -0.00 0.04 -0.10 0.61 0.09 0.00 0.00 178.44 179.07 3ht3 n GLY 362 N -1.34 -1.12 3.62 0.83 0.00 -0.80 -1.12 105.19 105.26 3ht3 n GLY 362 Ca 0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3ht3 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ht3 s ASP 363 N -2.61 6.73 0.51 1.61 -1.08 -0.70 -4.52 116.67 116.60 3ht3 s ASP 363 Ca 0.25 0.75 0.29 0.00 -0.52 0.00 0.00 52.55 53.33 3ht3 s ASP 363 Cb 0.20 -2.44 1.24 0.00 -1.46 0.00 0.00 42.92 40.45 3ht3 s ASP 363 CO 0.50 -0.69 1.95 1.05 0.52 0.00 0.00 175.17 178.50 3ht3 h GLU 364 N 8.12 0.00 0.00 4.34 4.11 -1.87 -2.57 114.58 126.71 3ht3 h GLU 364 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 3ht3 h GLU 364 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3ht3 h GLU 364 CO 0.92 0.11 0.00 0.25 0.07 0.00 0.00 179.01 180.36 3ht3 n THR 365 N -3.29 0.65 -3.27 -1.06 -2.24 -1.26 -4.18 114.28 99.63 3ht3 n THR 365 Ca -0.00 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 3ht3 n THR 365 Cb 0.34 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 3ht3 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ht3 s LYS 366 N -3.16 3.09 0.02 -0.78 -0.14 -0.97 -4.92 119.74 112.88 3ht3 s LYS 366 Ca 0.09 -0.88 -0.23 0.00 -1.36 0.00 0.00 55.97 53.58 3ht3 s LYS 366 Cb 0.12 -4.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.18 3ht3 s LYS 366 CO 0.53 -1.00 0.70 0.15 -0.76 0.00 0.00 175.35 174.97 3ht3 s LYS 367 N 2.23 4.43 -0.04 1.68 -0.14 -0.13 -4.53 119.74 123.25 3ht3 s LYS 367 Ca 0.12 0.94 0.07 0.00 -1.36 0.00 0.00 55.97 55.74 3ht3 s LYS 367 Cb -0.19 -3.36 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 3ht3 s LYS 367 CO 0.12 0.30 -0.25 0.15 -0.76 0.00 0.00 175.35 174.91 3ht3 s LYS 368 N -0.04 2.22 -0.15 1.68 3.01 0.34 -1.64 119.74 125.16 3ht3 s LYS 368 Ca 0.36 -0.89 -0.05 0.00 -1.01 0.00 0.00 55.97 54.38 3ht3 s LYS 368 Cb -0.19 -2.02 -0.03 0.00 -1.01 0.00 0.00 37.83 34.57 3ht3 s LYS 368 CO 0.21 0.46 0.01 -1.12 0.51 0.00 0.00 175.35 175.42 3ht3 s SER 369 N -0.39 5.21 0.24 2.83 0.01 0.32 -1.07 113.70 120.85 3ht3 s SER 369 Ca 0.04 0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3ht3 s SER 369 Cb -0.11 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3ht3 s SER 369 CO 0.01 0.21 0.18 -0.04 0.41 0.00 0.00 173.24 174.01 3ht3 s MET 370 N 0.16 1.38 -0.19 12.44 -1.94 0.05 -1.23 119.30 129.96 3ht3 s MET 370 Ca 0.01 -1.75 0.01 0.00 -1.71 0.00 0.00 55.69 52.26 3ht3 s MET 370 Cb -0.13 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.03 3ht3 s MET 370 CO 0.02 -0.47 -0.18 0.12 -0.01 0.00 0.00 175.02 174.49 3ht3 s PHE 371 N -3.93 2.80 -0.84 -0.03 5.36 -1.26 -0.37 117.98 119.70 3ht3 s PHE 371 Ca 0.39 -1.72 -0.02 0.00 -0.96 0.00 0.00 56.93 54.62 3ht3 s PHE 371 Cb 0.05 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.82 3ht3 s PHE 371 CO 0.17 -0.81 0.76 -3.47 -1.46 0.00 0.00 175.22 170.41 3ht3 n ASP 372 N 4.60 -7.33 0.29 6.13 2.03 -1.26 -4.90 116.55 116.12 3ht3 n ASP 372 Ca -0.20 -0.31 0.16 0.00 0.52 0.00 0.00 54.79 54.97 3ht3 n ASP 372 Cb 0.49 -5.14 0.88 0.00 -0.72 0.00 0.00 41.12 36.64 3ht3 n ASP 372 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ht3 h SER 373 N -0.07 0.00 -0.49 1.67 4.64 -1.94 -2.67 113.55 114.69 3ht3 h SER 373 Ca -0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3ht3 h SER 373 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3ht3 h SER 373 CO 0.35 0.05 -0.15 0.50 -0.87 0.00 0.00 176.83 176.71 3ht3 h LYS 374 N 0.00 0.97 0.09 4.77 3.64 -1.91 -0.25 116.57 123.88 3ht3 h LYS 374 Ca -0.00 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 3ht3 h LYS 374 Cb 0.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3ht3 h LYS 374 CO 0.01 1.06 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.89 3ht3 h ARG 375 N 0.83 -0.44 -0.35 1.90 2.43 -1.84 -0.84 114.38 116.06 3ht3 h ARG 375 Ca 0.12 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3ht3 h ARG 375 Cb 0.72 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3ht3 h ARG 375 CO 0.05 -0.29 0.16 0.00 -1.51 0.00 0.00 179.97 178.38 3ht3 h ALA 376 N 0.30 0.45 -0.54 2.80 0.00 -1.52 -1.24 119.26 119.52 3ht3 h ALA 376 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ht3 h ALA 376 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ht3 h ALA 376 CO -0.17 0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.41 3ht3 h ALA 377 N 1.01 0.69 -0.20 0.00 0.00 -0.92 -0.15 119.26 119.69 3ht3 h ALA 377 Ca 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ht3 h ALA 377 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ht3 h ALA 377 CO -0.01 0.20 -0.06 0.28 0.00 0.00 0.00 179.25 179.66 3ht3 h VAL 378 N 0.73 1.29 -0.86 0.00 2.07 -1.08 0.03 116.25 118.44 3ht3 h VAL 378 Ca 0.19 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3ht3 h VAL 378 Cb 0.03 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3ht3 h VAL 378 CO -0.03 0.32 0.56 0.00 0.02 0.00 0.00 177.57 178.44 3ht3 h ALA 379 N 0.73 1.47 -0.45 1.67 0.00 -1.04 -1.21 119.26 120.44 3ht3 h ALA 379 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ht3 h ALA 379 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ht3 h ALA 379 CO 0.02 0.44 0.03 -0.07 0.00 0.00 0.00 179.25 179.67 3ht3 h LEU 380 N 1.06 0.75 -0.71 0.00 3.38 -0.92 -2.88 115.31 115.98 3ht3 h LEU 380 Ca 0.34 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.15 3ht3 h LEU 380 Cb 0.05 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 3ht3 h LEU 380 CO -0.11 0.85 0.29 0.11 0.09 0.00 0.00 178.44 179.68 3ht3 h LYS 381 N 0.62 0.45 0.00 1.13 1.57 0.06 0.58 116.57 120.98 3ht3 h LYS 381 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ht3 h LYS 381 Cb 0.45 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ht3 h LYS 381 CO 0.02 0.30 0.00 -1.49 -0.57 0.00 0.00 179.45 177.71 3ht3 h TRP 382 N 0.46 0.00 -0.37 -1.35 4.06 -1.09 0.41 115.95 118.08 3ht3 h TRP 382 Ca 0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.33 3ht3 h TRP 382 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3ht3 h TRP 382 CO -0.16 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.35 3ht3 n LYS 383 N -3.05 2.44 -2.87 0.49 4.76 0.01 -4.96 118.16 114.99 3ht3 n LYS 383 Ca -0.02 -2.24 -0.11 0.00 -2.87 0.00 0.00 58.31 53.08 3ht3 n LYS 383 Cb 0.16 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 3ht3 n LYS 383 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ht3 n GLY 384 N 1.42 0.19 3.05 0.72 0.00 0.13 -5.05 105.19 105.66 3ht3 n GLY 384 Ca 0.18 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3ht3 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ht3 s ILE 385 N -3.03 1.12 -0.04 -0.61 1.01 -0.24 -4.99 121.20 114.43 3ht3 s ILE 385 Ca 0.23 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 3ht3 s ILE 385 Cb -0.10 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3ht3 s ILE 385 CO 0.28 0.34 0.52 -0.70 0.00 0.00 0.00 174.94 175.39 3ht3 s GLU 386 N 0.37 4.26 -0.19 2.79 2.12 -1.26 -3.12 118.70 123.67 3ht3 s GLU 386 Ca -0.09 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.79 3ht3 s GLU 386 Cb -0.13 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 3ht3 s GLU 386 CO 0.02 0.35 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.88 3ht3 s LEU 387 N -0.08 2.95 0.24 2.70 2.96 -1.26 -3.22 118.68 122.98 3ht3 s LEU 387 Ca 0.28 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3ht3 s LEU 387 Cb -0.17 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3ht3 s LEU 387 CO 0.14 0.05 0.03 0.00 -1.32 0.00 0.00 176.35 175.25 3ht3 n GLY 389 N -0.44 0.41 3.63 0.00 0.00 -1.26 -4.63 105.19 102.90 3ht3 n GLY 389 Ca -0.03 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 3ht3 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ht3 s VAL 390 N -2.02 4.08 -0.53 1.61 1.01 -1.26 -0.50 120.40 122.79 3ht3 s VAL 390 Ca 0.00 1.23 0.14 0.00 0.00 0.00 0.00 61.98 63.35 3ht3 s VAL 390 Cb 0.00 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 32.16 3ht3 s VAL 390 CO 0.00 -0.40 0.54 -1.54 0.00 0.00 0.00 175.10 173.71 3ht3 n SER 391 N 7.63 0.89 -3.69 3.32 3.41 -0.23 -4.89 113.62 120.05 3ht3 n SER 391 Ca 0.15 -0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3ht3 n SER 391 Cb 0.46 1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 65.46 3ht3 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ht3 s PHE 392 N -2.50 -0.63 -0.26 7.33 5.36 -1.20 -5.00 117.98 121.08 3ht3 s PHE 392 Ca 0.03 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.33 3ht3 s PHE 392 Cb 0.10 0.27 0.07 0.00 -0.34 0.00 0.00 43.02 43.12 3ht3 s PHE 392 CO 0.59 -0.36 -0.05 0.34 -1.46 0.00 0.00 175.22 174.28 3ht3 s ASP 393 N 1.59 4.19 0.36 6.13 -1.08 -1.26 -0.77 116.67 125.83 3ht3 s ASP 393 Ca -0.08 -1.40 0.04 0.00 -0.52 0.00 0.00 52.55 50.59 3ht3 s ASP 393 Cb -0.09 -1.35 0.67 0.00 -1.46 0.00 0.00 42.92 40.69 3ht3 s ASP 393 CO -0.13 -0.25 1.97 0.25 0.52 0.00 0.00 175.17 177.54 3ht3 h LEU 394 N 7.85 0.59 -0.32 -1.34 5.85 -1.08 -0.47 115.31 126.40 3ht3 h LEU 394 Ca -0.16 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3ht3 h LEU 394 Cb 1.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3ht3 h LEU 394 CO 0.45 0.50 0.14 0.25 -0.34 0.00 0.00 178.44 179.44 3ht3 h LEU 395 N 0.67 0.43 -0.60 2.25 5.85 -1.91 -0.47 115.31 121.53 3ht3 h LEU 395 Ca 0.17 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3ht3 h LEU 395 Cb 0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3ht3 h LEU 395 CO -0.02 0.46 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.05 3ht3 h LEU 396 N 0.37 0.68 -0.42 2.25 3.38 -1.82 -0.93 115.31 118.83 3ht3 h LEU 396 Ca 0.11 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ht3 h LEU 396 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ht3 h LEU 396 CO -0.01 1.02 0.26 0.00 0.09 0.00 0.00 178.44 179.80 3ht3 h ALA 397 N 1.01 0.53 -0.49 1.53 0.00 -0.97 -1.73 119.26 119.15 3ht3 h ALA 397 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ht3 h ALA 397 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ht3 h ALA 397 CO 0.09 0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.36 3ht3 h ALA 398 N 1.13 0.66 -0.68 0.00 0.00 -0.92 -1.63 119.26 117.81 3ht3 h ALA 398 Ca 0.15 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ht3 h ALA 398 Cb -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3ht3 h ALA 398 CO -0.03 0.45 0.41 -0.92 0.00 0.00 0.00 179.25 179.16 3ht3 h TYR 399 N 0.72 0.77 -0.37 0.00 3.20 -1.02 -1.73 116.97 118.53 3ht3 h TYR 399 Ca 0.14 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 3ht3 h TYR 399 Cb 0.49 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3ht3 h TYR 399 CO 0.04 0.42 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.61 3ht3 h LEU 400 N 0.80 0.83 -0.88 2.82 3.38 -1.12 -2.40 115.31 118.74 3ht3 h LEU 400 Ca 0.28 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3ht3 h LEU 400 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ht3 h LEU 400 CO -0.13 1.07 -0.07 -0.07 0.09 0.00 0.00 178.44 179.34 3ht3 h LEU 401 N 0.68 0.74 -6.00 1.67 3.38 -0.82 -3.42 115.31 111.54 3ht3 h LEU 401 Ca 0.08 -0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.01 3ht3 h LEU 401 Cb 0.84 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.19 3ht3 h LEU 401 CO 0.07 0.85 -0.10 -0.62 0.09 0.00 0.00 178.44 178.73 3ht3 s ASP 402 N -6.68 -0.80 0.36 -0.43 2.15 -0.69 -5.01 116.67 105.56 3ht3 s ASP 402 Ca -0.09 0.19 0.27 0.00 0.43 0.00 0.00 52.55 53.35 3ht3 s ASP 402 Cb 0.14 1.54 1.17 0.00 -0.30 0.00 0.00 42.92 45.47 3ht3 s ASP 402 CO 0.81 -0.15 1.81 1.55 -0.17 0.00 0.00 175.17 179.03 3ht3 h PRO 403 N 7.63 0.00 0.00 4.34 0.13 -1.66 -2.71 132.00 139.74 3ht3 h PRO 403 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3ht3 h PRO 403 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ht3 h PRO 403 CO -0.01 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 177.73 3ht3 h ALA 404 N 2.16 1.00 0.00 -0.56 0.00 -1.94 -2.92 119.26 117.00 3ht3 h ALA 404 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ht3 h ALA 404 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ht3 h ALA 404 CO 0.00 0.04 0.00 1.96 0.00 0.00 0.00 179.25 181.25 3ht3 h GLN 405 N 0.00 0.00 -6.32 0.00 1.08 -1.87 -3.46 115.11 104.54 3ht3 h GLN 405 Ca -0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 3ht3 h GLN 405 Cb 0.63 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 3ht3 h GLN 405 CO 0.00 0.00 -0.80 0.41 -0.95 0.00 0.00 178.83 177.50 3ht3 n GLY 406 N -0.16 -0.42 3.69 3.46 0.00 -1.10 -4.88 105.19 105.78 3ht3 n GLY 406 Ca 0.01 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ht3 n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ht3 n VAL 407 N -4.54 0.36 -0.85 1.61 0.31 -1.26 -4.83 118.33 109.14 3ht3 n VAL 407 Ca -0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3ht3 n VAL 407 Cb 0.57 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3ht3 n VAL 407 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ht3 n ASP 408 N 5.63 0.17 -4.04 4.52 5.68 -1.26 -4.96 116.55 122.29 3ht3 n ASP 408 Ca 0.18 -1.02 -0.10 0.00 -0.50 0.00 0.00 54.79 53.35 3ht3 n ASP 408 Cb 0.37 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 3ht3 n ASP 408 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 3ht3 s ASP 409 N -0.02 -0.03 0.30 -1.12 3.84 -1.26 -5.05 116.67 113.34 3ht3 s ASP 409 Ca 0.00 -1.04 -0.00 0.00 -0.00 0.00 0.00 52.55 51.51 3ht3 s ASP 409 Cb 0.00 0.53 0.49 0.00 -1.38 0.00 0.00 42.92 42.56 3ht3 s ASP 409 CO 0.00 -1.05 1.94 0.58 -0.00 0.00 0.00 175.17 176.64 3ht3 h VAL 410 N 2.36 1.14 -0.68 2.11 2.07 -1.98 -2.49 116.25 118.78 3ht3 h VAL 410 Ca -0.29 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ht3 h VAL 410 Cb 1.25 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ht3 h VAL 410 CO 0.41 0.19 0.45 0.00 0.02 0.00 0.00 177.57 178.64 3ht3 h ALA 411 N 1.50 0.87 -0.59 1.67 0.00 -1.88 0.21 119.26 121.04 3ht3 h ALA 411 Ca 0.34 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3ht3 h ALA 411 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ht3 h ALA 411 CO -0.10 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3ht3 h ALA 412 N 1.25 0.80 -0.45 0.00 0.00 -1.84 -1.11 119.26 117.90 3ht3 h ALA 412 Ca 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ht3 h ALA 412 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ht3 h ALA 412 CO -0.06 0.63 0.22 0.00 0.00 0.00 0.00 179.25 180.05 3ht3 h ALA 413 N 0.98 0.59 -0.92 0.00 0.00 -1.09 -3.03 119.26 115.78 3ht3 h ALA 413 Ca 0.17 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3ht3 h ALA 413 Cb 0.55 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3ht3 h ALA 413 CO 0.03 0.14 0.59 0.00 0.00 0.00 0.00 179.25 180.01 3ht3 h ALA 414 N 1.07 1.60 0.00 0.00 0.00 -0.07 -2.25 119.26 119.61 3ht3 h ALA 414 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ht3 h ALA 414 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ht3 h ALA 414 CO -0.02 0.21 -0.21 0.87 0.00 0.00 0.00 179.25 180.10 3ht3 h LYS 415 N 0.92 0.00 -0.07 0.00 1.79 -1.09 -1.06 116.57 117.06 3ht3 h LYS 415 Ca 0.43 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.92 3ht3 h LYS 415 Cb 0.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3ht3 h LYS 415 CO -0.19 0.21 0.11 0.52 -1.08 0.00 0.00 179.45 179.02 3ht3 h MET 416 N 0.00 0.00 0.00 3.15 2.86 -1.44 -2.32 114.93 117.18 3ht3 h MET 416 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ht3 h MET 416 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3ht3 h MET 416 CO 0.03 0.00 -0.04 1.63 1.06 0.00 0.00 176.91 179.58 3ht3 n LYS 417 N -3.55 1.35 -3.53 1.72 4.76 -0.51 -4.99 118.16 113.41 3ht3 n LYS 417 Ca -0.01 -2.29 -0.26 0.00 -2.87 0.00 0.00 58.31 52.88 3ht3 n LYS 417 Cb 0.20 -1.34 0.03 0.00 -1.84 0.00 0.00 35.03 32.08 3ht3 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3ht3 n GLN 418 N -1.18 -5.31 -3.30 1.97 3.00 -0.88 -4.96 117.38 106.72 3ht3 n GLN 418 Ca 0.13 0.68 -0.40 0.00 -0.01 0.00 0.00 57.00 57.40 3ht3 n GLN 418 Cb 0.60 -5.56 -0.08 0.00 0.00 0.00 0.00 30.24 25.20 3ht3 n GLN 418 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 3ht3 s TYR 419 N -3.19 3.25 -0.38 1.08 5.04 -0.59 -4.95 117.35 117.60 3ht3 s TYR 419 Ca 0.51 0.48 0.03 0.00 -2.44 0.00 0.00 57.07 55.65 3ht3 s TYR 419 Cb -0.25 -2.68 0.03 0.00 0.35 0.00 0.00 41.96 39.41 3ht3 s TYR 419 CO 0.63 -0.29 0.61 0.39 -1.34 0.00 0.00 175.55 175.55 3ht3 n GLU 420 N 5.47 -0.51 -0.09 4.97 4.71 -1.26 -4.03 120.64 129.90 3ht3 n GLU 420 Ca -0.06 -0.70 0.00 0.00 -0.01 0.00 0.00 57.16 56.39 3ht3 n GLU 420 Cb 0.50 -1.06 0.00 0.00 -1.01 0.00 0.00 31.44 29.87 3ht3 n GLU 420 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ht3 n ALA 421 N 0.17 2.58 -3.46 0.62 0.00 -1.26 -4.72 120.51 114.44 3ht3 n ALA 421 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 3ht3 n ALA 421 Cb 0.08 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 3ht3 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ht3 s VAL 422 N 0.25 -0.01 0.39 0.00 0.11 -1.26 -4.90 120.40 114.98 3ht3 s VAL 422 Ca 0.00 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 3ht3 s VAL 422 Cb 0.00 -0.68 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 3ht3 s VAL 422 CO 0.00 0.01 0.80 -0.13 -3.33 0.00 0.00 175.10 172.44 3ht3 s ARG 423 N 0.58 3.93 0.56 1.54 0.52 -1.26 -4.82 118.95 120.00 3ht3 s ARG 423 Ca -0.03 0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 55.65 3ht3 s ARG 423 Cb -0.05 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 3ht3 s ARG 423 CO -0.03 0.01 1.22 -2.14 0.02 0.00 0.00 175.30 174.38 3ht3 s PRO 424 N -3.47 3.14 0.41 3.54 0.02 -1.26 -4.47 135.00 132.92 3ht3 s PRO 424 Ca 0.54 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.52 3ht3 s PRO 424 Cb -0.10 -2.06 0.87 0.00 0.02 0.00 0.00 34.50 33.22 3ht3 s PRO 424 CO 0.24 -1.08 2.02 -0.44 -0.33 0.00 0.00 177.00 177.41 3ht3 h ASP 425 N 1.19 0.37 0.93 2.53 3.32 -1.97 -2.05 116.42 120.74 3ht3 h ASP 425 Ca -0.50 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3ht3 h ASP 425 Cb 1.29 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3ht3 h ASP 425 CO 0.56 0.33 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.62 3ht3 h GLU 426 N 0.42 0.00 0.00 3.56 5.08 -1.93 -0.77 114.58 120.94 3ht3 h GLU 426 Ca 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3ht3 h GLU 426 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ht3 h GLU 426 CO -0.01 0.47 -0.31 0.00 -1.00 0.00 0.00 179.01 178.15 3ht3 h ALA 427 N 1.53 1.00 0.02 3.43 0.00 -1.72 0.17 119.26 123.70 3ht3 h ALA 427 Ca -0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 3ht3 h ALA 427 Cb 1.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3ht3 h ALA 427 CO 0.06 0.39 -1.90 0.28 0.00 0.00 0.00 179.25 178.08 3ht3 n VAL 428 N -3.46 1.57 0.10 0.00 0.31 -1.11 -4.60 118.33 111.14 3ht3 n VAL 428 Ca 0.00 -0.30 0.11 0.00 -0.01 0.00 0.00 64.34 64.14 3ht3 n VAL 428 Cb 0.48 -1.88 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3ht3 n VAL 428 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3ht3 h TYR 429 N -0.72 0.00 0.00 3.52 0.99 -1.23 -3.43 116.97 116.10 3ht3 h TYR 429 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 3ht3 h TYR 429 Cb 1.58 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.31 3ht3 h TYR 429 CO 0.03 0.05 0.00 0.41 -0.00 0.00 0.00 178.16 178.65 3ht3 n GLY 430 N 1.20 -0.11 3.81 3.88 0.00 0.60 -1.22 105.19 113.35 3ht3 n GLY 430 Ca -0.01 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3ht3 n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ht3 s LYS 431 N -3.17 4.20 0.98 1.61 1.02 -1.26 -4.20 119.74 118.93 3ht3 s LYS 431 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.74 3ht3 s LYS 431 Cb 0.00 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3ht3 s LYS 431 CO 0.00 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3ht3 n GLY 432 N 1.53 1.34 0.07 -3.33 0.00 -1.26 -0.84 105.19 102.70 3ht3 n GLY 432 Ca -0.09 0.66 0.11 0.00 0.00 0.00 0.00 46.02 46.70 3ht3 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ht3 n ALA 433 N 7.94 1.94 0.86 4.61 0.00 -1.26 -2.12 120.51 132.48 3ht3 n ALA 433 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3ht3 n ALA 433 Cb 0.00 -1.39 0.30 0.00 0.00 0.00 0.00 19.45 18.36 3ht3 n ALA 433 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ht3 n LYS 434 N -1.94 1.99 -1.77 0.00 5.02 -0.02 -4.96 118.16 116.49 3ht3 n LYS 434 Ca 0.04 -1.50 -0.42 0.00 -2.02 0.00 0.00 58.31 54.41 3ht3 n LYS 434 Cb 0.29 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3ht3 n LYS 434 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3ht3 s ARG 435 N -1.64 4.03 -0.14 1.97 3.52 -0.90 -4.48 118.95 121.32 3ht3 s ARG 435 Ca 0.33 2.41 -0.29 0.00 -0.13 0.00 0.00 55.73 58.05 3ht3 s ARG 435 Cb 0.18 -4.14 0.09 0.00 -1.56 0.00 0.00 34.95 29.53 3ht3 s ARG 435 CO 0.26 -1.06 0.79 0.00 -0.81 0.00 0.00 175.30 174.49 3ht3 s ALA 436 N 4.78 -1.83 -0.01 6.12 0.00 -0.36 -5.03 121.76 125.44 3ht3 s ALA 436 Ca 0.85 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 54.07 3ht3 s ALA 436 Cb -0.39 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3ht3 s ALA 436 CO 0.37 -0.34 1.29 0.08 0.00 0.00 0.00 175.76 177.16 3ht3 s VAL 437 N -0.76 3.97 1.08 0.00 1.01 -1.26 -4.49 120.40 119.95 3ht3 s VAL 437 Ca -0.06 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 3ht3 s VAL 437 Cb -0.01 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 32.75 3ht3 s VAL 437 CO 0.05 0.02 1.27 -2.16 0.00 0.00 0.00 175.10 174.28 3ht3 s PRO 438 N 2.08 -0.27 0.40 2.72 0.04 -1.26 -5.00 135.00 133.72 3ht3 s PRO 438 Ca 0.60 -0.40 -0.27 0.00 0.04 0.00 0.00 61.00 60.97 3ht3 s PRO 438 Cb -0.28 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3ht3 s PRO 438 CO 0.25 -3.02 1.43 -3.47 0.04 0.00 0.00 177.00 172.23 3ht3 n ASP 439 N -4.20 3.42 -0.32 6.66 2.03 -1.26 -4.60 116.55 118.28 3ht3 n ASP 439 Ca 0.16 1.18 0.18 0.00 0.52 0.00 0.00 54.79 56.83 3ht3 n ASP 439 Cb 0.59 -1.59 0.37 0.00 -0.72 0.00 0.00 41.12 39.77 3ht3 n ASP 439 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3ht3 h GLU 440 N 2.60 0.14 -0.32 -0.67 4.81 -1.99 0.62 114.58 119.77 3ht3 h GLU 440 Ca -0.50 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 3ht3 h GLU 440 Cb 1.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3ht3 h GLU 440 CO 0.62 0.09 -0.09 -1.35 -0.73 0.00 0.00 179.01 177.55 3ht3 h PRO 441 N 0.14 0.53 -0.34 0.92 0.11 -1.99 0.96 132.00 132.33 3ht3 h PRO 441 Ca 0.64 -0.15 -0.12 0.00 0.11 0.00 0.00 66.00 66.49 3ht3 h PRO 441 Cb 1.41 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 3ht3 h PRO 441 CO -0.73 0.63 -0.24 0.28 -0.21 0.00 0.00 178.00 177.72 3ht3 h VAL 442 N 0.50 1.29 -0.12 3.15 2.07 -1.26 -2.44 116.25 119.44 3ht3 h VAL 442 Ca 0.09 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3ht3 h VAL 442 Cb 0.47 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3ht3 h VAL 442 CO 0.03 0.46 0.04 0.25 0.02 0.00 0.00 177.57 178.36 3ht3 h LEU 443 N 0.54 0.17 -0.11 2.57 5.85 -1.15 -2.58 115.31 120.59 3ht3 h LEU 443 Ca 0.06 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3ht3 h LEU 443 Cb 0.81 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3ht3 h LEU 443 CO 0.07 0.32 -0.09 0.00 -0.34 0.00 0.00 178.44 178.40 3ht3 h ALA 444 N 0.86 -0.00 -0.78 1.25 0.00 -0.79 -0.04 119.26 119.76 3ht3 h ALA 444 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ht3 h ALA 444 Cb 0.21 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3ht3 h ALA 444 CO -0.00 -0.55 0.49 1.49 0.00 0.00 0.00 179.25 180.69 3ht3 h GLU 445 N -0.10 0.93 -0.04 0.00 4.81 -1.48 -0.07 114.58 118.62 3ht3 h GLU 445 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3ht3 h GLU 445 Cb 0.21 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ht3 h GLU 445 CO -0.18 0.61 0.02 1.25 -0.73 0.00 0.00 179.01 179.98 3ht3 h HIS 446 N 0.95 0.06 -0.84 0.92 2.76 -0.93 0.59 115.15 118.67 3ht3 h HIS 446 Ca 0.32 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 3ht3 h HIS 446 Cb 0.04 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3ht3 h HIS 446 CO -0.03 0.16 0.41 -0.07 -1.30 0.00 0.00 177.93 177.09 3ht3 h LEU 447 N -0.06 1.09 -0.64 0.26 3.38 -0.70 -0.36 115.31 118.28 3ht3 h LEU 447 Ca 0.01 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3ht3 h LEU 447 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ht3 h LEU 447 CO -0.00 0.91 0.09 0.58 0.09 0.00 0.00 178.44 180.11 3ht3 h VAL 448 N 1.19 1.26 -0.66 1.22 2.07 -0.90 -1.30 116.25 119.14 3ht3 h VAL 448 Ca 0.29 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3ht3 h VAL 448 Cb 0.11 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3ht3 h VAL 448 CO -0.04 0.39 0.19 0.03 0.02 0.00 0.00 177.57 178.16 3ht3 h ARG 449 N 0.97 1.01 -0.35 1.57 3.08 -0.37 0.12 114.38 120.41 3ht3 h ARG 449 Ca 0.19 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3ht3 h ARG 449 Cb 0.45 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3ht3 h ARG 449 CO 0.01 0.88 0.15 0.87 -1.07 0.00 0.00 179.97 180.81 3ht3 h LYS 450 N 0.97 0.52 -0.66 0.04 1.57 -0.82 -0.38 116.57 117.81 3ht3 h LYS 450 Ca 0.21 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3ht3 h LYS 450 Cb 0.30 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3ht3 h LYS 450 CO -0.01 0.49 0.28 0.00 -0.57 0.00 0.00 179.45 179.64 3ht3 h ALA 451 N 1.00 0.85 -0.59 3.86 0.00 -0.75 -1.43 119.26 122.21 3ht3 h ALA 451 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ht3 h ALA 451 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ht3 h ALA 451 CO -0.01 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.83 3ht3 h ALA 452 N 1.12 0.78 -0.21 0.00 0.00 -0.65 -0.91 119.26 119.40 3ht3 h ALA 452 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ht3 h ALA 452 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ht3 h ALA 452 CO -0.02 0.50 0.11 0.00 0.00 0.00 0.00 179.25 179.84 3ht3 h ALA 453 N 1.03 0.25 -0.43 0.00 0.00 -0.77 -1.29 119.26 118.05 3ht3 h ALA 453 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3ht3 h ALA 453 Cb 0.37 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3ht3 h ALA 453 CO 0.01 -0.31 0.17 0.82 0.00 0.00 0.00 179.25 179.94 3ht3 h ILE 454 N 0.23 0.89 -0.50 0.00 2.04 -1.04 0.22 117.51 119.35 3ht3 h ILE 454 Ca 0.08 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3ht3 h ILE 454 Cb 0.01 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 3ht3 h ILE 454 CO -0.05 0.06 0.08 -0.25 0.00 0.00 0.00 178.15 177.99 3ht3 h TRP 455 N 0.35 0.12 0.00 1.37 2.91 -0.87 -2.18 115.95 117.66 3ht3 h TRP 455 Ca 0.20 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.10 3ht3 h TRP 455 Cb 0.17 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 3ht3 h TRP 455 CO -0.14 -0.03 -0.69 0.93 -1.03 0.00 0.00 178.44 177.48 3ht3 h GLU 456 N 0.21 0.00 0.00 2.65 4.39 -0.89 -3.35 114.58 117.59 3ht3 h GLU 456 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3ht3 h GLU 456 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ht3 h GLU 456 CO -0.35 0.69 -0.90 1.28 -1.16 0.00 0.00 179.01 178.57 3ht3 n LEU 457 N -3.37 0.78 -0.03 1.33 4.77 0.04 -4.34 117.00 116.18 3ht3 n LEU 457 Ca 0.01 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 3ht3 n LEU 457 Cb 0.78 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 3ht3 n LEU 457 CO 0.43 -0.12 0.67 -0.08 -1.33 0.00 0.00 177.39 176.95 3ht3 h GLU 458 N 0.00 -0.31 -0.14 3.23 4.81 -1.54 -1.50 114.58 119.12 3ht3 h GLU 458 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3ht3 h GLU 458 Cb 0.90 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3ht3 h GLU 458 CO 0.00 -0.21 0.06 -0.09 -0.73 0.00 0.00 179.01 178.04 3ht3 h ARG 459 N -0.33 0.21 -0.98 1.92 2.43 -1.83 -0.10 114.38 115.71 3ht3 h ARG 459 Ca 0.12 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3ht3 h ARG 459 Cb 0.51 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 3ht3 h ARG 459 CO -0.38 0.29 0.62 -1.35 -1.51 0.00 0.00 179.97 177.64 3ht3 h PRO 460 N 0.08 1.01 -0.21 0.20 0.11 -1.75 0.27 132.00 131.72 3ht3 h PRO 460 Ca 0.05 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3ht3 h PRO 460 Cb 0.16 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3ht3 h PRO 460 CO -0.00 0.67 -0.24 0.74 -0.21 0.00 0.00 178.00 178.95 3ht3 h PHE 461 N 1.04 0.65 -0.61 0.65 -1.00 -1.04 -2.46 116.94 114.16 3ht3 h PHE 461 Ca 0.46 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 60.98 3ht3 h PHE 461 Cb 0.34 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 3ht3 h PHE 461 CO -0.01 0.90 0.18 -0.07 -1.61 0.00 0.00 178.31 177.70 3ht3 h LEU 462 N 0.21 0.87 -0.62 1.54 3.38 -0.75 -0.85 115.31 119.09 3ht3 h LEU 462 Ca 0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ht3 h LEU 462 Cb 0.80 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3ht3 h LEU 462 CO 0.06 0.82 0.28 0.44 0.09 0.00 0.00 178.44 180.14 3ht3 h ASP 463 N 0.90 0.82 -0.19 -0.43 3.32 -0.89 0.17 116.42 120.12 3ht3 h ASP 463 Ca 0.20 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 3ht3 h ASP 463 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ht3 h ASP 463 CO -0.01 0.73 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.72 3ht3 h GLU 464 N 0.85 0.75 -0.42 3.56 4.81 -1.23 -1.17 114.58 121.73 3ht3 h GLU 464 Ca 0.21 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3ht3 h GLU 464 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3ht3 h GLU 464 CO -0.02 1.04 0.20 -0.07 -0.73 0.00 0.00 179.01 179.42 3ht3 h LEU 465 N 0.60 0.55 -0.33 1.64 3.38 -0.96 -1.28 115.31 118.91 3ht3 h LEU 465 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ht3 h LEU 465 Cb 1.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3ht3 h LEU 465 CO 0.10 0.53 0.19 -0.09 0.09 0.00 0.00 178.44 179.26 3ht3 h ARG 466 N 0.53 0.45 -0.76 1.13 9.65 -0.88 0.13 114.38 124.63 3ht3 h ARG 466 Ca 0.14 -0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.15 3ht3 h ARG 466 Cb 0.13 -0.09 -0.11 0.00 -1.39 0.00 0.00 29.97 28.50 3ht3 h ARG 466 CO -0.02 0.35 0.19 -0.09 2.80 0.00 0.00 179.97 183.20 3ht3 h ARG 467 N 0.42 0.26 0.00 0.20 2.43 -1.03 -0.81 114.38 115.85 3ht3 h ARG 467 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3ht3 h ARG 467 Cb 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3ht3 h ARG 467 CO -0.02 0.17 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 3ht3 n ASN 468 N -5.16 0.00 -3.65 -3.80 3.02 -0.50 -4.90 115.26 100.26 3ht3 n ASN 468 Ca 0.15 -0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 54.07 3ht3 n ASN 468 Cb 0.49 -0.19 0.06 0.00 -0.61 0.00 0.00 39.78 39.53 3ht3 n ASN 468 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ht3 n GLU 469 N -1.19 -6.33 -0.01 3.52 1.02 -0.31 -4.92 120.64 112.42 3ht3 n GLU 469 Ca 0.17 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 3ht3 n GLU 469 Cb 0.19 -5.62 0.01 0.00 -0.02 0.00 0.00 31.44 26.00 3ht3 n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ht3 n GLN 470 N -4.53 0.86 0.03 3.49 6.02 0.33 -4.78 117.38 118.80 3ht3 n GLN 470 Ca -0.14 -0.99 -0.06 0.00 -0.01 0.00 0.00 57.00 55.80 3ht3 n GLN 470 Cb 0.61 -1.02 0.12 0.00 1.02 0.00 0.00 30.24 30.98 3ht3 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3ht3 h ASP 471 N 0.13 0.47 0.73 1.08 2.03 -1.86 -2.32 116.42 116.68 3ht3 h ASP 471 Ca 0.00 -0.23 -0.17 0.00 -0.73 0.00 0.00 57.03 55.91 3ht3 h ASP 471 Cb 0.25 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.59 3ht3 h ASP 471 CO 0.00 0.87 -0.78 0.03 -1.03 0.00 0.00 179.24 178.34 3ht3 h ARG 472 N 0.35 0.03 -0.95 4.15 3.08 -1.92 -0.94 114.38 118.18 3ht3 h ARG 472 Ca 0.02 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.14 3ht3 h ARG 472 Cb 0.96 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 3ht3 h ARG 472 CO 0.08 0.79 0.59 1.25 -1.07 0.00 0.00 179.97 181.62 3ht3 h LEU 473 N 0.02 0.88 0.26 3.04 5.85 -1.77 0.19 115.31 123.79 3ht3 h LEU 473 Ca -0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ht3 h LEU 473 Cb 1.37 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3ht3 h LEU 473 CO 0.10 0.50 -0.13 0.25 -0.34 0.00 0.00 178.44 178.83 3ht3 h LEU 474 N 0.98 -0.30 0.00 2.25 5.85 -1.11 -1.08 115.31 121.89 3ht3 h LEU 474 Ca 0.45 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 3ht3 h LEU 474 Cb 0.38 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3ht3 h LEU 474 CO -0.24 0.18 -0.91 0.58 -0.34 0.00 0.00 178.44 177.71 3ht3 h VAL 475 N -0.92 1.49 0.00 1.05 2.07 -1.05 -0.23 116.25 118.65 3ht3 h VAL 475 Ca -0.04 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.36 3ht3 h VAL 475 Cb 0.50 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3ht3 h VAL 475 CO 0.06 0.85 -1.47 -0.62 0.02 0.00 0.00 177.57 176.40 3ht3 n GLU 476 N -3.31 0.66 0.00 1.57 1.02 0.66 -4.41 120.64 116.83 3ht3 n GLU 476 Ca -0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3ht3 n GLU 476 Cb 0.90 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 3ht3 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3ht3 n LEU 477 N -1.87 0.00 -0.17 -4.62 7.94 -1.15 -4.71 117.00 112.42 3ht3 n LEU 477 Ca -0.01 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3ht3 n LEU 477 Cb 0.42 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.38 3ht3 n LEU 477 CO 0.40 -0.49 1.02 -0.33 -1.11 0.00 0.00 177.39 176.88 3ht3 h GLU 478 N 0.00 0.70 -0.21 1.96 4.39 -1.17 -1.79 114.58 118.45 3ht3 h GLU 478 Ca 0.00 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3ht3 h GLU 478 Cb 0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3ht3 h GLU 478 CO 0.00 0.54 -0.06 1.96 -1.16 0.00 0.00 179.01 180.30 3ht3 h GLN 479 N 0.66 0.41 -0.38 2.33 4.20 -1.29 -1.37 115.11 119.68 3ht3 h GLN 479 Ca 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ht3 h GLN 479 Cb 0.05 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3ht3 h GLN 479 CO -0.03 0.66 0.24 -1.35 -0.67 0.00 0.00 178.83 177.68 3ht3 h PRO 480 N 0.14 0.50 -0.40 1.46 0.11 -1.76 -2.54 132.00 129.52 3ht3 h PRO 480 Ca 0.05 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3ht3 h PRO 480 Cb 0.51 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3ht3 h PRO 480 CO 0.02 0.34 -0.18 1.25 -0.21 0.00 0.00 178.00 179.22 3ht3 h LEU 481 N 0.51 0.76 -0.86 2.35 5.85 -1.01 -2.89 115.31 120.02 3ht3 h LEU 481 Ca 0.14 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.71 3ht3 h LEU 481 Cb -0.04 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 3ht3 h LEU 481 CO -0.03 0.94 0.49 -1.28 -0.34 0.00 0.00 178.44 178.22 3ht3 h SER 482 N 0.67 0.69 -0.37 1.25 0.87 -0.81 0.67 113.55 116.52 3ht3 h SER 482 Ca 0.10 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3ht3 h SER 482 Cb 0.68 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3ht3 h SER 482 CO 0.05 0.37 0.24 0.28 -0.53 0.00 0.00 176.83 177.24 3ht3 h SER 483 N 0.79 0.44 -0.13 6.23 0.02 -1.49 -1.06 113.55 118.36 3ht3 h SER 483 Ca 0.43 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3ht3 h SER 483 Cb 0.45 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ht3 h SER 483 CO -0.27 0.34 -0.01 0.40 -1.14 0.00 0.00 176.83 176.15 3ht3 h ILE 484 N 0.49 1.27 -0.84 3.27 2.04 -1.22 -2.54 117.51 119.97 3ht3 h ILE 484 Ca 0.13 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.18 3ht3 h ILE 484 Cb -0.03 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3ht3 h ILE 484 CO -0.03 0.25 0.55 -0.07 0.00 0.00 0.00 178.15 178.86 3ht3 h LEU 485 N -0.06 0.83 -0.75 1.44 3.38 -0.85 -1.99 115.31 117.31 3ht3 h LEU 485 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ht3 h LEU 485 Cb 0.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3ht3 h LEU 485 CO 0.01 0.54 0.48 0.00 0.09 0.00 0.00 178.44 179.56 3ht3 h ALA 486 N 1.54 0.97 -0.65 1.53 0.00 -0.83 -0.17 119.26 121.65 3ht3 h ALA 486 Ca 0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3ht3 h ALA 486 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ht3 h ALA 486 CO -0.13 0.31 0.08 0.93 0.00 0.00 0.00 179.25 180.44 3ht3 h GLU 487 N 0.96 1.09 -0.22 0.00 5.08 -1.07 -1.72 114.58 118.70 3ht3 h GLU 487 Ca 0.29 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ht3 h GLU 487 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3ht3 h GLU 487 CO -0.09 1.02 0.10 0.52 -1.00 0.00 0.00 179.01 179.55 3ht3 h MET 488 N 1.00 0.33 -0.40 2.33 2.86 -0.64 -1.49 114.93 118.93 3ht3 h MET 488 Ca 0.19 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3ht3 h MET 488 Cb 0.48 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3ht3 h MET 488 CO 0.02 0.37 0.16 0.93 1.06 0.00 0.00 176.91 179.45 3ht3 h GLU 489 N 0.21 0.59 -0.45 1.72 5.08 -0.95 -1.81 114.58 118.97 3ht3 h GLU 489 Ca 0.07 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3ht3 h GLU 489 Cb 0.16 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3ht3 h GLU 489 CO -0.01 0.56 0.00 0.35 -1.00 0.00 0.00 179.01 178.91 3ht3 h PHE 490 N 0.49 0.87 -0.43 4.33 3.57 -1.26 -2.97 116.94 121.55 3ht3 h PHE 490 Ca 0.13 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ht3 h PHE 490 Cb 0.19 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3ht3 h PHE 490 CO -0.00 0.84 0.28 0.00 -2.23 0.00 0.00 178.31 177.20 3ht3 h ALA 491 N 0.91 0.55 -0.83 2.41 0.00 -1.23 -3.49 119.26 117.58 3ht3 h ALA 491 Ca 0.13 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3ht3 h ALA 491 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ht3 h ALA 491 CO 0.02 0.02 -0.13 0.41 0.00 0.00 0.00 179.25 179.57 3ht3 n GLY 492 N -1.16 -2.14 3.15 0.00 0.00 -0.69 -4.92 105.19 99.44 3ht3 n GLY 492 Ca 0.01 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 3ht3 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ht3 s VAL 493 N -1.20 1.49 0.09 1.61 1.01 -0.58 -4.94 120.40 117.89 3ht3 s VAL 493 Ca 0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 3ht3 s VAL 493 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 3ht3 s VAL 493 CO 0.00 0.43 0.64 -0.75 0.00 0.00 0.00 175.10 175.42 3ht3 s LYS 494 N -0.02 4.33 -0.04 2.72 2.20 -1.25 -0.86 119.74 126.83 3ht3 s LYS 494 Ca -0.03 0.88 0.04 0.00 -0.36 0.00 0.00 55.97 56.50 3ht3 s LYS 494 Cb -0.11 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3ht3 s LYS 494 CO 0.02 0.58 -0.17 0.08 -0.36 0.00 0.00 175.35 175.50 3ht3 s VAL 495 N -1.00 1.44 -1.00 4.02 1.01 -0.42 -1.43 120.40 123.02 3ht3 s VAL 495 Ca 0.32 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 3ht3 s VAL 495 Cb -0.21 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.02 3ht3 s VAL 495 CO 0.21 0.41 1.34 -0.62 0.00 0.00 0.00 175.10 176.45 3ht3 s ASP 496 N 0.03 6.57 0.26 3.32 -1.08 0.81 -4.85 116.67 121.74 3ht3 s ASP 496 Ca -0.04 -1.75 0.02 0.00 -0.52 0.00 0.00 52.55 50.27 3ht3 s ASP 496 Cb -0.11 -2.50 0.34 0.00 -1.46 0.00 0.00 42.92 39.18 3ht3 s ASP 496 CO 0.02 -1.31 1.66 0.71 0.52 0.00 0.00 175.17 176.77 3ht3 h THR 497 N 6.34 1.30 -0.57 1.71 1.35 -1.93 -2.38 112.91 118.73 3ht3 h THR 497 Ca 0.20 -1.49 0.10 0.00 -0.55 0.00 0.00 66.41 64.67 3ht3 h THR 497 Cb 1.01 1.55 -0.08 0.00 -1.73 0.00 0.00 68.15 68.90 3ht3 h THR 497 CO 1.31 0.46 0.12 0.11 -0.25 0.00 0.00 175.52 177.27 3ht3 h LYS 498 N 0.37 0.25 -0.42 4.72 1.57 -1.98 0.36 116.57 121.44 3ht3 h LYS 498 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3ht3 h LYS 498 Cb 0.82 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3ht3 h LYS 498 CO 0.07 0.16 0.16 -0.09 -0.57 0.00 0.00 179.45 179.18 3ht3 h ARG 499 N 0.26 0.63 -0.76 3.15 2.43 -1.85 0.37 114.38 118.60 3ht3 h ARG 499 Ca 0.29 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3ht3 h ARG 499 Cb 0.42 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3ht3 h ARG 499 CO -0.38 0.59 0.34 -0.07 -1.51 0.00 0.00 179.97 178.94 3ht3 h LEU 500 N 0.53 1.02 -0.95 3.80 4.07 -1.03 -0.48 115.31 122.27 3ht3 h LEU 500 Ca 0.14 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 3ht3 h LEU 500 Cb 0.20 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 3ht3 h LEU 500 CO -0.01 0.89 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.80 3ht3 h GLU 501 N 1.09 0.64 -0.04 1.13 5.08 0.10 0.46 114.58 123.03 3ht3 h GLU 501 Ca 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3ht3 h GLU 501 Cb 0.17 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ht3 h GLU 501 CO -0.03 0.74 -0.01 0.37 -1.00 0.00 0.00 179.01 179.08 3ht3 h GLN 502 N 0.58 0.08 -0.49 2.33 5.75 -0.57 -2.18 115.11 120.61 3ht3 h GLN 502 Ca 0.10 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.67 3ht3 h GLN 502 Cb 0.54 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 3ht3 h GLN 502 CO 0.03 0.42 -0.02 0.52 -2.65 0.00 0.00 178.83 177.14 3ht3 h MET 503 N -0.27 0.09 -0.69 1.69 2.86 -0.92 -1.92 114.93 115.77 3ht3 h MET 503 Ca 0.01 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3ht3 h MET 503 Cb 0.39 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 3ht3 h MET 503 CO 0.00 0.06 0.34 0.78 1.06 0.00 0.00 176.91 179.15 3ht3 h GLY 504 N 0.10 1.03 0.96 8.32 0.00 -0.84 0.49 103.07 113.12 3ht3 h GLY 504 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3ht3 h GLY 504 CO -0.43 0.06 -0.10 1.70 0.00 0.00 0.00 176.54 177.78 3ht3 h LYS 505 N 0.58 -0.24 -0.92 4.80 1.63 -0.84 -1.98 116.57 119.61 3ht3 h LYS 505 Ca 0.34 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.16 3ht3 h LYS 505 Cb 0.35 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 3ht3 h LYS 505 CO -0.26 -0.16 0.60 0.93 -3.45 0.00 0.00 179.45 177.10 3ht3 h GLU 506 N -0.25 1.22 -0.73 1.90 5.08 -1.01 -2.86 114.58 117.94 3ht3 h GLU 506 Ca -0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3ht3 h GLU 506 Cb 0.20 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3ht3 h GLU 506 CO 0.02 0.82 0.22 -0.07 -1.00 0.00 0.00 179.01 179.00 3ht3 h LEU 507 N 1.25 1.06 -0.96 1.33 4.07 -0.79 -2.40 115.31 118.87 3ht3 h LEU 507 Ca 0.34 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 58.11 3ht3 h LEU 507 Cb -0.12 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.29 3ht3 h LEU 507 CO -0.07 0.98 0.64 0.00 -1.08 0.00 0.00 178.44 178.91 3ht3 h ALA 508 N 1.15 1.24 0.09 1.53 0.00 -1.14 0.28 119.26 122.42 3ht3 h ALA 508 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ht3 h ALA 508 Cb 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ht3 h ALA 508 CO -0.01 0.59 -0.05 0.93 0.00 0.00 0.00 179.25 180.72 3ht3 h GLU 509 N 1.28 -0.12 -0.52 0.00 5.08 -1.35 -2.24 114.58 116.72 3ht3 h GLU 509 Ca 0.36 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 3ht3 h GLU 509 Cb -0.11 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3ht3 h GLU 509 CO -0.09 -0.06 -0.02 0.37 -1.00 0.00 0.00 179.01 178.21 3ht3 h GLN 510 N -0.15 0.94 -0.46 2.33 4.15 -1.02 -2.15 115.11 118.75 3ht3 h GLN 510 Ca -0.01 -0.31 0.06 0.00 0.77 0.00 0.00 58.65 59.16 3ht3 h GLN 510 Cb 0.12 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 3ht3 h GLN 510 CO 0.02 0.97 0.15 -0.07 -1.93 0.00 0.00 178.83 177.96 3ht3 h LEU 511 N 0.81 0.13 -0.48 -2.39 4.07 -0.44 -0.46 115.31 116.54 3ht3 h LEU 511 Ca 0.15 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.19 3ht3 h LEU 511 Cb 0.56 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 3ht3 h LEU 511 CO 0.03 0.10 0.27 1.23 -1.08 0.00 0.00 178.44 179.00 3ht3 h GLY 512 N 0.31 0.68 0.95 0.83 0.00 -1.11 0.15 103.07 104.88 3ht3 h GLY 512 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3ht3 h GLY 512 CO -0.24 0.16 -0.16 -0.84 0.00 0.00 0.00 176.54 175.46 3ht3 h THR 513 N 0.54 0.69 -0.86 4.70 2.02 -0.98 -2.12 112.91 116.89 3ht3 h THR 513 Ca 0.20 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3ht3 h THR 513 Cb 0.06 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3ht3 h THR 513 CO -0.11 0.02 0.45 0.58 0.37 0.00 0.00 175.52 176.83 3ht3 h VAL 514 N -0.49 1.26 -0.31 3.16 2.07 -1.00 -2.17 116.25 118.77 3ht3 h VAL 514 Ca -0.04 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3ht3 h VAL 514 Cb 0.37 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3ht3 h VAL 514 CO 0.07 0.30 0.17 -0.08 0.02 0.00 0.00 177.57 178.05 3ht3 h GLU 515 N 1.22 0.34 -0.35 1.57 4.81 -0.83 -0.01 114.58 121.32 3ht3 h GLU 515 Ca 0.30 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3ht3 h GLU 515 Cb 0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ht3 h GLU 515 CO -0.04 0.22 -0.31 1.96 -0.73 0.00 0.00 179.01 180.11 3ht3 h GLN 516 N 0.35 0.77 -0.55 1.92 1.08 -1.22 -1.34 115.11 116.12 3ht3 h GLN 516 Ca 0.12 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 3ht3 h GLN 516 Cb 0.02 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3ht3 h GLN 516 CO -0.07 0.97 0.20 -0.09 -0.95 0.00 0.00 178.83 178.89 3ht3 h ARG 517 N 0.65 0.80 -0.43 1.46 9.65 -1.17 0.38 114.38 125.72 3ht3 h ARG 517 Ca 0.07 -0.13 -0.14 0.00 -1.10 0.00 0.00 59.98 58.68 3ht3 h ARG 517 Cb 0.84 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 3ht3 h ARG 517 CO 0.07 0.67 -0.30 0.82 2.80 0.00 0.00 179.97 184.04 3ht3 h ILE 518 N 0.79 1.27 -0.04 1.20 2.04 -0.68 -2.06 117.51 120.03 3ht3 h ILE 518 Ca 0.19 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 3ht3 h ILE 518 Cb 0.19 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3ht3 h ILE 518 CO -0.01 0.50 -0.39 1.88 0.00 0.00 0.00 178.15 180.12 3ht3 h TYR 519 N 0.79 0.08 -0.13 1.37 0.05 -0.80 -1.18 116.97 117.16 3ht3 h TYR 519 Ca 0.09 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 3ht3 h TYR 519 Cb 0.88 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 3ht3 h TYR 519 CO 0.06 0.45 -0.06 1.49 -1.05 0.00 0.00 178.16 179.05 3ht3 h GLU 520 N 0.06 0.27 0.00 4.88 4.81 -0.75 0.16 114.58 124.01 3ht3 h GLU 520 Ca 0.00 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3ht3 h GLU 520 Cb 0.72 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3ht3 h GLU 520 CO 0.05 0.60 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.35 3ht3 h LEU 521 N -0.07 0.00 0.00 1.64 3.38 -1.33 -2.77 115.31 116.16 3ht3 h LEU 521 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ht3 h LEU 521 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3ht3 h LEU 521 CO 0.02 0.52 -0.52 0.00 0.09 0.00 0.00 178.44 178.54 3ht3 h ALA 522 N 1.48 0.68 -0.41 1.53 0.00 -1.20 -3.48 119.26 117.87 3ht3 h ALA 522 Ca -0.01 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3ht3 h ALA 522 Cb 1.09 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3ht3 h ALA 522 CO 0.07 0.62 -0.16 0.41 0.00 0.00 0.00 179.25 180.19 3ht3 n GLY 523 N 1.23 0.95 3.26 0.00 0.00 0.54 -4.97 105.19 106.20 3ht3 n GLY 523 Ca 0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 3ht3 n GLY 523 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ht3 s GLN 524 N -2.47 0.87 -0.08 1.61 0.74 -1.01 -5.02 119.66 114.29 3ht3 s GLN 524 Ca 0.00 -0.58 -0.08 0.00 0.05 0.00 0.00 55.36 54.75 3ht3 s GLN 524 Cb 0.00 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 3ht3 s GLN 524 CO 0.00 -0.29 0.21 -1.21 -0.55 0.00 0.00 175.29 173.44 3ht3 s GLU 525 N -2.92 3.54 0.27 1.67 2.02 -1.26 -4.45 118.70 117.57 3ht3 s GLU 525 Ca -0.02 -0.03 -0.21 0.00 0.02 0.00 0.00 54.97 54.72 3ht3 s GLU 525 Cb 0.00 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 31.09 3ht3 s GLU 525 CO -0.06 0.74 0.79 -0.59 0.02 0.00 0.00 175.26 176.17 3ht3 s PHE 526 N -1.08 -0.12 -0.60 1.61 -0.71 -1.26 -5.11 117.98 110.71 3ht3 s PHE 526 Ca 0.19 -0.34 -0.25 0.00 -1.04 0.00 0.00 56.93 55.49 3ht3 s PHE 526 Cb -0.13 0.71 0.05 0.00 -1.21 0.00 0.00 43.02 42.44 3ht3 s PHE 526 CO 0.08 -1.19 1.01 1.21 -1.34 0.00 0.00 175.22 174.98 3ht3 s ASN 527 N -2.96 6.29 0.45 1.98 2.47 -1.26 -4.89 114.94 117.02 3ht3 s ASN 527 Ca 0.12 -0.46 0.15 0.00 0.42 0.00 0.00 52.86 53.10 3ht3 s ASN 527 Cb -0.05 -2.46 1.03 0.00 -1.45 0.00 0.00 41.25 38.33 3ht3 s ASN 527 CO 0.07 -1.37 2.00 0.40 -3.72 0.00 0.00 177.10 174.47 3ht3 h ILE 528 N 6.02 1.09 0.00 -5.21 2.04 -1.99 -1.30 117.51 118.17 3ht3 h ILE 528 Ca -0.27 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3ht3 h ILE 528 Cb 1.07 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3ht3 h ILE 528 CO 1.14 0.17 0.00 0.59 0.00 0.00 0.00 178.15 180.06 3ht3 n ASN 529 N -4.28 0.00 -4.26 1.72 3.02 -1.26 -4.44 115.26 105.76 3ht3 n ASN 529 Ca -0.02 -1.24 -0.43 0.00 -0.03 0.00 0.00 54.58 52.86 3ht3 n ASN 529 Cb 0.24 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3ht3 n ASN 529 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ht3 s SER 530 N -1.70 5.96 0.44 6.41 0.15 -0.49 -4.94 113.70 119.52 3ht3 s SER 530 Ca 0.30 -1.88 0.22 0.00 0.70 0.00 0.00 55.95 55.30 3ht3 s SER 530 Cb 0.14 -2.11 1.20 0.00 -1.71 0.00 0.00 66.02 63.54 3ht3 s SER 530 CO 0.24 -0.77 1.80 -0.65 1.20 0.00 0.00 173.24 175.06 3ht3 h PRO 531 N 8.64 0.29 -0.02 5.44 0.11 -1.84 0.67 132.00 145.30 3ht3 h PRO 531 Ca -0.25 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ht3 h PRO 531 Cb 1.08 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ht3 h PRO 531 CO 0.95 0.19 0.00 -0.22 -0.21 0.00 0.00 178.00 178.71 3ht3 h LYS 532 N 0.30 0.04 -0.46 1.05 3.64 -1.92 -0.41 116.57 118.81 3ht3 h LYS 532 Ca 0.55 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.83 3ht3 h LYS 532 Cb 1.57 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 3ht3 h LYS 532 CO -0.20 0.29 -0.06 1.96 -2.27 0.00 0.00 179.45 179.16 3ht3 h GLN 533 N -0.22 0.79 -0.68 1.90 4.20 -1.59 -2.43 115.11 117.09 3ht3 h GLN 533 Ca 0.01 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 3ht3 h GLN 533 Cb 0.27 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3ht3 h GLN 533 CO 0.00 0.84 0.18 1.25 -0.67 0.00 0.00 178.83 180.43 3ht3 h LEU 534 N 0.73 1.02 -0.83 1.46 5.85 -0.88 -2.69 115.31 119.96 3ht3 h LEU 534 Ca 0.13 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3ht3 h LEU 534 Cb 0.53 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ht3 h LEU 534 CO 0.03 0.98 0.50 1.23 -0.34 0.00 0.00 178.44 180.84 3ht3 h GLY 535 N 1.01 1.20 0.75 3.75 0.00 -0.82 0.13 103.07 109.08 3ht3 h GLY 535 Ca 0.21 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3ht3 h GLY 535 CO -0.00 0.48 0.06 -2.08 0.00 0.00 0.00 176.54 175.01 3ht3 h VAL 536 N 1.13 0.90 0.26 4.60 2.07 -1.37 0.77 116.25 124.61 3ht3 h VAL 536 Ca 0.30 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 3ht3 h VAL 536 Cb -0.04 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3ht3 h VAL 536 CO -0.06 0.03 -0.15 0.40 0.02 0.00 0.00 177.57 177.82 3ht3 h ILE 537 N 0.17 0.69 -0.30 4.57 1.08 -1.10 -0.54 117.51 122.08 3ht3 h ILE 537 Ca 0.11 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.48 3ht3 h ILE 537 Cb 0.10 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3ht3 h ILE 537 CO -0.14 0.00 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.05 3ht3 h LEU 538 N -0.38 0.70 0.00 1.44 3.38 -0.89 0.49 115.31 120.05 3ht3 h LEU 538 Ca -0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ht3 h LEU 538 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ht3 h LEU 538 CO 0.04 0.99 -1.05 0.49 0.09 0.00 0.00 178.44 178.99 3ht3 n PHE 539 N -4.33 0.00 -0.04 1.13 3.72 0.25 -0.87 117.46 117.31 3ht3 n PHE 539 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 3ht3 n PHE 539 Cb 0.42 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 3ht3 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ht3 n GLU 540 N -1.58 0.18 0.05 -1.08 1.02 -0.33 -4.19 120.64 114.71 3ht3 n GLU 540 Ca 0.01 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 3ht3 n GLU 540 Cb 0.31 -0.83 -0.11 0.00 -0.02 0.00 0.00 31.44 30.79 3ht3 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ht3 h LYS 541 N -0.29 0.66 -0.02 3.49 3.64 -0.92 -3.32 116.57 119.81 3ht3 h LYS 541 Ca -0.22 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.42 3ht3 h LYS 541 Cb 1.20 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3ht3 h LYS 541 CO -0.13 1.32 -0.36 1.28 -2.27 0.00 0.00 179.45 179.30 3ht3 n LEU 542 N -3.88 2.27 -4.18 5.20 4.77 0.14 -4.98 117.00 116.34 3ht3 n LEU 542 Ca -0.12 -0.82 -0.32 0.00 -0.03 0.00 0.00 56.01 54.72 3ht3 n LEU 542 Cb 0.89 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 3ht3 n LEU 542 CO 0.56 0.41 -0.18 0.00 -1.33 0.00 0.00 177.39 176.84 3ht3 n GLN 543 N 0.32 -2.61 -2.13 3.23 6.02 -1.14 -4.94 117.38 116.13 3ht3 n GLN 543 Ca 0.10 0.31 -0.33 0.00 -0.01 0.00 0.00 57.00 57.08 3ht3 n GLN 543 Cb 0.50 -4.62 0.00 0.00 1.02 0.00 0.00 30.24 27.14 3ht3 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ht3 s LEU 544 N -7.19 3.54 0.38 1.08 1.02 -0.05 -4.98 118.68 112.47 3ht3 s LEU 544 Ca 0.38 1.77 -0.27 0.00 0.02 0.00 0.00 54.13 56.03 3ht3 s LEU 544 Cb -0.21 -4.53 -0.10 0.00 0.02 0.00 0.00 46.19 41.37 3ht3 s LEU 544 CO 0.94 -1.04 1.37 -2.84 0.02 0.00 0.00 176.35 174.79 3ht3 s PRO 545 N -4.04 4.10 -0.63 1.29 0.02 -1.26 -4.58 135.00 129.90 3ht3 s PRO 545 Ca 0.63 2.31 -0.22 0.00 0.02 0.00 0.00 61.00 63.75 3ht3 s PRO 545 Cb -0.15 -2.90 0.08 0.00 0.02 0.00 0.00 34.50 31.55 3ht3 s PRO 545 CO 0.35 -0.44 0.88 0.08 -0.33 0.00 0.00 177.00 177.54 3ht3 s VAL 546 N -1.18 4.47 0.04 3.83 1.01 -1.26 -4.90 120.40 122.42 3ht3 s VAL 546 Ca 0.54 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3ht3 s VAL 546 Cb -0.41 -4.61 -0.24 0.00 0.00 0.00 0.00 36.38 31.11 3ht3 s VAL 546 CO 0.55 -1.33 1.00 -0.07 0.00 0.00 0.00 175.10 175.25 3ht3 h LEU 547 N 10.92 0.18 -7.43 3.92 3.38 -1.92 -3.46 115.31 120.90 3ht3 h LEU 547 Ca -0.29 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.23 3ht3 h LEU 547 Cb 1.08 -0.06 -0.30 0.00 0.09 0.00 0.00 40.66 41.47 3ht3 h LEU 547 CO 1.15 1.20 -0.54 -0.75 0.09 0.00 0.00 178.44 179.58 3ht3 s LYS 548 N -2.65 0.16 -0.19 1.13 2.20 -1.26 -5.11 119.74 114.02 3ht3 s LYS 548 Ca -0.04 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 3ht3 s LYS 548 Cb 0.08 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3ht3 s LYS 548 CO 0.84 -0.14 -0.09 0.15 -0.36 0.00 0.00 175.35 175.75 3ht3 s LYS 549 N 0.99 3.31 0.77 4.03 1.02 -1.26 -1.42 119.74 127.18 3ht3 s LYS 549 Ca -0.07 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 3ht3 s LYS 549 Cb -0.09 -2.84 0.13 0.00 -0.52 0.00 0.00 37.83 34.51 3ht3 s LYS 549 CO -0.06 -0.10 1.07 0.95 -0.92 0.00 0.00 175.35 176.30 3ht3 s THR 550 N 1.16 2.16 0.50 2.17 -4.23 0.37 -4.95 115.64 112.82 3ht3 s THR 550 Ca 0.02 -0.38 0.33 0.00 -1.18 0.00 0.00 61.69 60.48 3ht3 s THR 550 Cb -0.14 -2.78 0.33 0.00 1.34 0.00 0.00 72.50 71.25 3ht3 s THR 550 CO -0.03 0.00 2.01 0.07 -0.54 0.00 0.00 174.62 176.13 3ht3 h LYS 551 N -0.80 0.00 0.00 3.99 2.10 -2.02 -2.96 116.57 116.88 3ht3 h LYS 551 Ca -0.40 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 57.96 3ht3 h LYS 551 Cb 1.27 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.55 3ht3 h LYS 551 CO 0.44 0.00 -2.07 0.25 -2.00 0.00 0.00 179.45 176.07 3ht3 n THR 552 N -2.81 1.08 0.00 0.07 -2.24 -1.26 -5.13 114.28 104.00 3ht3 n THR 552 Ca -0.02 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3ht3 n THR 552 Cb 0.21 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 3ht3 n THR 552 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ht3 n GLY 553 N 2.30 -0.96 3.72 3.38 0.00 -1.12 -5.14 105.19 107.37 3ht3 n GLY 553 Ca -0.29 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 3ht3 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ht3 s TYR 554 N -4.00 3.57 0.26 1.61 4.12 -1.26 -0.48 117.35 121.17 3ht3 s TYR 554 Ca 0.00 1.24 -0.29 0.00 0.02 0.00 0.00 57.07 58.03 3ht3 s TYR 554 Cb 0.00 -2.80 -0.09 0.00 -1.52 0.00 0.00 41.96 37.55 3ht3 s TYR 554 CO 0.00 0.09 1.19 0.45 0.02 0.00 0.00 175.55 177.29 3ht3 s SER 555 N 0.80 7.09 -0.16 2.29 0.15 -0.50 -4.88 113.70 118.47 3ht3 s SER 555 Ca 0.37 2.36 0.14 0.00 0.70 0.00 0.00 55.95 59.52 3ht3 s SER 555 Cb -0.18 -2.62 0.42 0.00 -1.71 0.00 0.00 66.02 61.93 3ht3 s SER 555 CO 0.18 -0.32 1.21 0.35 1.20 0.00 0.00 173.24 175.86 3ht3 n THR 556 N 1.59 1.72 -0.83 6.45 -2.24 -1.26 -4.83 114.28 114.88 3ht3 n THR 556 Ca 0.01 -2.74 -0.31 0.00 -2.27 0.00 0.00 64.05 58.75 3ht3 n THR 556 Cb 0.44 0.03 0.16 0.00 -2.10 0.00 0.00 70.33 68.86 3ht3 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ht3 s SER 557 N -2.96 3.05 0.30 3.42 1.04 -1.26 -4.65 113.70 112.63 3ht3 s SER 557 Ca 0.37 1.99 0.02 0.00 0.48 0.00 0.00 55.95 58.81 3ht3 s SER 557 Cb 0.37 -2.50 0.59 0.00 0.10 0.00 0.00 66.02 64.59 3ht3 s SER 557 CO -0.09 -2.99 1.85 0.00 0.98 0.00 0.00 173.24 172.99 3ht3 h ALA 558 N -1.79 1.57 -0.30 5.32 0.00 -1.99 -0.52 119.26 121.55 3ht3 h ALA 558 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3ht3 h ALA 558 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ht3 h ALA 558 CO 0.45 0.19 0.15 -0.44 0.00 0.00 0.00 179.25 179.60 3ht3 h ASP 559 N 0.95 0.40 -0.31 0.00 5.19 -1.98 -1.57 116.42 119.10 3ht3 h ASP 559 Ca 0.48 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 3ht3 h ASP 559 Cb 0.51 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3ht3 h ASP 559 CO -0.25 0.41 0.15 0.58 -3.12 0.00 0.00 179.24 177.01 3ht3 h VAL 560 N 0.36 1.16 -0.92 -1.35 2.07 -1.72 -2.50 116.25 113.34 3ht3 h VAL 560 Ca 0.10 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3ht3 h VAL 560 Cb 0.12 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3ht3 h VAL 560 CO -0.01 0.16 0.61 -0.07 0.02 0.00 0.00 177.57 178.28 3ht3 h LEU 561 N 0.37 1.02 -0.63 2.57 4.07 -0.99 -1.59 115.31 120.13 3ht3 h LEU 561 Ca 0.11 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.95 3ht3 h LEU 561 Cb 0.12 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3ht3 h LEU 561 CO -0.01 0.72 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.72 3ht3 h GLU 562 N 1.19 1.06 0.00 1.13 5.08 -1.17 -2.43 114.58 119.45 3ht3 h GLU 562 Ca 0.35 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ht3 h GLU 562 Cb -0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3ht3 h GLU 562 CO -0.09 1.04 0.00 0.87 -1.00 0.00 0.00 179.01 179.83 3ht3 h LYS 563 N 0.97 0.00 -0.01 2.33 1.57 -0.95 -2.45 116.57 118.03 3ht3 h LYS 563 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ht3 h LYS 563 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3ht3 h LYS 563 CO 0.03 0.00 -0.26 1.28 -0.57 0.00 0.00 179.45 179.93 3ht3 n LEU 564 N -2.78 1.18 0.12 2.94 4.77 -0.66 -4.40 117.00 118.18 3ht3 n LEU 564 Ca 0.01 -0.34 0.10 0.00 -0.03 0.00 0.00 56.01 55.75 3ht3 n LEU 564 Cb 0.25 -0.10 0.60 0.00 -2.33 0.00 0.00 43.42 41.84 3ht3 n LEU 564 CO 0.24 0.22 1.12 0.00 -1.33 0.00 0.00 177.39 177.64 3ht3 h ALA 565 N 3.76 2.06 0.00 -1.18 0.00 -1.29 -0.15 119.26 122.46 3ht3 h ALA 565 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ht3 h ALA 565 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ht3 h ALA 565 CO 0.00 -0.11 0.00 -2.30 0.00 0.00 0.00 179.25 176.84 3ht3 n PRO 566 N -4.49 0.15 -0.08 0.00 -0.02 -1.26 -3.71 135.00 125.59 3ht3 n PRO 566 Ca 0.02 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 3ht3 n PRO 566 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.10 3ht3 n PRO 566 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ht3 n TYR 567 N -1.35 0.00 -3.63 6.00 4.02 -0.08 -5.03 117.16 117.09 3ht3 n TYR 567 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.83 3ht3 n TYR 567 Cb 0.14 -0.76 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 3ht3 n TYR 567 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3ht3 s HIS 568 N -2.38 -0.82 0.37 -0.72 2.46 -1.17 -5.04 115.29 107.99 3ht3 s HIS 568 Ca -0.14 1.92 0.26 0.00 0.47 0.00 0.00 55.06 57.57 3ht3 s HIS 568 Cb 0.05 0.34 1.33 0.00 -0.13 0.00 0.00 32.58 34.17 3ht3 s HIS 568 CO 0.57 -0.40 2.02 1.05 -2.47 0.00 0.00 174.74 175.52 3ht3 h GLU 569 N 5.31 0.00 -0.92 2.88 4.11 -1.90 -3.24 114.58 120.81 3ht3 h GLU 569 Ca -0.29 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.33 3ht3 h GLU 569 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3ht3 h GLU 569 CO 0.07 0.15 0.60 0.97 0.07 0.00 0.00 179.01 180.87 3ht3 h ILE 570 N 0.00 0.70 -0.19 -1.06 2.10 -1.95 -2.14 117.51 114.97 3ht3 h ILE 570 Ca -0.00 -0.18 -0.04 0.00 1.08 0.00 0.00 64.86 65.72 3ht3 h ILE 570 Cb 0.41 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.27 3ht3 h ILE 570 CO 0.02 0.09 -0.06 -0.37 -1.08 0.00 0.00 178.15 176.75 3ht3 h VAL 571 N 0.52 1.16 -0.72 2.19 -1.51 -1.90 0.04 116.25 116.02 3ht3 h VAL 571 Ca 0.49 -0.64 -0.05 0.00 -1.23 0.00 0.00 66.70 65.26 3ht3 h VAL 571 Cb 1.06 1.08 -0.03 0.00 -2.13 0.00 0.00 31.29 31.27 3ht3 h VAL 571 CO -0.22 0.21 0.24 -0.33 -1.23 0.00 0.00 177.57 176.23 3ht3 h GLU 572 N 0.27 1.11 -0.46 5.19 3.07 -1.64 -1.67 114.58 120.45 3ht3 h GLU 572 Ca 0.06 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.60 3ht3 h GLU 572 Cb 0.29 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3ht3 h GLU 572 CO 0.01 0.94 -0.08 -0.91 -1.40 0.00 0.00 179.01 177.57 3ht3 h ASN 573 N 1.07 0.87 -0.36 1.42 2.35 -1.11 -1.93 115.58 117.89 3ht3 h ASN 573 Ca 0.24 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3ht3 h ASN 573 Cb 0.28 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3ht3 h ASN 573 CO -0.01 1.02 0.21 0.40 -1.65 0.00 0.00 177.43 177.40 3ht3 h ILE 574 N 0.71 1.12 -0.67 2.81 2.04 -1.00 0.14 117.51 122.67 3ht3 h ILE 574 Ca 0.12 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3ht3 h ILE 574 Cb 0.62 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3ht3 h ILE 574 CO 0.04 0.12 0.42 -0.07 0.00 0.00 0.00 178.15 178.67 3ht3 h LEU 575 N 0.46 0.70 -0.19 1.44 3.38 -1.26 -0.58 115.31 119.27 3ht3 h LEU 575 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ht3 h LEU 575 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ht3 h LEU 575 CO -0.02 0.49 0.08 -0.74 0.09 0.00 0.00 178.44 178.34 3ht3 h HIS 576 N 0.84 0.29 -0.39 1.13 2.76 -1.08 -2.15 115.15 116.55 3ht3 h HIS 576 Ca 0.27 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.48 3ht3 h HIS 576 Cb -0.00 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 3ht3 h HIS 576 CO -0.04 0.33 0.06 -0.92 -1.30 0.00 0.00 177.93 176.05 3ht3 h TYR 577 N 0.17 0.08 -0.34 5.26 3.20 -0.34 -1.63 116.97 123.37 3ht3 h TYR 577 Ca 0.07 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3ht3 h TYR 577 Cb 0.16 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3ht3 h TYR 577 CO -0.02 -0.01 0.05 0.00 -1.64 0.00 0.00 178.16 176.54 3ht3 h ARG 578 N 0.17 0.50 -0.11 1.82 3.08 -1.02 0.18 114.38 119.01 3ht3 h ARG 578 Ca 0.19 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3ht3 h ARG 578 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ht3 h ARG 578 CO -0.27 0.49 -0.33 1.96 -1.07 0.00 0.00 179.97 180.76 3ht3 h GLN 579 N 0.49 0.41 -0.59 0.04 4.20 -0.95 -1.38 115.11 117.33 3ht3 h GLN 579 Ca 0.11 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 3ht3 h GLN 579 Cb 0.24 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3ht3 h GLN 579 CO 0.00 0.92 0.27 -0.07 -0.67 0.00 0.00 178.83 179.28 3ht3 h LEU 580 N -0.03 0.79 -1.02 1.46 3.38 -1.17 -2.85 115.31 115.88 3ht3 h LEU 580 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ht3 h LEU 580 Cb 0.95 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3ht3 h LEU 580 CO 0.07 0.72 0.56 1.23 0.09 0.00 0.00 178.44 181.11 3ht3 h GLY 581 N 0.81 1.32 0.90 0.83 0.00 -0.58 -1.77 103.07 104.58 3ht3 h GLY 581 Ca 0.20 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3ht3 h GLY 581 CO -0.02 0.52 0.09 1.70 0.00 0.00 0.00 176.54 178.83 3ht3 h LYS 582 N 1.26 0.41 -0.51 4.80 1.63 -1.23 -1.62 116.57 121.31 3ht3 h LYS 582 Ca 0.33 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.11 3ht3 h LYS 582 Cb -0.07 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 3ht3 h LYS 582 CO -0.06 0.46 0.21 -0.07 -3.45 0.00 0.00 179.45 176.54 3ht3 h LEU 583 N 0.28 0.26 0.74 5.20 3.38 -1.20 -1.47 115.31 122.49 3ht3 h LEU 583 Ca 0.09 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3ht3 h LEU 583 Cb 0.21 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ht3 h LEU 583 CO -0.00 0.18 -0.36 -0.61 0.09 0.00 0.00 178.44 177.74 3ht3 h GLN 584 N 0.41 -0.96 -0.45 1.13 5.75 -1.27 -0.48 115.11 119.24 3ht3 h GLN 584 Ca 0.24 0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.69 3ht3 h GLN 584 Cb 0.22 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 3ht3 h GLN 584 CO -0.22 -0.64 -0.16 0.66 -2.65 0.00 0.00 178.83 175.83 3ht3 h SER 585 N -1.11 0.92 0.00 -0.69 4.64 -1.28 0.31 113.55 116.34 3ht3 h SER 585 Ca -0.10 -0.38 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 3ht3 h SER 585 Cb 0.76 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 3ht3 h SER 585 CO 0.17 1.09 -1.23 0.41 -0.87 0.00 0.00 176.83 176.39 3ht3 n THR 586 N -4.22 1.51 1.04 2.95 -1.04 -0.56 -1.82 114.28 112.14 3ht3 n THR 586 Ca -0.00 -0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 3ht3 n THR 586 Cb 0.41 -2.12 0.04 0.00 -1.82 0.00 0.00 70.33 66.85 3ht3 n THR 586 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ht3 n TYR 587 N -4.45 0.00 -0.01 -1.42 4.02 -0.84 -3.08 117.16 111.38 3ht3 n TYR 587 Ca -0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.59 3ht3 n TYR 587 Cb 0.60 -0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 39.88 3ht3 n TYR 587 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3ht3 n ILE 588 N -0.59 0.37 -0.10 -0.72 2.08 -0.25 -4.55 119.36 115.60 3ht3 n ILE 588 Ca 0.08 0.26 -0.08 0.00 0.56 0.00 0.00 62.75 63.58 3ht3 n ILE 588 Cb 0.41 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 3ht3 n ILE 588 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3ht3 h GLU 589 N -0.14 0.39 -0.32 0.38 5.08 -0.51 -1.69 114.58 117.78 3ht3 h GLU 589 Ca 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3ht3 h GLU 589 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ht3 h GLU 589 CO 0.00 0.26 -0.41 0.78 -1.00 0.00 0.00 179.01 178.64 3ht3 h GLY 590 N 0.41 0.85 0.64 -3.84 0.00 -1.34 -2.38 103.07 97.40 3ht3 h GLY 590 Ca 0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 3ht3 h GLY 590 CO -0.07 0.78 -0.01 -2.00 0.00 0.00 0.00 176.54 175.24 3ht3 h LEU 591 N 0.63 -0.03 -1.76 3.11 5.85 -1.46 -3.20 115.31 118.45 3ht3 h LEU 591 Ca 0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3ht3 h LEU 591 Cb 0.97 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3ht3 h LEU 591 CO 0.09 0.33 0.01 -0.07 -0.34 0.00 0.00 178.44 178.46 3ht3 h LEU 592 N -0.40 0.14 -1.82 2.25 3.38 -1.29 -1.83 115.31 115.75 3ht3 h LEU 592 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ht3 h LEU 592 Cb 0.37 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ht3 h LEU 592 CO 0.01 0.17 -0.09 0.11 0.09 0.00 0.00 178.44 178.72 3ht3 h LYS 593 N 0.16 0.00 0.00 1.13 1.57 -1.42 -3.21 116.57 114.80 3ht3 h LYS 593 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ht3 h LYS 593 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ht3 h LYS 593 CO 0.00 0.09 -1.27 1.33 -0.57 0.00 0.00 179.45 179.04 3ht3 n VAL 594 N -4.42 0.00 -1.70 0.50 0.24 -0.75 -4.97 118.33 107.22 3ht3 n VAL 594 Ca -0.03 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 3ht3 n VAL 594 Cb 0.17 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 3ht3 n VAL 594 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3ht3 n VAL 595 N -1.73 0.65 -2.65 3.34 0.31 -0.83 -4.75 118.33 112.67 3ht3 n VAL 595 Ca 0.00 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.74 3ht3 n VAL 595 Cb 0.35 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 3ht3 n VAL 595 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3ht3 s ARG 596 N 0.05 4.06 0.37 5.55 0.52 0.36 -4.94 118.95 124.91 3ht3 s ARG 596 Ca 0.70 1.06 0.05 0.00 -0.52 0.00 0.00 55.73 57.01 3ht3 s ARG 596 Cb -0.58 -3.74 0.71 0.00 0.52 0.00 0.00 34.95 31.87 3ht3 s ARG 596 CO 0.44 -0.89 1.98 -1.35 0.02 0.00 0.00 175.30 175.51 3ht3 h PRO 597 N 8.08 0.62 0.00 3.54 0.11 -1.92 0.75 132.00 143.19 3ht3 h PRO 597 Ca -0.21 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3ht3 h PRO 597 Cb 1.06 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ht3 h PRO 597 CO 1.03 0.48 -0.36 0.00 -0.21 0.00 0.00 178.00 178.94 3ht3 h ALA 598 N 1.62 0.83 0.00 -0.75 0.00 -1.98 -3.32 119.26 115.66 3ht3 h ALA 598 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ht3 h ALA 598 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ht3 h ALA 598 CO -0.02 0.16 -1.18 0.25 0.00 0.00 0.00 179.25 178.46 3ht3 n THR 599 N -3.03 0.00 -1.55 0.00 -2.24 -1.08 -5.01 114.28 101.38 3ht3 n THR 599 Ca 0.02 -0.20 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3ht3 n THR 599 Cb 0.59 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 3ht3 n THR 599 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ht3 n LYS 600 N -1.66 -1.15 -3.57 -0.78 5.02 0.26 -4.85 118.16 111.42 3ht3 n LYS 600 Ca -0.01 1.05 -0.32 0.00 -2.02 0.00 0.00 58.31 57.01 3ht3 n LYS 600 Cb 0.18 -5.26 -0.05 0.00 -0.02 0.00 0.00 35.03 29.88 3ht3 n LYS 600 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ht3 s LYS 601 N -3.51 3.70 -0.07 1.97 1.02 -1.21 -1.30 119.74 120.34 3ht3 s LYS 601 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.06 3ht3 s LYS 601 Cb 0.00 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3ht3 s LYS 601 CO 0.00 0.42 -0.04 0.14 -0.92 0.00 0.00 175.35 174.95 3ht3 s VAL 602 N -1.69 3.90 -0.38 3.17 -7.23 -0.04 -0.49 120.40 117.64 3ht3 s VAL 602 Ca 0.43 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 3ht3 s VAL 602 Cb -0.12 -2.62 0.11 0.00 0.56 0.00 0.00 36.38 34.31 3ht3 s VAL 602 CO 0.23 0.58 0.12 -1.00 -0.31 0.00 0.00 175.10 174.73 3ht3 s HIS 603 N -0.85 3.05 0.83 2.82 0.09 -1.26 -1.52 115.29 118.45 3ht3 s HIS 603 Ca 0.13 -2.73 -0.11 0.00 -0.00 0.00 0.00 55.06 52.34 3ht3 s HIS 603 Cb -0.11 -2.56 0.09 0.00 -0.00 0.00 0.00 32.58 30.00 3ht3 s HIS 603 CO 0.02 -0.87 1.09 -0.08 -0.00 0.00 0.00 174.74 174.90 3ht3 s THR 604 N 0.73 2.94 -0.17 1.30 -1.32 -1.26 -4.56 115.64 113.31 3ht3 s THR 604 Ca 0.13 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.91 3ht3 s THR 604 Cb -0.21 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 3ht3 s THR 604 CO -0.09 -0.40 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.14 3ht3 s ILE 605 N -3.06 2.60 -0.50 5.08 1.01 -0.84 -4.66 121.20 120.84 3ht3 s ILE 605 Ca 0.62 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 3ht3 s ILE 605 Cb -0.16 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3ht3 s ILE 605 CO 0.55 0.51 0.87 -0.36 0.00 0.00 0.00 174.94 176.52 3ht3 s PHE 606 N 0.99 2.90 -0.28 3.97 0.08 -1.26 -1.74 117.98 122.63 3ht3 s PHE 606 Ca -0.02 0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 3ht3 s PHE 606 Cb -0.15 -3.90 -0.01 0.00 -0.57 0.00 0.00 43.02 38.40 3ht3 s PHE 606 CO -0.03 -1.16 1.39 1.21 -0.10 0.00 0.00 175.22 176.52 3ht3 s ASN 607 N 2.47 6.58 0.00 1.36 3.84 0.06 -4.86 114.94 124.39 3ht3 s ASN 607 Ca 0.31 1.30 0.24 0.00 0.21 0.00 0.00 52.86 54.92 3ht3 s ASN 607 Cb -0.12 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.31 3ht3 s ASN 607 CO 0.22 -1.14 1.25 1.67 -2.79 0.00 0.00 177.10 176.31 3ht3 n GLN 608 N 7.43 0.57 -2.53 0.43 7.27 -1.26 -1.84 117.38 127.44 3ht3 n GLN 608 Ca 0.16 -0.41 -0.15 0.00 0.07 0.00 0.00 57.00 56.66 3ht3 n GLN 608 Cb 0.46 -1.49 0.02 0.00 2.41 0.00 0.00 30.24 31.64 3ht3 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ht3 n ALA 609 N -0.85 4.03 0.02 1.69 0.00 -1.26 -4.85 120.51 119.28 3ht3 n ALA 609 Ca 0.08 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.99 3ht3 n ALA 609 Cb 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3ht3 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ht3 n LEU 610 N -0.40 0.20 -4.79 0.00 0.00 -1.26 -4.87 117.00 105.88 3ht3 n LEU 610 Ca 0.23 0.06 -0.34 0.00 0.00 0.00 0.00 56.01 55.96 3ht3 n LEU 610 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 43.42 44.16 3ht3 n LEU 610 CO 0.27 -0.28 0.73 0.42 0.00 0.00 0.00 177.39 178.54 3ht3 s THR 611 N -2.00 3.62 -1.12 1.96 -4.23 -1.26 -4.92 115.64 107.68 3ht3 s THR 611 Ca 0.00 0.92 0.24 0.00 -1.18 0.00 0.00 61.69 61.67 3ht3 s THR 611 Cb 0.00 -3.37 0.26 0.00 1.34 0.00 0.00 72.50 70.73 3ht3 s THR 611 CO 0.00 -0.30 1.78 0.00 -0.54 0.00 0.00 174.62 175.56 3ht3 n GLN 612 N -1.43 0.10 0.00 3.99 1.13 -1.26 -3.52 117.38 116.39 3ht3 n GLN 612 Ca 0.10 0.08 0.04 0.00 -1.94 0.00 0.00 57.00 55.27 3ht3 n GLN 612 Cb 0.52 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.36 3ht3 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3ht3 n THR 613 N -1.44 0.00 -0.23 5.09 -2.24 -1.26 -4.80 114.28 109.40 3ht3 n THR 613 Ca 0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ht3 n THR 613 Cb 0.26 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3ht3 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ht3 n GLY 614 N 0.86 0.65 3.71 3.38 0.00 -1.23 -3.93 105.19 108.63 3ht3 n GLY 614 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3ht3 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ht3 s ARG 615 N -0.77 1.53 0.59 1.61 0.52 -1.26 -4.80 118.95 116.37 3ht3 s ARG 615 Ca 0.00 1.46 -0.09 0.00 -0.52 0.00 0.00 55.73 56.58 3ht3 s ARG 615 Cb 0.00 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 3ht3 s ARG 615 CO 0.00 -2.24 0.96 -0.51 0.02 0.00 0.00 175.30 173.53 3ht3 s LEU 616 N -6.23 3.28 0.29 2.53 1.43 -1.26 -4.22 118.68 114.51 3ht3 s LEU 616 Ca 0.66 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 3ht3 s LEU 616 Cb -0.22 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 41.84 3ht3 s LEU 616 CO 0.56 -0.89 -0.07 -0.94 0.23 0.00 0.00 176.35 175.23 3ht3 s SER 617 N -4.21 3.00 -0.03 2.29 1.04 -0.77 -4.95 113.70 110.07 3ht3 s SER 617 Ca 0.53 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3ht3 s SER 617 Cb -0.11 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.82 3ht3 s SER 617 CO 0.50 -0.30 -0.05 -0.55 0.98 0.00 0.00 173.24 173.82 3ht3 s SER 618 N -3.48 0.87 0.06 7.02 0.15 -1.26 -0.76 113.70 116.30 3ht3 s SER 618 Ca 0.30 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.83 3ht3 s SER 618 Cb 0.03 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 3ht3 s SER 618 CO 0.13 -0.02 -0.05 0.42 1.20 0.00 0.00 173.24 174.92 3ht3 s THR 619 N 0.65 0.41 -1.16 6.45 -4.23 -0.71 -4.09 115.64 112.96 3ht3 s THR 619 Ca -0.09 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 58.57 3ht3 s THR 619 Cb -0.12 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.54 3ht3 s THR 619 CO 0.00 -0.77 0.72 1.21 -0.54 0.00 0.00 174.62 175.24 3ht3 n GLU 620 N 0.54 -0.65 -3.16 3.99 2.13 -1.26 -1.98 120.64 120.25 3ht3 n GLU 620 Ca -0.17 0.26 -0.27 0.00 0.66 0.00 0.00 57.16 57.64 3ht3 n GLU 620 Cb 0.59 -3.09 -0.02 0.00 0.27 0.00 0.00 31.44 29.19 3ht3 n GLU 620 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3ht3 s PRO 621 N -6.75 3.59 -0.32 5.31 0.04 -1.26 -4.48 135.00 131.13 3ht3 s PRO 621 Ca 0.46 -0.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 3ht3 s PRO 621 Cb -0.22 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 3ht3 s PRO 621 CO 0.93 0.09 1.44 1.21 0.04 0.00 0.00 177.00 180.71 3ht3 s ASN 622 N -3.59 6.45 -0.13 6.66 3.84 -1.26 -4.63 114.94 122.28 3ht3 s ASN 622 Ca 0.44 1.20 0.17 0.00 0.21 0.00 0.00 52.86 54.88 3ht3 s ASN 622 Cb -0.10 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.75 3ht3 s ASN 622 CO 0.35 -1.27 1.60 0.18 -2.79 0.00 0.00 177.10 175.17 3ht3 n LEU 623 N 8.35 4.69 -0.57 3.21 4.77 -1.26 -4.20 117.00 131.99 3ht3 n LEU 623 Ca 0.17 -2.54 0.06 0.00 -0.03 0.00 0.00 56.01 53.67 3ht3 n LEU 623 Cb 0.47 -0.57 0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3ht3 n LEU 623 CO 0.66 0.77 0.52 0.00 -1.33 0.00 0.00 177.39 178.01 3ht3 n GLN 624 N 0.86 1.53 -1.09 3.23 6.02 -1.26 -4.50 117.38 122.17 3ht3 n GLN 624 Ca 0.25 -1.57 0.03 0.00 -0.01 0.00 0.00 57.00 55.70 3ht3 n GLN 624 Cb 0.90 -1.26 0.13 0.00 1.02 0.00 0.00 30.24 31.03 3ht3 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3ht3 n ASN 625 N 0.66 1.77 -4.73 1.08 6.94 -1.26 -5.02 115.26 114.70 3ht3 n ASN 625 Ca 0.09 -3.24 -0.42 0.00 -0.02 0.00 0.00 54.58 51.00 3ht3 n ASN 625 Cb 0.36 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 3ht3 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ht3 s ILE 626 N -2.41 3.19 0.71 1.53 -1.09 -1.26 -4.93 121.20 116.93 3ht3 s ILE 626 Ca 0.37 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.54 3ht3 s ILE 626 Cb 0.38 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.70 3ht3 s ILE 626 CO -0.09 0.10 1.24 -2.65 -1.23 0.00 0.00 174.94 172.32 3ht3 n PRO 627 N 3.29 0.77 0.00 2.79 -0.02 -1.26 -4.93 135.00 135.64 3ht3 n PRO 627 Ca 0.09 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3ht3 n PRO 627 Cb 0.42 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3ht3 n PRO 627 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3ht3 n ILE 628 N -2.41 0.00 -0.08 4.25 3.06 -1.26 -4.24 119.36 118.69 3ht3 n ILE 628 Ca 0.15 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.26 3ht3 n ILE 628 Cb 0.49 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.62 3ht3 n ILE 628 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 3ht3 h ARG 629 N 0.00 0.76 -5.74 9.51 2.47 -1.97 -3.44 114.38 115.97 3ht3 h ARG 629 Ca 0.00 -0.47 -0.66 0.00 -1.26 0.00 0.00 59.98 57.59 3ht3 h ARG 629 Cb 0.00 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.30 3ht3 h ARG 629 CO 0.00 1.09 -0.50 -0.51 0.56 0.00 0.00 179.97 180.61 3ht3 s LEU 630 N -8.79 4.29 0.21 3.04 1.43 -1.26 -5.03 118.68 112.57 3ht3 s LEU 630 Ca -0.12 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3ht3 s LEU 630 Cb 0.09 -2.23 0.15 0.00 0.03 0.00 0.00 46.19 44.22 3ht3 s LEU 630 CO 0.86 0.35 1.77 -0.08 0.23 0.00 0.00 176.35 179.48 3ht3 h GLU 631 N 4.57 1.18 0.20 1.70 4.57 -1.99 -0.38 114.58 124.43 3ht3 h GLU 631 Ca -0.52 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 57.44 3ht3 h GLU 631 Cb 1.21 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 3ht3 h GLU 631 CO 0.61 0.97 -0.28 0.93 -1.18 0.00 0.00 179.01 180.06 3ht3 h GLU 632 N 1.14 -0.53 -0.50 1.92 5.08 -1.97 -2.81 114.58 116.91 3ht3 h GLU 632 Ca 0.26 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3ht3 h GLU 632 Cb 0.25 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ht3 h GLU 632 CO -0.02 -0.35 -0.02 0.78 -1.00 0.00 0.00 179.01 178.40 3ht3 h GLY 633 N -0.55 0.92 0.93 -3.84 0.00 -1.92 -3.05 103.07 95.56 3ht3 h GLY 633 Ca 0.01 -0.65 0.12 0.00 0.00 0.00 0.00 47.33 46.82 3ht3 h GLY 633 CO -0.11 0.60 0.42 -0.09 0.00 0.00 0.00 176.54 177.35 3ht3 h ARG 634 N 0.79 0.32 -0.01 4.80 2.43 -0.87 -1.10 114.38 120.73 3ht3 h ARG 634 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ht3 h ARG 634 Cb 0.51 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3ht3 h ARG 634 CO 0.03 0.21 0.04 0.87 -1.51 0.00 0.00 179.97 179.61 3ht3 h LYS 635 N 0.33 0.00 -0.97 0.20 1.57 -1.39 -0.79 116.57 115.53 3ht3 h LYS 635 Ca 0.30 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.33 3ht3 h LYS 635 Cb 0.71 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3ht3 h LYS 635 CO -0.07 0.00 0.67 0.82 -0.57 0.00 0.00 179.45 180.29 3ht3 h ILE 636 N 0.00 0.56 0.00 1.86 1.08 -1.39 -0.43 117.51 119.19 3ht3 h ILE 636 Ca 0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3ht3 h ILE 636 Cb 0.09 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3ht3 h ILE 636 CO -0.00 0.03 0.00 0.03 -0.69 0.00 0.00 178.15 177.52 3ht3 h ARG 637 N 0.18 0.00 0.00 2.37 3.08 -1.34 -1.09 114.38 117.58 3ht3 h ARG 637 Ca 0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 3ht3 h ARG 637 Cb 1.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.66 3ht3 h ARG 637 CO -0.11 0.00 -0.02 1.96 -1.07 0.00 0.00 179.97 180.73 3ht3 h GLN 638 N 0.00 0.00 -0.00 0.04 4.20 -1.26 -2.11 115.11 115.98 3ht3 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ht3 h GLN 638 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3ht3 h GLN 638 CO 0.00 0.02 -0.17 0.00 -0.67 0.00 0.00 178.83 178.01 3ht3 n ALA 639 N -2.11 2.82 -2.67 3.87 0.00 -0.41 -4.63 120.51 117.38 3ht3 n ALA 639 Ca -0.01 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.76 3ht3 n ALA 639 Cb 0.24 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 3ht3 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ht3 s PHE 640 N -2.75 3.14 0.27 0.00 0.08 -1.04 -0.13 117.98 117.55 3ht3 s PHE 640 Ca 0.20 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.80 3ht3 s PHE 640 Cb 0.19 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 3ht3 s PHE 640 CO 0.54 -0.85 -0.14 0.14 -0.10 0.00 0.00 175.22 174.81 3ht3 s VAL 641 N 2.24 2.09 0.74 -0.44 -7.23 -0.51 -1.40 120.40 115.88 3ht3 s VAL 641 Ca 0.12 -2.27 -0.15 0.00 -1.81 0.00 0.00 61.98 57.87 3ht3 s VAL 641 Cb -0.19 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.47 3ht3 s VAL 641 CO 0.12 -0.40 1.21 -2.84 -0.31 0.00 0.00 175.10 172.87 3ht3 s PRO 642 N -3.60 2.10 0.32 4.82 0.02 -1.26 -3.78 135.00 133.61 3ht3 s PRO 642 Ca 0.28 1.75 0.23 0.00 0.02 0.00 0.00 61.00 63.29 3ht3 s PRO 642 Cb -0.01 -1.83 0.31 0.00 0.02 0.00 0.00 34.50 32.99 3ht3 s PRO 642 CO 0.13 -1.87 1.45 0.66 -0.33 0.00 0.00 177.00 177.04 3ht3 h SER 643 N -0.36 0.00 -3.61 2.53 4.64 -1.93 -3.46 113.55 111.36 3ht3 h SER 643 Ca -0.47 -0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.37 3ht3 h SER 643 Cb 1.29 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 3ht3 h SER 643 CO 0.49 0.01 -0.75 -1.61 -0.87 0.00 0.00 176.83 174.10 3ht3 s GLU 644 N -3.24 1.20 0.57 4.77 0.41 -1.26 -5.07 118.70 116.09 3ht3 s GLU 644 Ca 0.05 -1.42 -0.20 0.00 -0.41 0.00 0.00 54.97 52.99 3ht3 s GLU 644 Cb 0.08 -1.09 -0.04 0.00 -1.78 0.00 0.00 34.13 31.30 3ht3 s GLU 644 CO 0.70 0.20 1.23 -1.12 -0.49 0.00 0.00 175.26 175.78 3ht3 s SER 645 N -2.85 5.30 -1.05 -0.19 0.01 -1.26 -3.04 113.70 110.62 3ht3 s SER 645 Ca 0.16 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.88 3ht3 s SER 645 Cb -0.03 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3ht3 s SER 645 CO 0.05 -1.52 0.00 0.47 0.41 0.00 0.00 173.24 172.65 3ht3 n ASP 646 N -1.35 -5.26 -4.96 2.44 8.00 -1.26 -4.99 116.55 109.18 3ht3 n ASP 646 Ca 0.12 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.64 3ht3 n ASP 646 Cb 0.48 -3.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.94 3ht3 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3ht3 s TRP 647 N -2.01 3.47 0.10 1.24 0.52 -1.17 -1.02 118.94 120.07 3ht3 s TRP 647 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.33 3ht3 s TRP 647 Cb 0.00 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3ht3 s TRP 647 CO 0.00 0.26 -0.11 -0.51 0.02 0.00 0.00 176.95 176.61 3ht3 s LEU 648 N -4.16 2.41 -0.03 2.99 1.43 0.15 -4.77 118.68 116.69 3ht3 s LEU 648 Ca 0.37 -0.82 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 3ht3 s LEU 648 Cb -0.09 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 3ht3 s LEU 648 CO 0.33 -0.24 0.65 -0.63 0.23 0.00 0.00 176.35 176.69 3ht3 s ILE 649 N -2.40 4.95 -0.09 -0.59 -1.09 0.21 -1.76 121.20 120.43 3ht3 s ILE 649 Ca 0.06 1.36 0.04 0.00 -2.23 0.00 0.00 60.65 59.89 3ht3 s ILE 649 Cb -0.03 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3ht3 s ILE 649 CO 0.01 0.34 -0.23 0.12 -1.23 0.00 0.00 174.94 173.95 3ht3 s PHE 650 N 0.26 2.41 -0.08 3.97 5.36 0.54 -1.16 117.98 129.28 3ht3 s PHE 650 Ca 0.34 -0.93 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 3ht3 s PHE 650 Cb -0.18 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 3ht3 s PHE 650 CO 0.18 -0.36 -0.11 0.00 -1.46 0.00 0.00 175.22 173.46 3ht3 s ALA 651 N 0.26 1.28 -0.05 11.12 0.00 0.55 0.38 121.76 135.30 3ht3 s ALA 651 Ca -0.15 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3ht3 s ALA 651 Cb -0.17 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.32 3ht3 s ALA 651 CO 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 175.76 175.72 3ht3 s ALA 652 N 0.86 1.26 -0.01 0.00 0.00 -0.60 -1.14 121.76 122.14 3ht3 s ALA 652 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3ht3 s ALA 652 Cb -0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3ht3 s ALA 652 CO 0.01 0.16 -0.13 0.16 0.00 0.00 0.00 175.76 175.96 3ht3 s ASP 653 N 0.45 1.48 0.23 0.00 -4.77 0.11 -0.34 116.67 113.82 3ht3 s ASP 653 Ca -0.10 -0.23 -0.30 0.00 -3.30 0.00 0.00 52.55 48.62 3ht3 s ASP 653 Cb -0.14 -0.18 -0.09 0.00 -1.09 0.00 0.00 42.92 41.43 3ht3 s ASP 653 CO 0.03 0.15 1.31 -0.31 0.70 0.00 0.00 175.17 177.05 3ht3 s TYR 654 N -0.27 3.22 -0.48 2.11 1.51 0.55 -0.66 117.35 123.33 3ht3 s TYR 654 Ca 0.04 1.26 -0.23 0.00 -1.01 0.00 0.00 57.07 57.13 3ht3 s TYR 654 Cb -0.05 -3.61 0.03 0.00 -0.11 0.00 0.00 41.96 38.22 3ht3 s TYR 654 CO -0.00 -1.87 0.83 0.45 -1.11 0.00 0.00 175.55 173.85 3ht3 s SER 655 N 0.15 6.39 -1.38 2.29 0.15 0.18 -4.43 113.70 117.04 3ht3 s SER 655 Ca 0.55 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 3ht3 s SER 655 Cb -0.37 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 3ht3 s SER 655 CO 0.41 -1.01 0.89 0.00 1.20 0.00 0.00 173.24 174.73 3ht3 n GLN 656 N 6.93 -5.70 -0.23 5.44 6.02 -1.26 -4.63 117.38 123.94 3ht3 n GLN 656 Ca 0.02 0.66 0.02 0.00 -0.01 0.00 0.00 57.00 57.70 3ht3 n GLN 656 Cb 0.48 -5.45 0.14 0.00 1.02 0.00 0.00 30.24 26.43 3ht3 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3ht3 h ILE 657 N -2.06 0.74 -0.71 5.09 6.09 -1.93 -2.00 117.51 122.74 3ht3 h ILE 657 Ca -0.59 -0.16 -0.05 0.00 -1.37 0.00 0.00 64.86 62.69 3ht3 h ILE 657 Cb 1.36 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 3ht3 h ILE 657 CO 0.59 0.08 0.24 -0.33 -3.07 0.00 0.00 178.15 175.67 3ht3 h GLU 658 N 0.46 1.09 -0.13 2.19 5.08 -1.90 0.65 114.58 122.03 3ht3 h GLU 658 Ca 0.36 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3ht3 h GLU 658 Cb 0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ht3 h GLU 658 CO -0.34 0.93 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.16 3ht3 h LEU 659 N 1.04 0.27 -0.19 1.33 3.38 -1.83 0.90 115.31 120.21 3ht3 h LEU 659 Ca 0.23 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ht3 h LEU 659 Cb 0.28 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ht3 h LEU 659 CO -0.01 0.63 -0.18 0.03 0.09 0.00 0.00 178.44 179.00 3ht3 h ARG 660 N 0.23 0.46 -0.76 1.13 3.08 -0.97 -1.03 114.38 116.52 3ht3 h ARG 660 Ca 0.02 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 59.87 3ht3 h ARG 660 Cb 0.77 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 3ht3 h ARG 660 CO 0.06 0.81 0.47 0.28 -1.07 0.00 0.00 179.97 180.52 3ht3 h VAL 661 N 0.13 1.09 -0.59 2.04 2.07 -0.71 -1.12 116.25 119.18 3ht3 h VAL 661 Ca 0.03 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3ht3 h VAL 661 Cb 0.72 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3ht3 h VAL 661 CO 0.05 0.17 0.37 0.25 0.02 0.00 0.00 177.57 178.42 3ht3 h LEU 662 N 0.92 0.62 -0.31 2.57 5.85 -0.67 0.20 115.31 124.48 3ht3 h LEU 662 Ca 0.31 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3ht3 h LEU 662 Cb 0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3ht3 h LEU 662 CO -0.12 0.44 0.11 0.00 -0.34 0.00 0.00 178.44 178.53 3ht3 h ALA 663 N 1.24 0.36 0.18 1.25 0.00 -0.68 0.87 119.26 122.48 3ht3 h ALA 663 Ca 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ht3 h ALA 663 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ht3 h ALA 663 CO -0.08 -0.29 -0.15 1.25 0.00 0.00 0.00 179.25 179.99 3ht3 h HIS 664 N 0.25 -0.38 -0.25 0.00 -0.00 -0.76 -0.13 115.15 113.88 3ht3 h HIS 664 Ca 0.14 -0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.36 3ht3 h HIS 664 Cb 0.11 0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 3ht3 h HIS 664 CO -0.13 -0.23 -0.43 0.82 -0.00 0.00 0.00 177.93 177.96 3ht3 h ILE 665 N -0.34 1.30 0.00 6.26 2.04 -0.83 -3.19 117.51 122.75 3ht3 h ILE 665 Ca -0.01 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 3ht3 h ILE 665 Cb 0.31 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3ht3 h ILE 665 CO -0.01 0.52 -0.23 0.00 0.00 0.00 0.00 178.15 178.43 3ht3 h ALA 666 N 0.65 0.90 -5.87 1.87 0.00 -0.86 -3.48 119.26 112.48 3ht3 h ALA 666 Ca 0.02 -0.21 -0.44 0.00 0.00 0.00 0.00 54.91 54.28 3ht3 h ALA 666 Cb 1.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3ht3 h ALA 666 CO 0.10 0.29 -0.69 0.39 0.00 0.00 0.00 179.25 179.33 3ht3 n GLU 667 N -3.23 -5.24 -2.51 0.00 1.02 -0.06 -4.72 120.64 105.90 3ht3 n GLU 667 Ca 0.02 0.63 -0.43 0.00 -0.02 0.00 0.00 57.16 57.37 3ht3 n GLU 667 Cb 0.54 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 3ht3 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ht3 s ASP 668 N -3.11 7.06 0.15 1.62 -1.08 -1.24 -4.91 116.67 115.15 3ht3 s ASP 668 Ca 0.57 1.68 -0.15 0.00 -0.52 0.00 0.00 52.55 54.13 3ht3 s ASP 668 Cb -0.28 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.65 3ht3 s ASP 668 CO 0.70 -0.62 1.73 0.44 0.52 0.00 0.00 175.17 177.94 3ht3 h ASP 669 N 7.60 0.58 -0.31 -0.34 3.32 -1.93 -1.35 116.42 123.99 3ht3 h ASP 669 Ca -0.30 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3ht3 h ASP 669 Cb 1.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3ht3 h ASP 669 CO 0.91 0.55 0.11 0.78 -1.72 0.00 0.00 179.24 179.87 3ht3 h ASN 670 N 0.58 0.45 -0.48 6.45 2.35 -1.92 -1.34 115.58 121.67 3ht3 h ASN 670 Ca 0.15 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3ht3 h ASN 670 Cb 0.12 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3ht3 h ASN 670 CO -0.02 0.52 0.02 0.25 -1.65 0.00 0.00 177.43 176.55 3ht3 h LEU 671 N 0.35 0.81 -0.63 1.61 5.85 -1.86 -2.82 115.31 118.62 3ht3 h LEU 671 Ca 0.10 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3ht3 h LEU 671 Cb 0.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ht3 h LEU 671 CO -0.01 0.91 0.32 0.24 -0.34 0.00 0.00 178.44 179.57 3ht3 h MET 672 N 0.69 0.89 -0.72 1.25 2.86 -1.11 -2.84 114.93 115.95 3ht3 h MET 672 Ca 0.14 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3ht3 h MET 672 Cb 0.48 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3ht3 h MET 672 CO 0.02 0.70 0.33 1.49 1.06 0.00 0.00 176.91 180.51 3ht3 h GLU 673 N 0.86 1.03 -0.53 1.72 4.57 -1.21 -0.24 114.58 120.79 3ht3 h GLU 673 Ca 0.22 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3ht3 h GLU 673 Cb 0.08 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.43 3ht3 h GLU 673 CO -0.03 0.81 0.20 0.00 -1.18 0.00 0.00 179.01 178.80 3ht3 h ALA 674 N 1.34 0.66 0.02 2.92 0.00 -1.27 -0.86 119.26 122.07 3ht3 h ALA 674 Ca 0.25 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 3ht3 h ALA 674 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ht3 h ALA 674 CO -0.03 -0.20 -0.93 0.74 0.00 0.00 0.00 179.25 178.83 3ht3 h PHE 675 N 0.38 0.33 -0.36 0.00 0.05 -1.29 0.74 116.94 116.79 3ht3 h PHE 675 Ca 0.26 -0.19 -0.04 0.00 3.82 0.00 0.00 57.97 61.82 3ht3 h PHE 675 Cb 0.27 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 3ht3 h PHE 675 CO -0.16 1.03 0.07 0.00 -0.18 0.00 0.00 178.31 179.08 3ht3 h ARG 676 N 0.11 0.54 -0.14 1.51 3.08 -0.82 -2.60 114.38 116.06 3ht3 h ARG 676 Ca -0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3ht3 h ARG 676 Cb 1.58 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3ht3 h ARG 676 CO 0.14 0.51 0.00 0.54 -1.07 0.00 0.00 179.97 180.09 3ht3 n ARG 677 N -4.33 2.24 -4.01 0.04 1.74 -0.35 -4.98 116.66 107.01 3ht3 n ARG 677 Ca 0.02 -1.83 -0.26 0.00 -0.77 0.00 0.00 57.85 55.01 3ht3 n ARG 677 Cb 0.20 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3ht3 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ht3 n ASP 678 N 1.15 -0.20 -4.83 0.55 2.03 -0.33 -4.98 116.55 109.95 3ht3 n ASP 678 Ca 0.16 -1.05 -0.36 0.00 0.52 0.00 0.00 54.79 54.07 3ht3 n ASP 678 Cb 0.55 -2.84 -0.06 0.00 -0.72 0.00 0.00 41.12 38.05 3ht3 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ht3 s LEU 679 N -7.03 4.36 -0.23 -2.67 1.43 0.10 -5.01 118.68 109.63 3ht3 s LEU 679 Ca 0.02 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.07 3ht3 s LEU 679 Cb -0.01 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3ht3 s LEU 679 CO 0.90 0.09 2.05 -0.62 0.23 0.00 0.00 176.35 179.00 3ht3 s ASP 680 N -1.64 5.70 0.30 2.29 -1.08 -1.26 -4.72 116.67 116.26 3ht3 s ASP 680 Ca 0.39 1.77 0.05 0.00 -0.52 0.00 0.00 52.55 54.24 3ht3 s ASP 680 Cb -0.16 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 3ht3 s ASP 680 CO 0.20 -1.79 1.75 -0.29 0.52 0.00 0.00 175.17 175.57 3ht3 h ILE 681 N 6.89 1.26 -0.42 4.11 6.09 -1.95 -1.28 117.51 132.21 3ht3 h ILE 681 Ca -0.39 -1.24 -0.14 0.00 -1.37 0.00 0.00 64.86 61.72 3ht3 h ILE 681 Cb 1.21 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 3ht3 h ILE 681 CO 0.98 0.39 -0.29 0.45 -3.07 0.00 0.00 178.15 176.60 3ht3 h HIS 682 N 0.33 1.06 -0.55 2.19 3.86 -1.92 -0.69 115.15 119.43 3ht3 h HIS 682 Ca 0.05 -0.28 -0.11 0.00 -1.16 0.00 0.00 60.37 58.87 3ht3 h HIS 682 Cb 0.65 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3ht3 h HIS 682 CO 0.02 1.08 -0.09 1.15 0.86 0.00 0.00 177.93 180.95 3ht3 h THR 683 N 0.77 1.27 0.11 2.45 2.02 -1.83 -1.40 112.91 116.30 3ht3 h THR 683 Ca 0.09 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 3ht3 h THR 683 Cb 0.86 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3ht3 h THR 683 CO 0.08 0.44 -0.07 0.50 0.37 0.00 0.00 175.52 176.84 3ht3 h LYS 684 N 0.91 -0.17 -0.84 6.66 3.11 -1.09 -0.63 116.57 124.53 3ht3 h LYS 684 Ca 0.14 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 3ht3 h LYS 684 Cb 0.66 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.89 3ht3 h LYS 684 CO 0.05 -0.11 0.46 1.15 -2.81 0.00 0.00 179.45 178.18 3ht3 h THR 685 N -0.18 1.25 -0.51 1.00 2.02 -1.11 -2.04 112.91 113.34 3ht3 h THR 685 Ca -0.01 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.61 3ht3 h THR 685 Cb 0.15 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 3ht3 h THR 685 CO 0.01 0.28 0.24 0.00 0.37 0.00 0.00 175.52 176.42 3ht3 h ALA 686 N 1.24 0.65 -0.80 6.16 0.00 -0.90 0.14 119.26 125.75 3ht3 h ALA 686 Ca 0.29 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3ht3 h ALA 686 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3ht3 h ALA 686 CO -0.05 -0.12 0.53 0.52 0.00 0.00 0.00 179.25 180.13 3ht3 h MET 687 N 0.47 0.93 -0.01 0.00 2.07 -0.73 -1.38 114.93 116.27 3ht3 h MET 687 Ca 0.23 -0.06 -0.16 0.00 -2.07 0.00 0.00 59.70 57.64 3ht3 h MET 687 Cb 0.17 -0.21 0.01 0.00 -1.87 0.00 0.00 31.60 29.70 3ht3 h MET 687 CO -0.18 0.62 -0.62 -0.44 1.07 0.00 0.00 176.91 177.36 3ht3 h ASP 688 N 0.96 0.56 1.28 1.22 3.32 -0.61 -1.80 116.42 121.34 3ht3 h ASP 688 Ca 0.33 -0.75 -0.14 0.00 0.02 0.00 0.00 57.03 56.49 3ht3 h ASP 688 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3ht3 h ASP 688 CO -0.10 1.23 -0.74 0.16 -1.72 0.00 0.00 179.24 178.08 3ht3 h ILE 689 N -0.06 1.10 0.00 0.35 3.07 -0.64 -3.16 117.51 118.18 3ht3 h ILE 689 Ca -0.07 -2.58 0.00 0.00 1.55 0.00 0.00 64.86 63.75 3ht3 h ILE 689 Cb 1.32 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 40.40 3ht3 h ILE 689 CO 0.12 0.63 -0.94 0.49 -1.05 0.00 0.00 178.15 177.39 3ht3 n PHE 690 N -3.24 0.12 -3.55 0.16 3.72 -0.53 -4.74 117.46 109.40 3ht3 n PHE 690 Ca 0.00 0.04 -0.19 0.00 -0.05 0.00 0.00 57.45 57.25 3ht3 n PHE 690 Cb 0.81 -0.28 0.06 0.00 -0.94 0.00 0.00 39.48 39.14 3ht3 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ht3 n GLN 691 N -1.74 -5.69 -4.41 -1.08 6.02 -0.72 -5.03 117.38 104.73 3ht3 n GLN 691 Ca 0.03 0.74 -0.20 0.00 -0.01 0.00 0.00 57.00 57.56 3ht3 n GLN 691 Cb 0.39 -5.54 -0.10 0.00 1.02 0.00 0.00 30.24 26.00 3ht3 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ht3 s VAL 692 N -3.50 1.28 0.90 5.09 -7.23 -0.95 -5.05 120.40 110.94 3ht3 s VAL 692 Ca 0.02 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 3ht3 s VAL 692 Cb -0.00 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.50 3ht3 s VAL 692 CO 0.77 -0.18 1.15 -0.94 -0.31 0.00 0.00 175.10 175.59 3ht3 s SER 693 N -3.42 3.65 0.22 4.85 1.04 -1.26 -4.59 113.70 114.18 3ht3 s SER 693 Ca 0.32 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.59 3ht3 s SER 693 Cb 0.06 -1.46 0.17 0.00 0.10 0.00 0.00 66.02 64.89 3ht3 s SER 693 CO 0.13 -2.46 1.79 -0.08 0.98 0.00 0.00 173.24 173.59 3ht3 h GLU 694 N -1.43 1.21 0.00 4.02 4.81 -1.97 -2.56 114.58 118.66 3ht3 h GLU 694 Ca -0.50 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.51 3ht3 h GLU 694 Cb 1.33 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ht3 h GLU 694 CO 0.62 0.97 -0.06 0.38 -0.73 0.00 0.00 179.01 180.18 3ht3 h ASP 695 N 1.18 0.00 0.37 1.04 2.03 -2.01 -2.79 116.42 116.25 3ht3 h ASP 695 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 3ht3 h ASP 695 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3ht3 h ASP 695 CO -0.02 0.06 -0.15 -0.62 -1.03 0.00 0.00 179.24 177.48 3ht3 n GLU 696 N -3.28 0.65 -2.42 4.15 1.02 -0.96 -4.80 120.64 115.01 3ht3 n GLU 696 Ca -0.01 -0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.45 3ht3 n GLU 696 Cb 0.26 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3ht3 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ht3 s VAL 697 N -2.53 4.02 0.61 2.62 1.01 -1.05 -4.99 120.40 120.09 3ht3 s VAL 697 Ca 0.27 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3ht3 s VAL 697 Cb 0.20 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3ht3 s VAL 697 CO 0.49 -0.74 1.00 0.42 0.00 0.00 0.00 175.10 176.28 3ht3 s THR 698 N 4.98 4.68 0.44 3.92 -4.23 -1.26 -4.91 115.64 119.26 3ht3 s THR 698 Ca 0.57 0.77 0.15 0.00 -1.18 0.00 0.00 61.69 62.00 3ht3 s THR 698 Cb -0.13 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.20 3ht3 s THR 698 CO 0.30 -1.09 1.97 -0.65 -0.54 0.00 0.00 174.62 174.61 3ht3 h PRO 699 N -0.26 0.37 -0.31 3.99 0.11 -1.99 -1.38 132.00 132.53 3ht3 h PRO 699 Ca -0.44 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3ht3 h PRO 699 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ht3 h PRO 699 CO 0.62 0.25 -0.36 -0.97 -0.21 0.00 0.00 178.00 177.32 3ht3 h ASN 700 N 0.38 0.73 -0.57 -2.05 -1.24 -1.99 -2.01 115.58 108.83 3ht3 h ASN 700 Ca 0.29 -0.32 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 3ht3 h ASN 700 Cb 0.64 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 3ht3 h ASN 700 CO -0.08 1.03 0.10 0.24 -1.29 0.00 0.00 177.43 177.43 3ht3 h MET 701 N 0.58 0.94 -0.71 6.67 2.86 -1.71 -1.91 114.93 121.64 3ht3 h MET 701 Ca 0.06 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 3ht3 h MET 701 Cb 0.89 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3ht3 h MET 701 CO 0.08 0.90 0.21 -0.09 1.06 0.00 0.00 176.91 179.06 3ht3 h ARG 702 N 0.84 1.11 -0.68 1.72 2.43 -1.18 -0.91 114.38 117.71 3ht3 h ARG 702 Ca 0.18 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3ht3 h ARG 702 Cb 0.40 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3ht3 h ARG 702 CO 0.01 0.96 0.25 0.00 -1.51 0.00 0.00 179.97 179.68 3ht3 h ARG 703 N 1.07 1.01 -0.42 0.20 3.08 -1.17 0.11 114.38 118.26 3ht3 h ARG 703 Ca 0.23 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3ht3 h ARG 703 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3ht3 h ARG 703 CO -0.01 0.83 0.03 1.96 -1.07 0.00 0.00 179.97 181.72 3ht3 h GLN 704 N 0.99 0.72 -0.41 0.04 4.20 -1.04 -2.86 115.11 116.75 3ht3 h GLN 704 Ca 0.23 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3ht3 h GLN 704 Cb 0.21 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3ht3 h GLN 704 CO -0.02 0.78 0.11 0.00 -0.67 0.00 0.00 178.83 179.04 3ht3 h ALA 705 N 0.91 1.43 -0.14 3.87 0.00 -0.81 -1.76 119.26 122.75 3ht3 h ALA 705 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ht3 h ALA 705 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ht3 h ALA 705 CO 0.02 0.42 -0.04 -0.22 0.00 0.00 0.00 179.25 179.42 3ht3 h LYS 706 N 0.59 -0.01 -0.21 0.00 3.64 -0.66 0.19 116.57 120.11 3ht3 h LYS 706 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3ht3 h LYS 706 Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ht3 h LYS 706 CO -0.01 -0.01 -0.11 0.00 -2.27 0.00 0.00 179.45 177.05 3ht3 h ALA 707 N 1.13 1.43 0.12 5.00 0.00 -1.22 -0.75 119.26 124.96 3ht3 h ALA 707 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ht3 h ALA 707 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ht3 h ALA 707 CO -0.16 0.40 -0.06 0.28 0.00 0.00 0.00 179.25 179.72 3ht3 h VAL 708 N 0.32 1.04 -0.65 0.00 2.07 -0.86 -0.21 116.25 117.96 3ht3 h VAL 708 Ca 0.06 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3ht3 h VAL 708 Cb 0.40 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3ht3 h VAL 708 CO 0.02 0.17 0.35 0.78 0.02 0.00 0.00 177.57 178.91 3ht3 h ASN 709 N -0.49 0.51 0.21 0.57 2.35 -0.27 -1.67 115.58 116.78 3ht3 h ASN 709 Ca -0.02 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 3ht3 h ASN 709 Cb 0.39 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3ht3 h ASN 709 CO 0.03 0.33 -0.85 -0.26 -1.65 0.00 0.00 177.43 175.02 3ht3 h PHE 710 N 0.64 0.70 0.13 1.19 0.04 -1.16 -3.39 116.94 115.08 3ht3 h PHE 710 Ca 0.29 -0.34 -0.34 0.00 2.80 0.00 0.00 57.97 60.38 3ht3 h PHE 710 Cb 0.20 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3ht3 h PHE 710 CO -0.09 1.14 -1.80 0.78 -0.60 0.00 0.00 178.31 177.75 3ht3 h GLY 711 N 1.08 0.30 0.92 -1.45 0.00 -0.83 -3.41 103.07 99.69 3ht3 h GLY 711 Ca -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3ht3 h GLY 711 CO 0.15 0.68 0.08 -2.22 0.00 0.00 0.00 176.54 175.23 3ht3 h ILE 712 N 0.07 1.23 0.00 2.60 2.04 -1.50 -1.63 117.51 120.31 3ht3 h ILE 712 Ca -0.35 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3ht3 h ILE 712 Cb 2.05 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3ht3 h ILE 712 CO 0.13 0.27 0.00 -0.65 0.00 0.00 0.00 178.15 177.89 3ht3 h PRO 713 N 0.43 0.00 -0.56 2.37 0.11 -1.79 -0.35 132.00 132.21 3ht3 h PRO 713 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ht3 h PRO 713 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3ht3 h PRO 713 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 3ht3 n TYR 714 N -2.63 1.16 -0.34 0.65 4.01 -0.99 -4.67 117.16 114.35 3ht3 n TYR 714 Ca -0.00 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 3ht3 n TYR 714 Cb 0.18 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3ht3 n TYR 714 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ht3 n GLY 715 N 0.92 0.81 3.66 2.72 0.00 -0.14 -4.81 105.19 108.35 3ht3 n GLY 715 Ca 0.23 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3ht3 n GLY 715 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ht3 n ILE 716 N -2.34 2.70 -3.27 -0.61 3.06 -0.65 -5.01 119.36 113.23 3ht3 n ILE 716 Ca 0.00 -0.50 -0.20 0.00 -2.50 0.00 0.00 62.75 59.55 3ht3 n ILE 716 Cb 0.00 -1.39 0.01 0.00 0.54 0.00 0.00 39.64 38.80 3ht3 n ILE 716 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3ht3 s SER 717 N -0.69 5.24 0.30 9.51 1.04 -1.26 -4.80 113.70 123.04 3ht3 s SER 717 Ca 0.64 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3ht3 s SER 717 Cb -0.51 -0.28 0.53 0.00 0.10 0.00 0.00 66.02 65.85 3ht3 s SER 717 CO 0.56 -0.91 1.92 -2.24 0.98 0.00 0.00 173.24 173.55 3ht3 h ASP 718 N 0.65 0.91 0.11 7.02 -0.00 -1.92 -1.59 116.42 121.60 3ht3 h ASP 718 Ca -0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.66 3ht3 h ASP 718 Cb 1.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 40.41 3ht3 h ASP 718 CO 0.49 0.59 -0.08 0.22 -0.00 0.00 0.00 179.24 180.46 3ht3 h TYR 719 N 1.03 -0.20 -0.62 4.15 3.20 -1.95 -0.31 116.97 122.26 3ht3 h TYR 719 Ca 0.38 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 3ht3 h TYR 719 Cb 0.17 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3ht3 h TYR 719 CO -0.00 -0.13 0.29 0.78 -1.64 0.00 0.00 178.16 177.46 3ht3 h GLY 720 N -0.19 0.97 0.97 1.82 0.00 -1.88 -0.43 103.07 104.33 3ht3 h GLY 720 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3ht3 h GLY 720 CO -0.01 0.47 0.23 -2.00 0.00 0.00 0.00 176.54 175.23 3ht3 h LEU 721 N 0.86 0.68 -0.73 3.11 5.85 -1.22 -0.00 115.31 123.86 3ht3 h LEU 721 Ca 0.21 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3ht3 h LEU 721 Cb 0.14 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3ht3 h LEU 721 CO -0.02 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 178.73 3ht3 h ALA 722 N 1.07 0.93 -0.22 1.25 0.00 -0.79 -1.49 119.26 120.01 3ht3 h ALA 722 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3ht3 h ALA 722 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ht3 h ALA 722 CO -0.02 0.64 -0.38 1.96 0.00 0.00 0.00 179.25 181.46 3ht3 h GLN 723 N 0.92 0.64 -0.10 0.00 1.08 -0.90 0.11 115.11 116.87 3ht3 h GLN 723 Ca 0.17 -0.40 -0.14 0.00 -1.45 0.00 0.00 58.65 56.83 3ht3 h GLN 723 Cb 0.51 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3ht3 h GLN 723 CO 0.02 1.01 -0.54 -0.91 -0.95 0.00 0.00 178.83 177.46 3ht3 h ASN 724 N 0.34 0.32 0.10 1.46 2.35 -0.88 -3.17 115.58 116.10 3ht3 h ASN 724 Ca 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3ht3 h ASN 724 Cb 0.97 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3ht3 h ASN 724 CO 0.09 0.80 -0.88 0.18 -1.65 0.00 0.00 177.43 175.97 3ht3 n LEU 725 N -3.92 0.93 -3.51 1.61 4.77 -0.57 -5.00 117.00 111.30 3ht3 n LEU 725 Ca -0.02 -0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 55.36 3ht3 n LEU 725 Cb 0.58 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3ht3 n LEU 725 CO 0.44 0.23 0.01 -3.20 -1.33 0.00 0.00 177.39 173.54 3ht3 n ASN 726 N -1.45 -3.01 -4.41 -1.43 5.15 -0.06 -5.03 115.26 105.02 3ht3 n ASN 726 Ca 0.05 -0.75 -0.20 0.00 -0.60 0.00 0.00 54.58 53.07 3ht3 n ASN 726 Cb 0.34 -4.60 -0.10 0.00 -0.53 0.00 0.00 39.78 34.88 3ht3 n ASN 726 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3ht3 s ILE 727 N -3.49 1.14 0.23 -1.44 -4.36 -0.68 -5.04 121.20 107.55 3ht3 s ILE 727 Ca 0.14 -2.02 -0.31 0.00 -0.26 0.00 0.00 60.65 58.20 3ht3 s ILE 727 Cb -0.03 -2.67 -0.14 0.00 1.25 0.00 0.00 42.46 40.87 3ht3 s ILE 727 CO 0.77 -0.08 1.32 -0.24 0.24 0.00 0.00 174.94 176.95 3ht3 n SER 728 N -0.61 2.29 0.11 4.36 2.88 -1.26 -4.62 113.62 116.77 3ht3 n SER 728 Ca -0.03 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.63 3ht3 n SER 728 Cb 0.66 -1.36 0.17 0.00 -0.75 0.00 0.00 64.21 62.92 3ht3 n SER 728 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3ht3 h ARG 729 N 3.81 0.16 -0.49 -1.46 2.43 -1.92 -0.47 114.38 116.44 3ht3 h ARG 729 Ca -0.44 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 3ht3 h ARG 729 Cb 1.30 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3ht3 h ARG 729 CO 0.73 0.68 0.13 -0.22 -1.51 0.00 0.00 179.97 179.78 3ht3 h LYS 730 N 0.12 0.77 -0.68 0.20 3.64 -1.94 -1.36 116.57 117.32 3ht3 h LYS 730 Ca -0.00 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 3ht3 h LYS 730 Cb 1.02 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3ht3 h LYS 730 CO 0.08 0.74 0.13 0.93 -2.27 0.00 0.00 179.45 179.06 3ht3 h GLU 731 N 0.66 1.12 -0.62 1.90 5.08 -1.89 -2.00 114.58 118.83 3ht3 h GLU 731 Ca 0.15 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3ht3 h GLU 731 Cb 0.31 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3ht3 h GLU 731 CO -0.00 1.01 0.35 0.00 -1.00 0.00 0.00 179.01 179.37 3ht3 h ALA 732 N 1.08 0.79 -0.52 3.43 0.00 -0.97 -0.62 119.26 122.44 3ht3 h ALA 732 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ht3 h ALA 732 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ht3 h ALA 732 CO 0.01 0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.72 3ht3 h ALA 733 N 1.17 1.30 -0.64 0.00 0.00 -1.02 -2.03 119.26 118.04 3ht3 h ALA 733 Ca 0.22 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ht3 h ALA 733 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ht3 h ALA 733 CO -0.04 0.50 0.05 0.93 0.00 0.00 0.00 179.25 180.70 3ht3 h GLU 734 N 0.76 1.10 -0.56 0.00 5.08 -1.00 -2.08 114.58 117.88 3ht3 h GLU 734 Ca 0.17 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3ht3 h GLU 734 Cb 0.23 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 3ht3 h GLU 734 CO -0.01 1.04 0.18 0.74 -1.00 0.00 0.00 179.01 179.96 3ht3 h PHE 735 N 1.02 0.31 -0.19 4.33 0.04 -0.48 -0.85 116.94 121.12 3ht3 h PHE 735 Ca 0.19 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 3ht3 h PHE 735 Cb 0.51 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ht3 h PHE 735 CO 0.04 0.06 -0.01 0.82 -0.60 0.00 0.00 178.31 178.62 3ht3 h ILE 736 N 0.35 1.26 -0.47 -0.55 2.04 -1.15 -0.27 117.51 118.72 3ht3 h ILE 736 Ca 0.28 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3ht3 h ILE 736 Cb 0.36 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3ht3 h ILE 736 CO -0.31 0.28 0.28 -0.33 0.00 0.00 0.00 178.15 178.06 3ht3 h GLU 737 N 0.09 0.54 -0.73 2.37 4.39 -1.19 -1.82 114.58 118.22 3ht3 h GLU 737 Ca 0.05 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 3ht3 h GLU 737 Cb 0.42 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3ht3 h GLU 737 CO 0.01 0.36 0.21 0.00 -1.16 0.00 0.00 179.01 178.42 3ht3 h ARG 738 N 0.55 1.15 -0.22 2.33 3.08 -1.05 -1.11 114.38 119.12 3ht3 h ARG 738 Ca 0.19 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ht3 h ARG 738 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3ht3 h ARG 738 CO -0.09 0.99 0.08 -0.92 -1.07 0.00 0.00 179.97 178.96 3ht3 h TYR 739 N 1.09 0.15 -0.14 3.04 3.20 -0.68 -1.40 116.97 122.24 3ht3 h TYR 739 Ca 0.23 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3ht3 h TYR 739 Cb 0.34 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3ht3 h TYR 739 CO 0.03 0.07 -0.43 0.74 -1.64 0.00 0.00 178.16 176.93 3ht3 h PHE 740 N 0.19 0.38 0.00 -3.82 0.04 -1.16 0.35 116.94 112.92 3ht3 h PHE 740 Ca 0.09 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3ht3 h PHE 740 Cb 0.05 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3ht3 h PHE 740 CO -0.12 0.70 -0.18 1.05 -0.60 0.00 0.00 178.31 179.17 3ht3 h GLU 741 N 0.26 0.00 0.11 1.51 4.11 -1.08 -2.83 114.58 116.67 3ht3 h GLU 741 Ca 0.02 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.12 3ht3 h GLU 741 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3ht3 h GLU 741 CO 0.07 0.18 -1.76 1.03 0.07 0.00 0.00 179.01 178.60 3ht3 h SER 742 N 0.00 0.37 -2.27 3.06 0.87 -0.48 -3.40 113.55 111.70 3ht3 h SER 742 Ca -0.00 -0.66 -0.60 0.00 -1.23 0.00 0.00 61.79 59.30 3ht3 h SER 742 Cb 0.68 -0.12 -0.42 0.00 -0.44 0.00 0.00 62.40 62.10 3ht3 h SER 742 CO 0.02 1.58 -0.64 0.49 -0.53 0.00 0.00 176.83 177.75 3ht3 n PHE 743 N -3.42 3.23 0.25 2.24 3.72 0.12 -4.77 117.46 118.82 3ht3 n PHE 743 Ca -0.23 -4.12 0.13 0.00 -0.05 0.00 0.00 57.45 53.18 3ht3 n PHE 743 Cb 1.05 -0.54 0.57 0.00 -0.94 0.00 0.00 39.48 39.62 3ht3 n PHE 743 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ht3 h PRO 744 N 4.31 0.00 -0.15 -1.08 0.13 -1.73 -1.72 132.00 131.75 3ht3 h PRO 744 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 3ht3 h PRO 744 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3ht3 h PRO 744 CO 0.79 0.13 -0.08 0.78 -0.23 0.00 0.00 178.00 179.39 3ht3 h GLY 745 N 1.93 0.25 1.02 1.56 0.00 -1.88 -2.19 103.07 103.77 3ht3 h GLY 745 Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3ht3 h GLY 745 CO 0.02 0.13 -0.17 -2.08 0.00 0.00 0.00 176.54 174.44 3ht3 h VAL 746 N 0.23 1.28 -0.48 4.60 2.07 -1.59 -0.31 116.25 122.04 3ht3 h VAL 746 Ca 0.05 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.30 3ht3 h VAL 746 Cb 0.29 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3ht3 h VAL 746 CO 0.01 0.44 0.26 0.50 0.02 0.00 0.00 177.57 178.81 3ht3 h LYS 747 N 0.66 0.51 -0.56 1.57 1.63 -1.51 -1.11 116.57 117.76 3ht3 h LYS 747 Ca 0.09 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 3ht3 h LYS 747 Cb 0.72 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 3ht3 h LYS 747 CO 0.05 0.34 0.08 0.00 -3.45 0.00 0.00 179.45 176.47 3ht3 h ARG 748 N 0.53 0.91 -0.19 1.90 3.08 -1.30 -1.89 114.38 117.41 3ht3 h ARG 748 Ca 0.20 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ht3 h ARG 748 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ht3 h ARG 748 CO -0.11 0.85 0.12 -0.92 -1.07 0.00 0.00 179.97 178.84 3ht3 h TYR 749 N 0.86 0.25 -0.76 3.04 3.20 -0.64 0.19 116.97 123.10 3ht3 h TYR 749 Ca 0.17 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3ht3 h TYR 749 Cb 0.40 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3ht3 h TYR 749 CO 0.02 0.17 0.50 0.52 -1.64 0.00 0.00 178.16 177.73 3ht3 h MET 750 N 0.25 0.97 -0.22 1.82 2.86 -0.92 0.65 114.93 120.33 3ht3 h MET 750 Ca 0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3ht3 h MET 750 Cb -0.01 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3ht3 h MET 750 CO -0.01 0.64 0.02 0.93 1.06 0.00 0.00 176.91 179.55 3ht3 h GLU 751 N 1.00 0.38 -0.50 1.72 5.08 -1.18 -3.09 114.58 117.99 3ht3 h GLU 751 Ca 0.29 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3ht3 h GLU 751 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3ht3 h GLU 751 CO -0.08 0.55 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.42 3ht3 h ASN 752 N 0.17 1.00 0.37 1.42 2.35 -0.19 -2.20 115.58 118.50 3ht3 h ASN 752 Ca 0.07 -0.37 -0.16 0.00 -0.55 0.00 0.00 56.30 55.29 3ht3 h ASN 752 Cb 0.36 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3ht3 h ASN 752 CO 0.01 1.14 -0.65 -0.29 -1.65 0.00 0.00 177.43 175.99 3ht3 h ILE 753 N 0.85 1.40 -0.29 2.81 6.09 -0.97 -0.01 117.51 127.39 3ht3 h ILE 753 Ca 0.12 -2.07 -0.04 0.00 -1.37 0.00 0.00 64.86 61.50 3ht3 h ILE 753 Cb 0.72 2.06 -0.01 0.00 0.47 0.00 0.00 36.82 40.06 3ht3 h ILE 753 CO 0.06 0.61 0.02 0.58 -3.07 0.00 0.00 178.15 176.35 3ht3 h VAL 754 N 0.19 1.25 -0.41 2.19 2.07 -1.52 -0.33 116.25 119.68 3ht3 h VAL 754 Ca -0.01 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3ht3 h VAL 754 Cb 1.18 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3ht3 h VAL 754 CO 0.10 0.28 0.22 -0.61 0.02 0.00 0.00 177.57 177.58 3ht3 h GLN 755 N 0.30 0.43 -0.56 1.57 4.15 -1.18 -1.06 115.11 118.76 3ht3 h GLN 755 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3ht3 h GLN 755 Cb 0.39 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3ht3 h GLN 755 CO 0.01 0.28 0.35 1.49 -1.93 0.00 0.00 178.83 179.04 3ht3 h GLU 756 N 0.44 0.76 -0.62 1.69 4.81 -0.89 -1.01 114.58 119.76 3ht3 h GLU 756 Ca 0.17 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3ht3 h GLU 756 Cb 0.05 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 3ht3 h GLU 756 CO -0.10 0.53 0.37 0.00 -0.73 0.00 0.00 179.01 179.08 3ht3 h ALA 757 N 1.18 0.81 -0.86 2.92 0.00 -0.75 0.13 119.26 122.70 3ht3 h ALA 757 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ht3 h ALA 757 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3ht3 h ALA 757 CO -0.04 0.11 0.45 0.87 0.00 0.00 0.00 179.25 180.63 3ht3 h LYS 758 N 0.73 1.21 0.16 0.00 1.57 -0.78 0.28 116.57 119.73 3ht3 h LYS 758 Ca 0.25 -0.15 -0.30 0.00 -1.87 0.00 0.00 60.65 58.58 3ht3 h LYS 758 Cb 0.05 -0.23 0.03 0.00 0.08 0.00 0.00 32.23 32.15 3ht3 h LYS 758 CO -0.11 0.90 -1.30 1.96 -0.57 0.00 0.00 179.45 180.33 3ht3 h GLN 759 N 1.21 0.52 0.00 3.15 4.20 -0.71 -3.37 115.11 120.11 3ht3 h GLN 759 Ca 0.30 -0.76 -0.28 0.00 0.06 0.00 0.00 58.65 57.96 3ht3 h GLN 759 Cb 0.06 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 3ht3 h GLN 759 CO -0.04 1.35 -1.95 1.63 -0.67 0.00 0.00 178.83 179.15 3ht3 n LYS 760 N -3.72 0.65 -0.37 1.46 5.02 0.43 -4.99 118.16 116.65 3ht3 n LYS 760 Ca -0.13 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ht3 n LYS 760 Cb 1.02 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3ht3 n LYS 760 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ht3 n GLY 761 N 1.58 0.74 3.59 0.72 0.00 0.96 -5.04 105.19 107.74 3ht3 n GLY 761 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 3ht3 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ht3 s TYR 762 N -2.45 -0.38 0.29 1.61 -0.85 -1.23 -1.22 117.35 113.13 3ht3 s TYR 762 Ca 0.00 0.09 0.12 0.00 -0.52 0.00 0.00 57.07 56.76 3ht3 s TYR 762 Cb 0.00 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 3ht3 s TYR 762 CO 0.00 -0.92 -0.19 0.14 -1.52 0.00 0.00 175.55 173.06 3ht3 s VAL 763 N -3.68 2.44 0.08 -3.49 -7.23 -0.57 -4.26 120.40 103.69 3ht3 s VAL 763 Ca 0.05 -2.38 0.05 0.00 -1.81 0.00 0.00 61.98 57.89 3ht3 s VAL 763 Cb -0.02 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3ht3 s VAL 763 CO -0.05 -0.38 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.32 3ht3 s THR 764 N -2.53 1.18 0.55 5.32 2.01 -1.26 -1.63 115.64 119.28 3ht3 s THR 764 Ca 0.30 -1.38 0.09 0.00 0.31 0.00 0.00 61.69 61.01 3ht3 s THR 764 Cb -0.04 -1.17 0.07 0.00 0.01 0.00 0.00 72.50 71.37 3ht3 s THR 764 CO 0.15 -0.24 0.69 0.42 -0.69 0.00 0.00 174.62 174.95 3ht3 s THR 765 N -1.39 2.14 0.27 -0.82 -4.23 -0.06 -4.61 115.64 106.93 3ht3 s THR 765 Ca 0.00 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3ht3 s THR 765 Cb -0.09 -2.24 0.25 0.00 1.34 0.00 0.00 72.50 71.76 3ht3 s THR 765 CO 0.02 0.00 1.83 -0.07 -0.54 0.00 0.00 174.62 175.87 3ht3 h LEU 766 N 0.35 0.85 -3.70 4.79 3.38 -1.90 -1.64 115.31 117.45 3ht3 h LEU 766 Ca -0.32 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 3ht3 h LEU 766 Cb 1.29 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 3ht3 h LEU 766 CO 0.45 0.48 0.23 0.18 0.09 0.00 0.00 178.44 179.87 3ht3 n LEU 767 N -4.65 6.07 0.00 1.67 4.77 -1.26 -4.93 117.00 118.68 3ht3 n LEU 767 Ca 0.16 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 3ht3 n LEU 767 Cb 0.30 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3ht3 n LEU 767 CO 0.28 0.77 0.00 1.41 -1.33 0.00 0.00 177.39 178.52 3ht3 n HIS 768 N 0.00 0.00 -2.07 -1.77 8.25 -0.62 -4.70 115.22 114.32 3ht3 n HIS 768 Ca 0.39 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.46 3ht3 n HIS 768 Cb 1.36 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 32.15 3ht3 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3ht3 s ARG 769 N -1.32 3.75 0.15 -0.41 3.52 -1.26 -4.75 118.95 118.64 3ht3 s ARG 769 Ca 0.00 2.05 0.10 0.00 -0.13 0.00 0.00 55.73 57.74 3ht3 s ARG 769 Cb 0.00 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 3ht3 s ARG 769 CO 0.00 -0.64 -0.21 1.03 -0.81 0.00 0.00 175.30 174.67 3ht3 s ARG 770 N -2.50 1.32 -0.06 5.12 0.52 -1.26 -0.88 118.95 121.21 3ht3 s ARG 770 Ca 0.62 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 3ht3 s ARG 770 Cb -0.35 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.59 3ht3 s ARG 770 CO 0.44 0.34 -0.01 0.50 0.02 0.00 0.00 175.30 176.59 3ht3 s ARG 771 N -2.48 0.61 0.25 3.54 3.52 -0.65 -4.69 118.95 119.06 3ht3 s ARG 771 Ca 0.15 0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.55 3ht3 s ARG 771 Cb -0.08 -0.88 -0.09 0.00 -1.56 0.00 0.00 34.95 32.34 3ht3 s ARG 771 CO 0.07 -0.24 0.87 0.71 -0.81 0.00 0.00 175.30 175.90 3ht3 s TYR 772 N 1.65 3.83 -0.46 5.12 1.51 -1.26 -1.52 117.35 126.22 3ht3 s TYR 772 Ca -0.00 1.74 0.07 0.00 -1.01 0.00 0.00 57.07 57.87 3ht3 s TYR 772 Cb -0.13 -2.86 0.25 0.00 -0.11 0.00 0.00 41.96 39.11 3ht3 s TYR 772 CO -0.04 0.38 0.60 1.28 -1.11 0.00 0.00 175.55 176.66 3ht3 n LEU 773 N 1.13 1.29 0.31 -1.29 4.77 -0.35 -4.94 117.00 117.91 3ht3 n LEU 773 Ca -0.02 -4.93 0.20 0.00 -0.03 0.00 0.00 56.01 51.23 3ht3 n LEU 773 Cb 0.49 0.25 0.99 0.00 -2.33 0.00 0.00 43.42 42.81 3ht3 n LEU 773 CO 0.46 2.08 1.10 1.55 -1.33 0.00 0.00 177.39 181.25 3ht3 h PRO 774 N 4.01 0.00 0.00 3.23 0.13 -1.96 -1.94 132.00 135.48 3ht3 h PRO 774 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ht3 h PRO 774 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3ht3 h PRO 774 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 3ht3 n ASP 775 N -3.05 0.00 0.22 1.44 10.43 -1.26 -4.38 116.55 119.96 3ht3 n ASP 775 Ca -0.01 0.41 0.10 0.00 2.57 0.00 0.00 54.79 57.85 3ht3 n ASP 775 Cb 0.16 -0.46 0.48 0.00 1.84 0.00 0.00 41.12 43.14 3ht3 n ASP 775 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3ht3 h ILE 776 N 0.00 0.61 -0.47 0.53 2.10 -1.66 -2.83 117.51 115.80 3ht3 h ILE 776 Ca 0.00 -1.10 0.00 0.00 1.08 0.00 0.00 64.86 64.84 3ht3 h ILE 776 Cb 0.26 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 3ht3 h ILE 776 CO 0.00 0.23 0.00 0.35 -1.08 0.00 0.00 178.15 177.65 3ht3 n THR 777 N -3.45 1.89 -1.73 2.19 -2.24 -1.26 -4.85 114.28 104.83 3ht3 n THR 777 Ca -0.00 -1.38 -0.41 0.00 -2.27 0.00 0.00 64.05 59.99 3ht3 n THR 777 Cb 0.41 0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3ht3 n THR 777 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ht3 n SER 778 N 0.47 2.94 -0.13 3.42 2.88 -1.07 -4.92 113.62 117.21 3ht3 n SER 778 Ca 0.22 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.88 3ht3 n SER 778 Cb 0.83 -1.54 0.22 0.00 -0.75 0.00 0.00 64.21 62.97 3ht3 n SER 778 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3ht3 h ARG 779 N 2.33 0.83 -6.22 -1.46 2.43 -1.94 -3.42 114.38 106.92 3ht3 h ARG 779 Ca -0.49 -0.14 -0.56 0.00 -0.81 0.00 0.00 59.98 57.99 3ht3 h ARG 779 Cb 1.28 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3ht3 h ARG 779 CO 0.61 0.70 0.81 1.21 -1.51 0.00 0.00 179.97 181.78 3ht3 s ASN 780 N -6.55 7.00 0.17 -3.80 3.84 -1.26 -4.94 114.94 109.39 3ht3 s ASN 780 Ca -0.10 1.75 -0.15 0.00 0.21 0.00 0.00 52.86 54.57 3ht3 s ASN 780 Cb 0.16 -2.55 0.13 0.00 -0.55 0.00 0.00 41.25 38.45 3ht3 s ASN 780 CO 0.79 -0.68 1.70 0.15 -2.79 0.00 0.00 177.10 176.28 3ht3 h PHE 781 N 7.84 0.04 0.43 0.43 3.57 -1.99 -1.27 116.94 125.99 3ht3 h PHE 781 Ca -0.30 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 3ht3 h PHE 781 Cb 1.13 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3ht3 h PHE 781 CO 0.77 -0.05 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.68 3ht3 h ASN 782 N 0.15 -0.49 -0.22 0.41 4.21 -1.97 0.39 115.58 118.07 3ht3 h ASN 782 Ca 0.21 -0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.73 3ht3 h ASN 782 Cb 0.29 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 3ht3 h ASN 782 CO -0.32 -0.29 0.03 0.58 -1.29 0.00 0.00 177.43 176.14 3ht3 h VAL 783 N -0.66 0.88 -0.61 2.81 2.07 -1.91 -1.63 116.25 117.21 3ht3 h VAL 783 Ca -0.06 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ht3 h VAL 783 Cb 0.48 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3ht3 h VAL 783 CO 0.10 0.02 0.30 -0.09 0.02 0.00 0.00 177.57 177.91 3ht3 h ARG 784 N 0.11 0.87 -0.32 1.57 2.43 -1.21 -2.57 114.38 115.27 3ht3 h ARG 784 Ca 0.10 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3ht3 h ARG 784 Cb 0.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3ht3 h ARG 784 CO -0.14 0.69 0.08 0.77 -1.51 0.00 0.00 179.97 179.86 3ht3 h SER 785 N 0.83 0.48 -0.47 -3.80 0.02 -0.68 0.35 113.55 110.27 3ht3 h SER 785 Ca 0.21 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3ht3 h SER 785 Cb 0.11 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3ht3 h SER 785 CO -0.03 0.59 0.25 -0.26 -1.14 0.00 0.00 176.83 176.24 3ht3 h PHE 786 N 0.35 0.47 -0.99 3.45 0.04 -1.25 -1.37 116.94 117.64 3ht3 h PHE 786 Ca 0.10 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3ht3 h PHE 786 Cb 0.29 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 3ht3 h PHE 786 CO 0.01 0.25 0.65 0.00 -0.60 0.00 0.00 178.31 178.63 3ht3 h ALA 787 N 1.24 1.28 -0.64 2.45 0.00 -1.16 -1.87 119.26 120.56 3ht3 h ALA 787 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ht3 h ALA 787 Cb 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ht3 h ALA 787 CO -0.12 0.59 0.10 0.93 0.00 0.00 0.00 179.25 180.75 3ht3 h GLU 788 N 1.29 1.05 -0.26 0.00 5.08 -0.42 -0.74 114.58 120.59 3ht3 h GLU 788 Ca 0.38 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 3ht3 h GLU 788 Cb -0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3ht3 h GLU 788 CO -0.10 0.97 -0.33 0.00 -1.00 0.00 0.00 179.01 178.54 3ht3 h ARG 789 N 0.99 0.55 -0.81 2.33 3.08 -0.98 -1.72 114.38 117.82 3ht3 h ARG 789 Ca 0.20 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3ht3 h ARG 789 Cb 0.43 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3ht3 h ARG 789 CO 0.01 0.81 0.40 0.52 -1.07 0.00 0.00 179.97 180.64 3ht3 h MET 790 N 0.47 1.16 -0.61 0.04 2.86 -1.01 -0.51 114.93 117.32 3ht3 h MET 790 Ca 0.05 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3ht3 h MET 790 Cb 0.80 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3ht3 h MET 790 CO 0.07 0.88 0.17 0.00 1.06 0.00 0.00 176.91 179.09 3ht3 h ALA 791 N 1.29 1.15 -0.41 6.32 0.00 -0.63 0.02 119.26 127.00 3ht3 h ALA 791 Ca 0.28 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3ht3 h ALA 791 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ht3 h ALA 791 CO -0.04 0.58 -0.32 0.52 0.00 0.00 0.00 179.25 179.99 3ht3 h MET 792 N 0.90 0.94 0.16 0.00 2.07 -0.98 -3.37 114.93 114.65 3ht3 h MET 792 Ca 0.20 -0.47 -0.31 0.00 -2.07 0.00 0.00 59.70 57.05 3ht3 h MET 792 Cb 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 3ht3 h MET 792 CO -0.01 1.13 -1.57 -0.97 1.07 0.00 0.00 176.91 176.56 3ht3 h ASN 793 N 0.77 0.51 -0.79 1.22 -0.73 -0.79 -3.40 115.58 112.38 3ht3 h ASN 793 Ca 0.08 -0.90 0.06 0.00 1.87 0.00 0.00 56.30 57.41 3ht3 h ASN 793 Cb 0.91 -0.17 -0.06 0.00 0.27 0.00 0.00 38.32 39.28 3ht3 h ASN 793 CO 0.08 1.70 0.47 0.74 -0.37 0.00 0.00 177.43 180.06 3ht3 h THR 794 N -0.09 1.00 -0.05 -3.57 2.02 -1.16 -1.11 112.91 109.96 3ht3 h THR 794 Ca -0.32 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 3ht3 h THR 794 Cb 1.94 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3ht3 h THR 794 CO 0.13 0.16 -0.05 -0.65 0.37 0.00 0.00 175.52 175.47 3ht3 h PRO 795 N 0.85 0.07 0.00 6.66 0.11 -1.77 0.25 132.00 138.17 3ht3 h PRO 795 Ca 0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 3ht3 h PRO 795 Cb 0.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3ht3 h PRO 795 CO -0.18 0.13 -0.07 0.82 -0.21 0.00 0.00 178.00 178.49 3ht3 h ILE 796 N 0.07 0.47 -0.99 4.15 1.08 -1.52 -2.05 117.51 118.73 3ht3 h ILE 796 Ca 0.02 -1.36 0.01 0.00 -0.39 0.00 0.00 64.86 63.13 3ht3 h ILE 796 Cb 0.14 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 3ht3 h ILE 796 CO 0.01 0.16 0.65 -0.61 -0.69 0.00 0.00 178.15 177.67 3ht3 h GLN 797 N -1.00 1.29 -0.34 2.37 4.15 -1.26 -1.71 115.11 118.62 3ht3 h GLN 797 Ca -0.01 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 59.17 3ht3 h GLN 797 Cb 0.32 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3ht3 h GLN 797 CO -0.01 0.86 -0.43 0.78 -1.93 0.00 0.00 178.83 178.10 3ht3 h GLY 798 N 1.33 0.93 1.05 2.39 0.00 -0.62 -1.63 103.07 106.53 3ht3 h GLY 798 Ca 0.36 -0.98 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 3ht3 h GLY 798 CO -0.08 0.89 0.13 1.76 0.00 0.00 0.00 176.54 179.24 3ht3 h SER 799 N 0.69 1.02 -0.98 0.19 0.02 -1.22 -0.56 113.55 112.69 3ht3 h SER 799 Ca 0.05 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3ht3 h SER 799 Cb 1.01 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 3ht3 h SER 799 CO 0.10 1.00 0.64 0.00 -1.14 0.00 0.00 176.83 177.43 3ht3 h ALA 800 N 1.05 1.31 -0.53 3.77 0.00 -1.19 -1.30 119.26 122.37 3ht3 h ALA 800 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ht3 h ALA 800 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ht3 h ALA 800 CO 0.01 0.52 0.26 0.00 0.00 0.00 0.00 179.25 180.04 3ht3 h ALA 801 N 1.41 0.68 -0.30 0.00 0.00 -0.79 -2.49 119.26 117.77 3ht3 h ALA 801 Ca 0.39 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3ht3 h ALA 801 Cb 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3ht3 h ALA 801 CO -0.13 0.24 -0.01 -0.44 0.00 0.00 0.00 179.25 178.91 3ht3 h ASP 802 N 0.71 -0.14 0.00 0.00 3.45 -0.74 -2.07 116.42 117.63 3ht3 h ASP 802 Ca 0.18 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 3ht3 h ASP 802 Cb 0.10 0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3ht3 h ASP 802 CO -0.02 -0.04 -0.00 0.40 -1.57 0.00 0.00 179.24 178.01 3ht3 h ILE 803 N 0.07 1.07 -0.01 0.35 2.04 -1.05 -1.94 117.51 118.04 3ht3 h ILE 803 Ca 0.15 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3ht3 h ILE 803 Cb 0.20 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3ht3 h ILE 803 CO -0.25 0.06 -0.35 -0.29 0.00 0.00 0.00 178.15 177.31 3ht3 h ILE 804 N -0.09 1.25 -0.33 -0.67 2.10 -1.39 -0.92 117.51 117.46 3ht3 h ILE 804 Ca -0.00 -1.21 -0.05 0.00 1.08 0.00 0.00 64.86 64.68 3ht3 h ILE 804 Cb 0.09 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 3ht3 h ILE 804 CO 0.00 0.35 0.02 0.11 -1.08 0.00 0.00 178.15 177.55 3ht3 h LYS 805 N 0.02 0.57 -0.50 2.19 1.57 -1.10 -1.41 116.57 117.91 3ht3 h LYS 805 Ca -0.00 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3ht3 h LYS 805 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3ht3 h LYS 805 CO 0.05 0.68 0.03 -0.22 -0.57 0.00 0.00 179.45 179.41 3ht3 h LYS 806 N 0.38 0.81 -0.85 3.15 3.64 -1.08 -2.51 116.57 120.12 3ht3 h LYS 806 Ca 0.10 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3ht3 h LYS 806 Cb 0.41 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3ht3 h LYS 806 CO 0.01 0.79 0.55 0.00 -2.27 0.00 0.00 179.45 178.54 3ht3 h ALA 807 N 1.27 1.38 -0.66 5.00 0.00 -0.89 -1.05 119.26 124.30 3ht3 h ALA 807 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ht3 h ALA 807 Cb 0.42 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ht3 h ALA 807 CO 0.02 0.57 0.25 0.52 0.00 0.00 0.00 179.25 180.61 3ht3 h MET 808 N 1.15 1.00 -0.11 0.00 2.86 -0.85 -0.61 114.93 118.37 3ht3 h MET 808 Ca 0.31 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3ht3 h MET 808 Cb -0.12 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 3ht3 h MET 808 CO -0.06 0.84 -0.05 0.82 1.06 0.00 0.00 176.91 179.52 3ht3 h ILE 809 N 0.94 1.31 -0.68 -1.22 2.04 -1.16 -1.82 117.51 116.92 3ht3 h ILE 809 Ca 0.22 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.10 3ht3 h ILE 809 Cb 0.22 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3ht3 h ILE 809 CO -0.02 0.30 0.36 0.44 0.00 0.00 0.00 178.15 179.24 3ht3 h ASP 810 N -0.11 0.51 -0.06 1.72 3.32 -1.15 -2.71 116.42 117.95 3ht3 h ASP 810 Ca 0.03 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ht3 h ASP 810 Cb 0.50 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 3ht3 h ASP 810 CO 0.02 0.32 0.02 0.25 -1.72 0.00 0.00 179.24 178.13 3ht3 h LEU 811 N 0.65 0.08 -0.80 1.55 5.85 -0.99 -2.54 115.31 119.11 3ht3 h LEU 811 Ca 0.32 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3ht3 h LEU 811 Cb 0.26 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3ht3 h LEU 811 CO -0.22 0.21 0.49 0.78 -0.34 0.00 0.00 178.44 179.36 3ht3 h ASN 812 N -0.06 0.77 -0.35 1.25 4.21 -1.23 -0.05 115.58 120.13 3ht3 h ASN 812 Ca 0.02 0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.62 3ht3 h ASN 812 Cb 0.16 -0.15 -0.07 0.00 -1.12 0.00 0.00 38.32 37.14 3ht3 h ASN 812 CO -0.00 0.50 -0.11 0.00 -1.29 0.00 0.00 177.43 176.53 3ht3 h ALA 813 N 1.37 0.20 -0.37 -0.83 0.00 -1.42 -0.10 119.26 118.11 3ht3 h ALA 813 Ca 0.34 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 3ht3 h ALA 813 Cb 0.14 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ht3 h ALA 813 CO -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.58 3ht3 h ARG 814 N -0.03 0.68 -0.53 0.00 2.47 -0.90 0.51 114.38 116.58 3ht3 h ARG 814 Ca 0.17 -0.23 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3ht3 h ARG 814 Cb 0.29 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 3ht3 h ARG 814 CO -0.37 0.80 0.27 -0.07 0.56 0.00 0.00 179.97 181.16 3ht3 h LEU 815 N 0.49 0.40 -1.10 3.04 3.38 -0.92 -0.72 115.31 119.88 3ht3 h LEU 815 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3ht3 h LEU 815 Cb 0.52 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3ht3 h LEU 815 CO 0.03 0.27 -0.29 0.50 0.09 0.00 0.00 178.44 179.04 3ht3 h LYS 816 N 0.53 0.27 -0.06 1.13 3.64 -0.85 -1.65 116.57 119.57 3ht3 h LYS 816 Ca 0.23 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ht3 h LYS 816 Cb 0.14 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ht3 h LYS 816 CO -0.16 0.54 0.04 1.49 -2.27 0.00 0.00 179.45 179.09 3ht3 h GLU 817 N 0.24 0.09 -0.64 1.90 4.81 0.86 -3.09 114.58 118.74 3ht3 h GLU 817 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ht3 h GLU 817 Cb 0.64 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3ht3 h GLU 817 CO 0.05 0.10 0.00 0.39 -0.73 0.00 0.00 179.01 178.82 3ht3 n GLU 818 N -5.02 3.17 -4.15 1.92 1.02 -0.35 -4.95 120.64 112.27 3ht3 n GLU 818 Ca -0.06 -2.41 -0.34 0.00 -0.02 0.00 0.00 57.16 54.33 3ht3 n GLU 818 Cb 0.05 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.71 3ht3 n GLU 818 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ht3 n ARG 819 N 1.02 -3.41 -3.00 3.49 5.12 -0.92 -4.95 116.66 114.01 3ht3 n ARG 819 Ca 0.22 0.40 -0.35 0.00 -1.93 0.00 0.00 57.85 56.19 3ht3 n ARG 819 Cb 0.73 -5.03 -0.06 0.00 -1.16 0.00 0.00 32.46 26.93 3ht3 n ARG 819 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ht3 s LEU 820 N -7.23 4.20 0.20 0.55 1.43 -0.67 -4.97 118.68 112.20 3ht3 s LEU 820 Ca 0.61 1.51 0.25 0.00 -1.03 0.00 0.00 54.13 55.47 3ht3 s LEU 820 Cb -0.33 -3.97 0.88 0.00 0.03 0.00 0.00 46.19 42.80 3ht3 s LEU 820 CO 0.91 -0.12 1.76 0.00 0.23 0.00 0.00 176.35 179.14 3ht3 n GLN 821 N 0.16 0.22 -1.65 1.70 6.02 -1.26 -4.77 117.38 117.80 3ht3 n GLN 821 Ca 0.02 0.26 -0.45 0.00 -0.01 0.00 0.00 57.00 56.81 3ht3 n GLN 821 Cb 0.52 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 3ht3 n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ht3 n ALA 822 N -1.76 0.72 -3.00 -1.58 0.00 -1.26 -4.87 120.51 108.75 3ht3 n ALA 822 Ca 0.05 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 3ht3 n ALA 822 Cb 0.37 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 3ht3 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3ht3 s HIS 823 N -0.16 -0.05 0.24 0.00 -3.43 -0.95 -4.94 115.29 106.00 3ht3 s HIS 823 Ca 0.68 -0.07 -0.30 0.00 -0.80 0.00 0.00 55.06 54.57 3ht3 s HIS 823 Cb -0.69 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.41 3ht3 s HIS 823 CO 0.51 -0.44 1.26 -0.51 -2.00 0.00 0.00 174.74 173.56 3ht3 s LEU 824 N -1.88 4.45 -0.19 5.38 1.43 -1.26 -2.18 118.68 124.43 3ht3 s LEU 824 Ca -0.07 2.43 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 3ht3 s LEU 824 Cb -0.02 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 3ht3 s LEU 824 CO -0.02 -0.44 -0.19 0.18 0.23 0.00 0.00 176.35 176.11 3ht3 n LEU 825 N 1.92 2.54 -3.83 1.79 4.77 0.75 -4.60 117.00 120.35 3ht3 n LEU 825 Ca 0.03 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 3ht3 n LEU 825 Cb 0.43 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 3ht3 n LEU 825 CO 0.57 0.70 -0.10 -0.76 -1.33 0.00 0.00 177.39 176.47 3ht3 s LEU 826 N -6.36 1.27 -0.07 2.23 1.43 -0.86 -4.81 118.68 111.52 3ht3 s LEU 826 Ca -0.26 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3ht3 s LEU 826 Cb 0.08 0.89 -0.01 0.00 0.03 0.00 0.00 46.19 47.18 3ht3 s LEU 826 CO 0.40 -0.37 -0.24 -1.58 0.23 0.00 0.00 176.35 174.79 3ht3 s GLN 827 N -1.22 2.61 -0.53 1.70 -0.44 -1.26 -0.24 119.66 120.27 3ht3 s GLN 827 Ca -0.13 -0.88 0.07 0.00 -2.50 0.00 0.00 55.36 51.91 3ht3 s GLN 827 Cb -0.06 -2.16 0.34 0.00 -1.64 0.00 0.00 33.01 29.49 3ht3 s GLN 827 CO 0.02 0.33 0.90 0.28 0.50 0.00 0.00 175.29 177.32 3ht3 n VAL 828 N 3.07 2.30 0.00 1.34 0.31 -0.21 -4.84 118.33 120.31 3ht3 n VAL 828 Ca -0.18 -5.35 0.00 0.00 -0.01 0.00 0.00 64.34 58.80 3ht3 n VAL 828 Cb 0.52 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 3ht3 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3ht3 n HIS 829 N -0.12 0.00 -1.51 3.52 -0.00 -1.26 -3.36 115.22 112.48 3ht3 n HIS 829 Ca 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.03 3ht3 n HIS 829 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.47 3ht3 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3ht3 n ASP 830 N 1.82 0.52 -3.95 0.41 5.68 -1.26 -4.79 116.55 114.98 3ht3 n ASP 830 Ca 0.00 -1.98 -0.09 0.00 -0.50 0.00 0.00 54.79 52.22 3ht3 n ASP 830 Cb 0.00 -0.19 -0.10 0.00 -1.14 0.00 0.00 41.12 39.69 3ht3 n ASP 830 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3ht3 s GLU 831 N -0.55 0.45 -0.06 0.11 -1.05 -1.21 -0.33 118.70 116.06 3ht3 s GLU 831 Ca 0.05 -0.66 0.05 0.00 -0.15 0.00 0.00 54.97 54.27 3ht3 s GLU 831 Cb 0.05 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3ht3 s GLU 831 CO 0.01 -0.10 -0.23 -0.51 0.95 0.00 0.00 175.26 175.38 3ht3 s LEU 832 N -1.76 2.03 -0.12 1.83 1.43 0.54 -1.04 118.68 121.58 3ht3 s LEU 832 Ca -0.11 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3ht3 s LEU 832 Cb -0.05 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3ht3 s LEU 832 CO -0.02 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.99 3ht3 s ILE 833 N -0.02 2.94 0.26 -0.59 1.01 0.67 -1.56 121.20 123.91 3ht3 s ILE 833 Ca -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3ht3 s ILE 833 Cb -0.14 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3ht3 s ILE 833 CO 0.04 0.53 -0.05 -0.76 0.00 0.00 0.00 174.94 174.70 3ht3 s LEU 834 N 0.29 2.41 0.05 2.97 1.02 0.16 -0.18 118.68 125.40 3ht3 s LEU 834 Ca -0.11 -1.18 0.05 0.00 0.02 0.00 0.00 54.13 52.91 3ht3 s LEU 834 Cb -0.16 -0.52 -0.02 0.00 0.02 0.00 0.00 46.19 45.50 3ht3 s LEU 834 CO 0.06 -0.38 -0.14 -1.83 0.02 0.00 0.00 176.35 174.08 3ht3 s GLU 835 N -3.76 0.88 0.08 1.70 -1.05 -0.93 -0.34 118.70 115.28 3ht3 s GLU 835 Ca 0.28 -0.84 -0.25 0.00 -0.15 0.00 0.00 54.97 54.02 3ht3 s GLU 835 Cb 0.04 -0.89 0.07 0.00 -0.44 0.00 0.00 34.13 32.91 3ht3 s GLU 835 CO 0.10 0.21 0.60 0.00 0.95 0.00 0.00 175.26 177.12 3ht3 s ALA 836 N -1.03 -1.57 0.40 -0.84 0.00 -0.72 -2.24 121.76 115.76 3ht3 s ALA 836 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 3ht3 s ALA 836 Cb -0.09 0.55 -0.11 0.00 0.00 0.00 0.00 23.12 23.47 3ht3 s ALA 836 CO 0.02 -0.61 1.25 -2.30 0.00 0.00 0.00 175.76 174.12 3ht3 n PRO 837 N 0.12 1.94 -0.04 0.00 -0.02 -1.26 0.30 135.00 136.04 3ht3 n PRO 837 Ca -0.18 0.69 0.20 0.00 -2.02 0.00 0.00 63.50 62.19 3ht3 n PRO 837 Cb 0.62 -2.34 0.66 0.00 -0.02 0.00 0.00 33.50 32.42 3ht3 n PRO 837 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3ht3 h LYS 838 N 2.18 0.07 0.00 -0.52 2.10 -1.38 0.10 116.57 119.12 3ht3 h LYS 838 Ca -0.47 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 3ht3 h LYS 838 Cb 1.29 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3ht3 h LYS 838 CO 0.60 0.05 -0.07 0.93 -2.00 0.00 0.00 179.45 178.96 3ht3 h GLU 839 N 0.07 0.00 -0.01 0.07 3.07 -1.89 -2.58 114.58 113.31 3ht3 h GLU 839 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3ht3 h GLU 839 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3ht3 h GLU 839 CO -0.02 0.07 -0.03 0.39 -1.40 0.00 0.00 179.01 178.01 3ht3 n GLU 840 N -3.68 1.16 -0.17 2.33 1.02 0.35 -4.43 120.64 117.21 3ht3 n GLU 840 Ca -0.02 -0.42 -0.10 0.00 -0.02 0.00 0.00 57.16 56.60 3ht3 n GLU 840 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3ht3 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3ht3 h MET 841 N 1.02 0.85 0.00 3.49 2.86 -1.58 -2.45 114.93 119.12 3ht3 h MET 841 Ca 0.00 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 3ht3 h MET 841 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ht3 h MET 841 CO 0.00 0.90 -0.29 1.49 1.06 0.00 0.00 176.91 180.07 3ht3 h GLU 842 N 0.71 0.00 0.23 1.72 4.81 -1.83 -1.09 114.58 119.12 3ht3 h GLU 842 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3ht3 h GLU 842 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3ht3 h GLU 842 CO 0.03 0.29 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.40 3ht3 h ARG 843 N 0.00 -0.29 -0.80 1.92 9.65 -1.83 -3.26 114.38 119.77 3ht3 h ARG 843 Ca -0.00 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.08 3ht3 h ARG 843 Cb 0.60 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.19 3ht3 h ARG 843 CO 0.04 0.08 0.54 -0.07 2.80 0.00 0.00 179.97 183.36 3ht3 h LEU 844 N -0.82 0.27 -1.71 3.80 4.07 -1.18 0.24 115.31 119.98 3ht3 h LEU 844 Ca -0.03 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3ht3 h LEU 844 Cb 0.51 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 3ht3 h LEU 844 CO 0.05 0.12 -0.17 0.00 -1.08 0.00 0.00 178.44 177.37 3ht3 n ARG 846 N -3.71 0.59 0.07 0.00 1.74 0.55 -4.56 116.66 111.34 3ht3 n ARG 846 Ca -0.02 0.46 -0.11 0.00 -0.77 0.00 0.00 57.85 57.41 3ht3 n ARG 846 Cb 0.28 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 3ht3 n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ht3 h LEU 847 N -0.85 -0.20 -0.03 0.55 5.85 -0.75 -3.18 115.31 116.70 3ht3 h LEU 847 Ca -0.44 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 57.95 3ht3 h LEU 847 Cb 1.48 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 3ht3 h LEU 847 CO -0.22 0.33 -0.08 0.58 -0.34 0.00 0.00 178.44 178.71 3ht3 h VAL 848 N -0.82 0.80 -0.47 1.05 2.07 -1.60 -1.59 116.25 115.68 3ht3 h VAL 848 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3ht3 h VAL 848 Cb 0.52 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ht3 h VAL 848 CO 0.04 0.00 0.05 -0.65 0.02 0.00 0.00 177.57 177.03 3ht3 h PRO 849 N -0.12 0.74 -0.15 1.57 0.11 -1.75 -1.81 132.00 130.60 3ht3 h PRO 849 Ca 0.04 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3ht3 h PRO 849 Cb 0.17 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3ht3 h PRO 849 CO -0.10 0.72 -0.04 1.49 -0.21 0.00 0.00 178.00 179.85 3ht3 h GLU 850 N 0.70 0.30 -0.52 1.05 4.81 -1.48 -1.30 114.58 118.14 3ht3 h GLU 850 Ca 0.15 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3ht3 h GLU 850 Cb 0.36 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3ht3 h GLU 850 CO 0.01 0.59 0.27 0.28 -0.73 0.00 0.00 179.01 179.43 3ht3 h VAL 851 N -0.01 0.97 -0.42 0.32 2.07 -1.23 -1.01 116.25 116.94 3ht3 h VAL 851 Ca 0.04 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3ht3 h VAL 851 Cb 0.48 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3ht3 h VAL 851 CO 0.02 0.10 0.12 0.24 0.02 0.00 0.00 177.57 178.07 3ht3 h MET 852 N 0.53 0.66 0.00 1.57 2.86 -1.32 -2.57 114.93 116.66 3ht3 h MET 852 Ca 0.23 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ht3 h MET 852 Cb 0.12 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3ht3 h MET 852 CO -0.15 0.66 -0.18 0.93 1.06 0.00 0.00 176.91 179.23 3ht3 h GLU 853 N 0.54 0.00 -0.33 1.72 5.08 -0.92 -3.15 114.58 117.53 3ht3 h GLU 853 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ht3 h GLU 853 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ht3 h GLU 853 CO -0.00 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.23 3ht3 n GLN 854 N -3.33 2.26 -0.25 2.33 1.13 -0.41 -4.50 117.38 114.60 3ht3 n GLN 854 Ca 0.00 -2.07 0.01 0.00 -1.94 0.00 0.00 57.00 53.00 3ht3 n GLN 854 Cb 0.41 -1.42 0.13 0.00 0.11 0.00 0.00 30.24 29.47 3ht3 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ht3 h ALA 855 N 3.63 1.00 -2.24 -1.58 0.00 -1.41 -3.42 119.26 115.23 3ht3 h ALA 855 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.57 3ht3 h ALA 855 Cb 0.85 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 3ht3 h ALA 855 CO 0.00 0.03 -0.63 0.14 0.00 0.00 0.00 179.25 178.79 3ht3 s VAL 856 N -6.07 0.82 -0.18 0.00 -7.23 -1.26 -4.90 120.40 101.58 3ht3 s VAL 856 Ca -0.13 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3ht3 s VAL 856 Cb 0.18 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3ht3 s VAL 856 CO 0.77 -0.16 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.39 3ht3 s THR 857 N -3.57 2.79 0.45 5.32 2.01 -1.26 -4.96 115.64 116.41 3ht3 s THR 857 Ca 0.33 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.68 3ht3 s THR 857 Cb 0.07 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3ht3 s THR 857 CO 0.11 0.49 0.17 -0.76 -0.69 0.00 0.00 174.62 173.94 3ht3 s LEU 858 N 1.16 2.91 0.00 4.42 1.43 -1.26 -5.01 118.68 122.33 3ht3 s LEU 858 Ca 0.01 -1.22 0.10 0.00 -1.03 0.00 0.00 54.13 52.00 3ht3 s LEU 858 Cb -0.14 -1.24 0.49 0.00 0.03 0.00 0.00 46.19 45.32 3ht3 s LEU 858 CO -0.05 -0.67 1.25 0.54 0.23 0.00 0.00 176.35 177.66 3ht3 n ARG 859 N -1.30 0.10 -4.15 1.70 1.74 -1.26 -4.67 116.66 108.81 3ht3 n ARG 859 Ca -0.04 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 3ht3 n ARG 859 Cb 0.65 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.48 3ht3 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ht3 s VAL 860 N -2.71 0.79 0.59 1.55 -7.23 -1.26 -4.97 120.40 107.15 3ht3 s VAL 860 Ca 0.08 -1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 3ht3 s VAL 860 Cb 0.07 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3ht3 s VAL 860 CO 0.16 -0.62 1.14 -2.16 -0.31 0.00 0.00 175.10 173.32 3ht3 s PRO 861 N -2.88 3.08 -0.03 4.82 0.04 -1.26 -5.04 135.00 133.74 3ht3 s PRO 861 Ca 0.04 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 3ht3 s PRO 861 Cb -0.02 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3ht3 s PRO 861 CO -0.01 -1.07 0.35 -0.51 0.04 0.00 0.00 177.00 175.80 3ht3 s LEU 862 N -4.18 4.46 -0.07 -3.56 1.43 -1.26 -4.98 118.68 110.52 3ht3 s LEU 862 Ca 0.72 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.73 3ht3 s LEU 862 Cb -0.25 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 3ht3 s LEU 862 CO 0.32 0.34 -0.22 -0.75 0.23 0.00 0.00 176.35 176.27 3ht3 s LYS 863 N -1.05 2.49 -0.08 1.70 2.20 -1.26 -4.81 119.74 118.93 3ht3 s LYS 863 Ca 0.22 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 3ht3 s LYS 863 Cb -0.16 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 3ht3 s LYS 863 CO 0.11 0.26 -0.14 0.08 -0.36 0.00 0.00 175.35 175.30 3ht3 s VAL 864 N 0.12 1.30 0.17 4.02 1.01 -1.26 -0.65 120.40 125.12 3ht3 s VAL 864 Ca -0.10 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3ht3 s VAL 864 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3ht3 s VAL 864 CO 0.05 0.39 0.25 -1.81 0.00 0.00 0.00 175.10 173.99 3ht3 s ASP 865 N 0.70 6.07 -0.03 3.32 -0.00 0.17 -4.91 116.67 121.99 3ht3 s ASP 865 Ca -0.13 0.05 -0.19 0.00 -0.00 0.00 0.00 52.55 52.27 3ht3 s ASP 865 Cb -0.16 -1.75 0.04 0.00 -0.00 0.00 0.00 42.92 41.05 3ht3 s ASP 865 CO 0.03 0.03 0.42 -0.72 -0.00 0.00 0.00 175.17 174.93 3ht3 s TYR 866 N -1.81 -0.33 0.11 4.23 -0.85 -1.26 0.04 117.35 117.48 3ht3 s TYR 866 Ca 0.33 0.55 -0.16 0.00 -0.52 0.00 0.00 57.07 57.28 3ht3 s TYR 866 Cb -0.10 0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.46 3ht3 s TYR 866 CO 0.27 -0.44 0.38 -1.01 -1.52 0.00 0.00 175.55 173.23 3ht3 s HIS 867 N -1.22 -0.18 0.13 -3.49 0.09 -0.29 -5.00 115.29 105.32 3ht3 s HIS 867 Ca -0.12 -0.09 -0.05 0.00 -0.00 0.00 0.00 55.06 54.79 3ht3 s HIS 867 Cb -0.04 0.22 -0.02 0.00 -0.00 0.00 0.00 32.58 32.74 3ht3 s HIS 867 CO 0.06 -0.66 0.16 1.52 -0.00 0.00 0.00 174.74 175.82 3ht3 s TYR 868 N -3.54 0.52 -0.73 1.40 -0.85 -1.26 -0.33 117.35 112.56 3ht3 s TYR 868 Ca 0.01 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.64 3ht3 s TYR 868 Cb 0.02 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.12 3ht3 s TYR 868 CO -0.10 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 3ht3 n GLY 869 N -0.11 -1.32 0.25 5.49 0.00 -0.31 -4.30 105.19 104.89 3ht3 n GLY 869 Ca -0.09 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.10 3ht3 n GLY 869 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ht3 h SER 870 N 0.00 0.00 -5.36 1.61 0.02 -1.87 0.61 113.55 108.56 3ht3 h SER 870 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3ht3 h SER 870 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 3ht3 h SER 870 CO 0.00 0.05 -0.62 0.42 -1.14 0.00 0.00 176.83 175.54 3ht3 s THR 871 N -3.54 0.12 0.24 -2.27 -4.23 -1.26 -4.35 115.64 100.34 3ht3 s THR 871 Ca 0.03 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 3ht3 s THR 871 Cb 0.08 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.63 3ht3 s THR 871 CO 0.59 -0.03 1.87 -0.25 -0.54 0.00 0.00 174.62 176.27 3ht3 h TRP 872 N 2.59 1.04 -0.71 3.99 7.01 -1.17 -1.72 115.95 126.98 3ht3 h TRP 872 Ca -0.36 0.03 0.14 0.00 2.11 0.00 0.00 58.89 60.81 3ht3 h TRP 872 Cb 1.25 -0.34 -0.10 0.00 -2.10 0.00 0.00 29.16 27.86 3ht3 h TRP 872 CO 0.38 0.58 0.21 -0.92 -2.79 0.00 0.00 178.44 175.90 3ht3 h TYR 873 N 1.07 0.34 0.00 2.65 3.20 -1.66 -2.37 116.97 120.20 3ht3 h TYR 873 Ca 0.35 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3ht3 h TYR 873 Cb 0.04 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3ht3 h TYR 873 CO -0.02 -0.02 0.00 -0.44 -1.64 0.00 0.00 178.16 176.04 3ht3 h ASP 874 N 0.33 0.00 0.00 -2.11 5.19 -1.64 -3.32 116.42 114.86 3ht3 h ASP 874 Ca 0.39 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 56.36 3ht3 h ASP 874 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3ht3 h ASP 874 CO -0.45 0.00 2.45 0.00 -3.12 0.00 0.00 179.24 178.12 3ht3 n ALA 875 N -1.96 6.01 -0.35 3.45 0.00 -0.87 -4.37 120.51 122.42 3ht3 n ALA 875 Ca 0.04 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 51.00 3ht3 n ALA 875 Cb 0.44 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.91 3ht3 n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86