#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u45 s ALA 298 N 0.00 1.80 -0.21 0.00 0.00 -1.26 -5.13 121.76 116.96 1u45 s ALA 298 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1u45 s ALA 298 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1u45 s ALA 298 CO 0.00 0.35 0.25 1.41 0.00 0.00 0.00 175.76 177.77 1u45 s MET 299 N -1.95 4.15 0.21 0.00 1.75 -1.26 -5.06 119.30 117.14 1u45 s MET 299 Ca 0.07 -0.05 -0.30 0.00 -1.25 0.00 0.00 55.69 54.15 1u45 s MET 299 Cb -0.10 -3.50 -0.08 0.00 2.84 0.00 0.00 34.83 33.99 1u45 s MET 299 CO 0.04 0.09 1.18 0.00 -0.65 0.00 0.00 175.02 175.68 1u45 s ALA 300 N 0.94 3.43 0.13 4.11 0.00 -1.26 -5.03 121.76 124.07 1u45 s ALA 300 Ca 0.13 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 1u45 s ALA 300 Cb -0.13 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.67 1u45 s ALA 300 CO 0.05 -0.33 0.65 -0.59 0.00 0.00 0.00 175.76 175.54 1u45 s PHE 301 N -0.31 -0.50 -0.24 0.00 -0.12 -1.26 -4.69 117.98 110.86 1u45 s PHE 301 Ca 0.51 0.31 -0.13 0.00 -0.05 0.00 0.00 56.93 57.58 1u45 s PHE 301 Cb -0.33 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1u45 s PHE 301 CO 0.38 -0.79 0.26 0.99 -0.05 0.00 0.00 175.22 176.01 1u45 s THR 302 N -3.61 5.29 -0.87 -4.49 2.01 0.15 -4.99 115.64 109.13 1u45 s THR 302 Ca 0.02 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 1u45 s THR 302 Cb -0.01 -3.59 0.17 0.00 0.01 0.00 0.00 72.50 69.08 1u45 s THR 302 CO -0.12 0.28 0.94 -0.22 -0.69 0.00 0.00 174.62 174.82 1u45 s LEU 303 N 1.34 5.86 0.32 4.42 0.20 -1.26 -0.76 118.68 128.80 1u45 s LEU 303 Ca 0.12 -2.32 -0.27 0.00 0.69 0.00 0.00 54.13 52.34 1u45 s LEU 303 Cb -0.14 -2.31 -0.09 0.00 -0.43 0.00 0.00 46.19 43.22 1u45 s LEU 303 CO 0.07 -0.84 1.04 0.00 -0.29 0.00 0.00 176.35 176.33 1u45 s ALA 304 N 1.51 3.27 -1.14 5.97 0.00 -0.78 -4.96 121.76 125.63 1u45 s ALA 304 Ca 0.25 0.76 0.22 0.00 0.00 0.00 0.00 51.96 53.19 1u45 s ALA 304 Cb -0.08 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1u45 s ALA 304 CO -0.09 -0.09 1.08 -0.25 0.00 0.00 0.00 175.76 176.42 1u45 n ASP 305 N 0.76 0.98 -3.62 0.00 9.92 -1.26 -4.49 116.55 118.83 1u45 n ASP 305 Ca 0.01 -0.86 -0.15 0.00 -0.53 0.00 0.00 54.79 53.27 1u45 n ASP 305 Cb 0.47 0.72 -0.06 0.00 -0.64 0.00 0.00 41.12 41.60 1u45 n ASP 305 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u45 s ARG 306 N -2.92 0.94 0.27 -1.24 1.70 -1.26 -5.01 118.95 111.43 1u45 s ARG 306 Ca 0.11 -0.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.95 1u45 s ARG 306 Cb 0.17 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.88 1u45 s ARG 306 CO 0.78 -0.31 1.12 0.08 -1.08 0.00 0.00 175.30 175.89 1u45 s VAL 307 N -1.88 3.45 0.25 4.99 1.01 -1.26 -5.05 120.40 121.91 1u45 s VAL 307 Ca -0.09 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.41 1u45 s VAL 307 Cb -0.02 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1u45 s VAL 307 CO 0.03 0.33 -0.12 0.42 0.00 0.00 0.00 175.10 175.76 1u45 s THR 308 N -1.06 1.84 0.18 3.92 -4.23 -1.26 -5.06 115.64 109.97 1u45 s THR 308 Ca 0.45 -2.21 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1u45 s THR 308 Cb -0.32 -2.26 0.13 0.00 1.34 0.00 0.00 72.50 71.39 1u45 s THR 308 CO 0.41 -0.44 1.66 -0.08 -0.54 0.00 0.00 174.62 175.63 1u45 h GLU 309 N 2.39 0.03 0.00 3.99 4.57 -1.99 -1.16 114.58 122.41 1u45 h GLU 309 Ca -0.39 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1u45 h GLU 309 Cb 1.23 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1u45 h GLU 309 CO 0.64 0.02 0.00 -0.85 -1.18 0.00 0.00 179.01 177.64 1u45 n GLU 310 N -5.31 0.01 0.00 1.92 0.28 -1.26 -0.61 120.64 115.67 1u45 n GLU 310 Ca 0.04 0.40 0.13 0.00 -0.16 0.00 0.00 57.16 57.58 1u45 n GLU 310 Cb 0.25 -1.50 0.42 0.00 1.43 0.00 0.00 31.44 32.04 1u45 n GLU 310 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1u45 n MET 311 N -1.48 0.34 -1.07 3.44 2.81 -0.44 -3.96 117.12 116.76 1u45 n MET 311 Ca 0.01 -0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.61 1u45 n MET 311 Cb 0.05 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.23 1u45 n MET 311 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u45 n LEU 312 N -1.19 5.08 -4.60 4.03 4.77 0.22 -5.02 117.00 120.29 1u45 n LEU 312 Ca 0.09 -3.90 -0.30 0.00 -0.03 0.00 0.00 56.01 51.87 1u45 n LEU 312 Cb 0.32 -0.68 0.20 0.00 -2.33 0.00 0.00 43.42 40.93 1u45 n LEU 312 CO 0.29 1.33 0.62 0.00 -1.33 0.00 0.00 177.39 178.31 1u45 s ALA 313 N -3.36 0.74 -2.02 -1.18 0.00 -1.25 -4.90 121.76 109.79 1u45 s ALA 313 Ca 0.50 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1u45 s ALA 313 Cb 0.43 -3.39 0.29 0.00 0.00 0.00 0.00 23.12 20.45 1u45 s ALA 313 CO 0.02 -3.20 1.21 -0.40 0.00 0.00 0.00 175.76 173.40 1u45 n ASP 314 N -4.52 0.74 -3.67 0.00 5.68 -1.26 -4.69 116.55 108.84 1u45 n ASP 314 Ca 0.09 -1.91 -0.09 0.00 -0.50 0.00 0.00 54.79 52.38 1u45 n ASP 314 Cb 0.53 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 40.32 1u45 n ASP 314 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1u45 s LYS 315 N -1.83 0.33 0.03 0.11 2.36 -1.25 -1.22 119.74 118.27 1u45 s LYS 315 Ca 0.14 0.93 -0.27 0.00 -2.55 0.00 0.00 55.97 54.22 1u45 s LYS 315 Cb 0.07 0.19 0.09 0.00 -1.05 0.00 0.00 37.83 37.13 1u45 s LYS 315 CO 0.10 -0.22 0.78 0.00 1.55 0.00 0.00 175.35 177.56 1u45 s ALA 316 N 2.22 -1.75 -0.16 3.13 0.00 -0.70 -4.50 121.76 119.99 1u45 s ALA 316 Ca -0.04 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 1u45 s ALA 316 Cb -0.11 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1u45 s ALA 316 CO -0.12 -0.66 0.38 0.00 0.00 0.00 0.00 175.76 175.36 1u45 s ALA 317 N -3.00 3.55 -0.05 0.00 0.00 0.17 -0.72 121.76 121.70 1u45 s ALA 317 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1u45 s ALA 317 Cb -0.01 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 1u45 s ALA 317 CO -0.08 -0.07 -0.23 -1.17 0.00 0.00 0.00 175.76 174.22 1u45 s LEU 318 N 0.80 2.02 -0.16 0.00 2.96 0.44 -1.61 118.68 123.12 1u45 s LEU 318 Ca 0.20 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1u45 s LEU 318 Cb -0.14 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.33 1u45 s LEU 318 CO 0.07 0.21 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.51 1u45 s VAL 319 N -0.10 1.52 -0.47 1.68 1.01 -0.15 -4.46 120.40 119.43 1u45 s VAL 319 Ca -0.04 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1u45 s VAL 319 Cb -0.13 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.87 1u45 s VAL 319 CO 0.03 0.33 0.21 -0.69 0.00 0.00 0.00 175.10 174.98 1u45 s VAL 320 N 1.49 2.54 -0.11 2.92 1.01 -1.26 -1.21 120.40 125.78 1u45 s VAL 320 Ca 0.03 -3.04 -0.30 0.00 0.00 0.00 0.00 61.98 58.68 1u45 s VAL 320 Cb -0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1u45 s VAL 320 CO -0.10 -0.75 1.24 -0.70 0.00 0.00 0.00 175.10 174.80 1u45 s GLU 321 N 0.05 4.29 -0.26 2.72 2.56 -0.72 -4.65 118.70 122.70 1u45 s GLU 321 Ca 0.15 1.67 0.01 0.00 0.00 0.00 0.00 54.97 56.81 1u45 s GLU 321 Cb -0.24 -3.66 0.07 0.00 2.00 0.00 0.00 34.13 32.30 1u45 s GLU 321 CO -0.02 -0.58 -0.03 0.08 -0.56 0.00 0.00 175.26 174.15 1u45 s VAL 322 N 2.85 1.60 0.10 3.70 1.01 -1.26 -0.93 120.40 127.46 1u45 s VAL 322 Ca 0.55 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1u45 s VAL 322 Cb -0.23 -1.92 -0.24 0.00 0.00 0.00 0.00 36.38 33.99 1u45 s VAL 322 CO 0.18 -0.21 1.22 0.58 0.00 0.00 0.00 175.10 176.87 1u45 h VAL 323 N 6.65 1.46 -2.65 2.92 2.07 -1.96 -3.45 116.25 121.29 1u45 h VAL 323 Ca -0.16 -2.79 -0.53 0.00 0.82 0.00 0.00 66.70 64.04 1u45 h VAL 323 Cb 1.06 2.71 0.06 0.00 -1.52 0.00 0.00 31.29 33.60 1u45 h VAL 323 CO 0.43 0.82 0.97 -0.62 0.02 0.00 0.00 177.57 179.19 1u45 n GLU 324 N -3.63 2.67 -0.30 1.57 -0.58 -1.26 -4.87 120.64 114.24 1u45 n GLU 324 Ca -0.08 0.96 0.01 0.00 -0.42 0.00 0.00 57.16 57.63 1u45 n GLU 324 Cb 0.94 -2.79 0.14 0.00 -0.57 0.00 0.00 31.44 29.15 1u45 n GLU 324 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u45 h GLU 325 N 6.44 0.91 -5.16 3.49 5.08 -2.03 -3.31 114.58 120.00 1u45 h GLU 325 Ca -0.44 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.20 1u45 h GLU 325 Cb 1.21 -0.21 -0.17 0.00 0.50 0.00 0.00 28.75 30.09 1u45 h GLU 325 CO 0.93 0.60 0.18 1.21 -1.00 0.00 0.00 179.01 180.94 1u45 s ASN 326 N -5.75 6.24 0.00 1.42 3.84 -1.26 -4.93 114.94 114.51 1u45 s ASN 326 Ca -0.13 -0.82 0.27 0.00 0.21 0.00 0.00 52.86 52.39 1u45 s ASN 326 Cb 0.18 -2.33 1.59 0.00 -0.55 0.00 0.00 41.25 40.15 1u45 s ASN 326 CO 0.79 -1.00 1.95 0.00 -2.79 0.00 0.00 177.10 176.05 1u45 n TYR 327 N 6.52 0.00 -2.02 0.43 0.18 -1.25 -4.69 117.16 116.34 1u45 n TYR 327 Ca -0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.31 1u45 n TYR 327 Cb 0.46 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.39 1u45 n TYR 327 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1u45 s HIS 328 N -2.00 1.99 -1.36 -3.48 3.76 -1.26 -2.31 115.29 110.63 1u45 s HIS 328 Ca 0.40 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 1u45 s HIS 328 Cb 0.18 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.97 1u45 s HIS 328 CO 0.31 -3.79 0.05 -3.47 -0.85 0.00 0.00 174.74 166.99 1u45 n ASP 329 N 7.17 -4.75 -4.93 1.40 4.64 -1.26 -4.95 116.55 113.86 1u45 n ASP 329 Ca 0.17 0.07 -0.25 0.00 -1.38 0.00 0.00 54.79 53.41 1u45 n ASP 329 Cb 0.43 -3.98 -0.01 0.00 -1.04 0.00 0.00 41.12 36.51 1u45 n ASP 329 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u45 s ALA 330 N -2.81 3.65 0.46 -1.67 0.00 -0.98 -5.08 121.76 115.33 1u45 s ALA 330 Ca 0.03 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 1u45 s ALA 330 Cb -0.02 -2.18 -0.10 0.00 0.00 0.00 0.00 23.12 20.82 1u45 s ALA 330 CO 0.04 -0.05 0.95 -1.25 0.00 0.00 0.00 175.76 175.45 1u45 s PRO 331 N -4.32 4.10 -0.37 0.00 0.04 -1.26 -4.95 135.00 128.24 1u45 s PRO 331 Ca 0.41 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1u45 s PRO 331 Cb -0.10 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1u45 s PRO 331 CO 0.37 -0.11 0.24 0.42 0.04 0.00 0.00 177.00 177.96 1u45 s ILE 332 N -2.34 5.09 -0.63 0.56 1.01 -1.26 -4.40 121.20 119.23 1u45 s ILE 332 Ca 0.60 -0.49 0.25 0.00 0.00 0.00 0.00 60.65 61.01 1u45 s ILE 332 Cb -0.09 -3.72 0.27 0.00 0.01 0.00 0.00 42.46 38.93 1u45 s ILE 332 CO 0.21 -0.14 1.67 -0.37 0.00 0.00 0.00 174.94 176.31 1u45 h VAL 333 N 5.62 0.00 -1.02 2.92 -1.51 -1.43 -3.43 116.25 117.39 1u45 h VAL 333 Ca -0.29 -0.64 0.35 0.00 -1.23 0.00 0.00 66.70 64.89 1u45 h VAL 333 Cb 1.14 1.59 -0.19 0.00 -2.13 0.00 0.00 31.29 31.70 1u45 h VAL 333 CO 0.67 0.00 0.99 -0.83 -1.23 0.00 0.00 177.57 177.17 1u45 s GLY 334 N -3.79 -0.29 0.01 5.19 0.00 -1.26 -4.67 107.32 102.52 1u45 s GLY 334 Ca 0.09 1.62 0.03 0.00 0.00 0.00 0.00 44.72 46.46 1u45 s GLY 334 CO 0.63 0.49 -0.08 -0.42 0.00 0.00 0.00 173.10 173.72 1u45 s ILE 335 N -2.02 0.65 -0.00 0.90 1.01 -0.55 -1.75 121.20 119.45 1u45 s ILE 335 Ca 0.13 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1u45 s ILE 335 Cb 0.02 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1u45 s ILE 335 CO -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 174.94 174.90 1u45 s ALA 336 N -0.51 0.26 -0.05 9.38 0.00 -0.35 -0.26 121.76 130.24 1u45 s ALA 336 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1u45 s ALA 336 Cb -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1u45 s ALA 336 CO 0.00 0.06 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1u45 s VAL 337 N -0.08 0.65 -0.09 0.00 1.01 -0.10 -0.98 120.40 120.80 1u45 s VAL 337 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1u45 s VAL 337 Cb -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1u45 s VAL 337 CO -0.00 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.53 1u45 s VAL 338 N 0.80 1.28 0.00 2.92 1.01 -0.64 -0.10 120.40 125.67 1u45 s VAL 338 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1u45 s VAL 338 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1u45 s VAL 338 CO 0.01 0.40 0.01 -0.46 0.00 0.00 0.00 175.10 175.05 1u45 n ASN 339 N 4.21 -0.01 0.27 3.32 0.23 -0.49 -0.66 115.26 122.13 1u45 n ASN 339 Ca -0.19 -1.02 0.18 0.00 -0.53 0.00 0.00 54.58 53.01 1u45 n ASN 339 Cb 0.51 0.03 0.94 0.00 -2.08 0.00 0.00 39.78 39.18 1u45 n ASN 339 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1u45 h GLU 340 N 0.00 0.00 0.00 -3.83 4.11 -1.93 -2.10 114.58 110.83 1u45 h GLU 340 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u45 h GLU 340 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1u45 h GLU 340 CO 0.00 0.00 -0.61 0.72 0.07 0.00 0.00 179.01 179.19 1u45 n HIS 341 N -3.58 0.14 -0.71 2.06 8.25 -1.26 -5.07 115.22 115.04 1u45 n HIS 341 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1u45 n HIS 341 Cb 0.20 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1u45 n HIS 341 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u45 n GLY 342 N 1.45 0.66 3.29 -1.41 0.00 -0.79 -5.09 105.19 103.30 1u45 n GLY 342 Ca 0.05 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1u45 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u45 s ARG 343 N -2.00 3.16 0.05 1.61 0.52 -1.26 -1.40 118.95 119.63 1u45 s ARG 343 Ca 0.00 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 1u45 s ARG 343 Cb 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1u45 s ARG 343 CO 0.00 0.22 -0.11 -0.06 0.02 0.00 0.00 175.30 175.37 1u45 s PHE 344 N 0.29 0.94 -0.07 -0.53 0.40 0.85 -0.67 117.98 119.20 1u45 s PHE 344 Ca -0.14 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 55.79 1u45 s PHE 344 Cb -0.17 -0.55 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1u45 s PHE 344 CO 0.07 -0.01 -0.20 0.12 0.70 0.00 0.00 175.22 175.91 1u45 s PHE 345 N -1.20 2.08 -0.03 0.36 5.36 0.06 -0.93 117.98 123.68 1u45 s PHE 345 Ca -0.05 -0.75 0.04 0.00 -0.96 0.00 0.00 56.93 55.22 1u45 s PHE 345 Cb -0.09 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.17 1u45 s PHE 345 CO 0.01 -0.30 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.81 1u45 s LEU 346 N 0.28 1.94 0.16 6.12 1.43 0.64 -1.87 118.68 127.37 1u45 s LEU 346 Ca -0.12 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1u45 s LEU 346 Cb -0.15 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.13 1u45 s LEU 346 CO 0.05 0.16 1.17 -0.13 0.23 0.00 0.00 176.35 177.83 1u45 s ARG 347 N -0.09 4.51 0.26 1.70 0.52 -1.26 -1.48 118.95 123.10 1u45 s ARG 347 Ca 0.00 1.81 -0.02 0.00 -0.52 0.00 0.00 55.73 57.00 1u45 s ARG 347 Cb -0.09 -3.27 0.49 0.00 0.52 0.00 0.00 34.95 32.60 1u45 s ARG 347 CO 0.01 -0.08 1.77 -1.00 0.02 0.00 0.00 175.30 176.01 1u45 h PRO 348 N 5.52 0.60 -0.71 3.54 0.13 -1.84 -1.72 132.00 137.53 1u45 h PRO 348 Ca -0.44 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1u45 h PRO 348 Cb 1.21 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1u45 h PRO 348 CO 0.75 0.40 0.47 0.93 -0.23 0.00 0.00 178.00 180.32 1u45 h GLU 349 N 0.62 0.56 0.02 0.86 3.07 -1.92 -0.31 114.58 117.49 1u45 h GLU 349 Ca 0.44 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.24 1u45 h GLU 349 Cb 0.60 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1u45 h GLU 349 CO -0.35 0.37 -0.14 1.15 -1.40 0.00 0.00 179.01 178.65 1u45 h THR 350 N 0.58 1.74 0.23 1.13 2.02 -1.74 -3.26 112.91 113.61 1u45 h THR 350 Ca 0.33 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 1u45 h THR 350 Cb 0.50 3.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 1u45 h THR 350 CO -0.11 0.62 -0.11 0.00 0.37 0.00 0.00 175.52 176.29 1u45 h ALA 351 N 0.03 -0.30 0.00 6.16 0.00 -1.14 -2.83 119.26 121.18 1u45 h ALA 351 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u45 h ALA 351 Cb 1.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1u45 h ALA 351 CO 0.03 -0.57 0.00 1.28 0.00 0.00 0.00 179.25 179.98 1u45 n LEU 352 N -5.14 0.00 -0.28 0.00 7.99 -0.15 -1.73 117.00 117.70 1u45 n LEU 352 Ca -0.09 0.24 0.07 0.00 -0.01 0.00 0.00 56.01 56.23 1u45 n LEU 352 Cb 0.21 -0.24 -0.02 0.00 -0.11 0.00 0.00 43.42 43.25 1u45 n LEU 352 CO 0.33 -0.13 0.20 0.00 -1.51 0.00 0.00 177.39 176.28 1u45 n ALA 353 N -1.24 3.29 -2.59 -1.18 0.00 -1.15 -4.91 120.51 112.73 1u45 n ALA 353 Ca 0.07 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1u45 n ALA 353 Cb 0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1u45 n ALA 353 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u45 s ASP 354 N -1.95 6.54 0.30 0.00 2.15 -0.70 -4.95 116.67 118.06 1u45 s ASP 354 Ca 0.11 0.35 0.05 0.00 0.43 0.00 0.00 52.55 53.49 1u45 s ASP 354 Cb 0.12 -2.39 0.69 0.00 -0.30 0.00 0.00 42.92 41.05 1u45 s ASP 354 CO 0.43 -0.70 1.80 -0.65 -0.17 0.00 0.00 175.17 175.88 1u45 h PRO 355 N 8.45 0.81 -0.34 4.34 0.11 -1.91 -1.12 132.00 142.33 1u45 h PRO 355 Ca -0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1u45 h PRO 355 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1u45 h PRO 355 CO 0.90 0.53 0.12 1.96 -0.21 0.00 0.00 178.00 181.30 1u45 h GLN 356 N 0.83 0.53 -0.41 1.05 7.50 -1.93 -0.65 115.11 122.02 1u45 h GLN 356 Ca 0.55 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.54 1u45 h GLN 356 Cb 0.78 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.21 1u45 h GLN 356 CO -0.34 0.54 0.04 0.35 -1.50 0.00 0.00 178.83 177.93 1u45 h PHE 357 N 0.40 0.74 -0.74 2.96 3.57 -1.61 -0.95 116.94 121.31 1u45 h PHE 357 Ca 0.11 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1u45 h PHE 357 Cb 0.23 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1u45 h PHE 357 CO 0.00 0.73 0.37 0.28 -2.23 0.00 0.00 178.31 177.47 1u45 h VAL 358 N 0.53 1.24 -0.83 1.41 2.07 -1.16 0.19 116.25 119.69 1u45 h VAL 358 Ca 0.12 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1u45 h VAL 358 Cb 0.41 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1u45 h VAL 358 CO 0.01 0.27 0.39 0.00 0.02 0.00 0.00 177.57 178.26 1u45 h ALA 359 N 1.19 1.08 -0.51 1.67 0.00 -0.93 -1.65 119.26 120.11 1u45 h ALA 359 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u45 h ALA 359 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1u45 h ALA 359 CO -0.03 0.65 0.26 2.35 0.00 0.00 0.00 179.25 182.48 1u45 h TRP 360 N 1.19 0.71 -0.91 0.00 7.01 -0.40 -0.54 115.95 123.01 1u45 h TRP 360 Ca 0.28 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.28 1u45 h TRP 360 Cb 0.14 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.93 1u45 h TRP 360 CO 0.02 0.55 0.60 -0.07 -2.79 0.00 0.00 178.44 176.74 1u45 h LEU 361 N 0.67 1.01 -0.23 0.65 3.38 -0.56 -2.70 115.31 117.54 1u45 h LEU 361 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u45 h LEU 361 Cb 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1u45 h LEU 361 CO -0.02 0.72 -0.14 0.61 0.09 0.00 0.00 178.44 179.70 1u45 n GLY 362 N -1.35 -0.96 3.59 0.83 0.00 -0.66 -0.96 105.19 105.67 1u45 n GLY 362 Ca 0.11 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1u45 n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u45 s ASP 363 N -2.53 6.59 0.49 1.61 -1.08 -0.25 -4.53 116.67 116.97 1u45 s ASP 363 Ca 0.27 0.36 0.33 0.00 -0.52 0.00 0.00 52.55 52.99 1u45 s ASP 363 Cb 0.20 -2.51 1.71 0.00 -1.46 0.00 0.00 42.92 40.86 1u45 s ASP 363 CO 0.49 -1.14 2.02 -0.08 0.52 0.00 0.00 175.17 176.98 1u45 h GLU 364 N 9.08 0.00 -0.00 4.34 4.22 -1.87 -1.68 114.58 128.67 1u45 h GLU 364 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1u45 h GLU 364 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u45 h GLU 364 CO 1.08 0.00 -0.31 0.25 -2.18 0.00 0.00 179.01 177.85 1u45 n THR 365 N -2.73 0.00 -3.31 0.32 -2.24 -1.26 -4.26 114.28 100.80 1u45 n THR 365 Ca -0.01 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.31 1u45 n THR 365 Cb 0.11 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 1u45 n THR 365 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u45 s LYS 366 N -2.94 3.03 0.08 -0.78 -0.14 -0.63 -4.91 119.74 113.44 1u45 s LYS 366 Ca 0.14 -1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 53.25 1u45 s LYS 366 Cb 0.18 -4.12 -0.05 0.00 -1.68 0.00 0.00 37.83 32.16 1u45 s LYS 366 CO 0.62 -1.10 1.00 0.15 -0.76 0.00 0.00 175.35 175.26 1u45 s LYS 367 N 1.97 4.62 0.01 1.68 -0.14 -0.36 -4.54 119.74 122.99 1u45 s LYS 367 Ca 0.08 1.49 0.08 0.00 -1.36 0.00 0.00 55.97 56.25 1u45 s LYS 367 Cb -0.23 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.51 1u45 s LYS 367 CO 0.08 0.08 -0.24 0.15 -0.76 0.00 0.00 175.35 174.67 1u45 s LYS 368 N 0.39 1.80 -0.14 1.68 3.01 -0.11 -1.72 119.74 124.65 1u45 s LYS 368 Ca 0.50 -0.91 -0.02 0.00 -1.01 0.00 0.00 55.97 54.53 1u45 s LYS 368 Cb -0.23 -1.82 -0.02 0.00 -1.01 0.00 0.00 37.83 34.75 1u45 s LYS 368 CO 0.30 0.49 -0.09 -1.12 0.51 0.00 0.00 175.35 175.43 1u45 s SER 369 N -0.80 4.35 0.29 2.83 0.01 0.10 -1.23 113.70 119.26 1u45 s SER 369 Ca 0.09 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1u45 s SER 369 Cb -0.09 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 1u45 s SER 369 CO 0.00 0.17 0.30 0.23 0.41 0.00 0.00 173.24 174.35 1u45 n MET 370 N 3.51 0.43 -3.95 12.44 2.81 0.26 -0.42 117.12 132.21 1u45 n MET 370 Ca -0.18 -2.74 -0.29 0.00 -1.81 0.00 0.00 57.70 52.69 1u45 n MET 370 Cb 0.53 2.35 -0.17 0.00 -0.71 0.00 0.00 33.22 35.23 1u45 n MET 370 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1u45 s PHE 371 N -3.17 1.86 -0.92 2.03 5.36 -1.26 0.13 117.98 122.00 1u45 s PHE 371 Ca 0.32 -1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.18 1u45 s PHE 371 Cb 0.01 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.24 1u45 s PHE 371 CO 0.22 -0.61 0.83 -3.47 -1.46 0.00 0.00 175.22 170.73 1u45 n ASP 372 N 4.84 -7.12 0.24 6.13 -0.08 -1.26 -4.90 116.55 114.40 1u45 n ASP 372 Ca -0.14 -0.45 0.10 0.00 -1.51 0.00 0.00 54.79 52.79 1u45 n ASP 372 Cb 0.49 -5.25 0.59 0.00 2.34 0.00 0.00 41.12 39.29 1u45 n ASP 372 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1u45 h SER 373 N -0.45 0.00 -0.65 1.67 4.64 -1.95 -2.91 113.55 113.90 1u45 h SER 373 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1u45 h SER 373 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1u45 h SER 373 CO 0.38 0.19 0.41 0.50 -0.87 0.00 0.00 176.83 177.45 1u45 h LYS 374 N 0.00 0.88 -0.37 4.77 3.64 -1.90 0.27 116.57 123.85 1u45 h LYS 374 Ca -0.00 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1u45 h LYS 374 Cb 0.50 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1u45 h LYS 374 CO 0.03 0.61 0.08 -0.09 -2.27 0.00 0.00 179.45 177.80 1u45 h ARG 375 N 0.89 0.20 -0.24 1.90 2.43 -1.88 0.88 114.38 118.56 1u45 h ARG 375 Ca 0.24 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1u45 h ARG 375 Cb -0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1u45 h ARG 375 CO -0.05 0.13 -0.08 0.00 -1.51 0.00 0.00 179.97 178.46 1u45 h ALA 376 N 1.27 0.33 -0.67 2.80 0.00 -1.51 -1.79 119.26 119.69 1u45 h ALA 376 Ca 0.17 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1u45 h ALA 376 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1u45 h ALA 376 CO -0.22 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.58 1u45 h ALA 377 N 0.74 0.88 -0.20 0.00 0.00 -0.08 -0.09 119.26 120.50 1u45 h ALA 377 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1u45 h ALA 377 Cb 0.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u45 h ALA 377 CO 0.03 0.14 -0.34 0.28 0.00 0.00 0.00 179.25 179.35 1u45 h VAL 378 N 0.77 1.33 -0.94 0.00 2.07 -0.82 -0.49 116.25 118.17 1u45 h VAL 378 Ca 0.28 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1u45 h VAL 378 Cb 0.07 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1u45 h VAL 378 CO -0.13 0.48 0.61 0.00 0.02 0.00 0.00 177.57 178.56 1u45 h ALA 379 N 0.61 1.46 -0.21 1.67 0.00 -1.06 -1.09 119.26 120.64 1u45 h ALA 379 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1u45 h ALA 379 Cb 0.93 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u45 h ALA 379 CO 0.08 0.40 -0.51 -0.07 0.00 0.00 0.00 179.25 179.15 1u45 h LEU 380 N 1.10 0.63 -0.76 0.00 3.38 -0.88 -3.06 115.31 115.73 1u45 h LEU 380 Ca 0.40 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1u45 h LEU 380 Cb 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1u45 h LEU 380 CO -0.15 1.03 0.47 0.11 0.09 0.00 0.00 178.44 179.99 1u45 h LYS 381 N 0.45 0.87 0.00 1.13 1.57 0.15 0.87 116.57 121.62 1u45 h LYS 381 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u45 h LYS 381 Cb 1.04 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1u45 h LYS 381 CO 0.10 0.57 0.00 -1.49 -0.57 0.00 0.00 179.45 178.06 1u45 h TRP 382 N 0.89 0.00 -0.22 -1.35 4.06 -1.26 0.06 115.95 118.13 1u45 h TRP 382 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1u45 h TRP 382 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1u45 h TRP 382 CO -0.04 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.47 1u45 n LYS 383 N -2.92 2.33 -1.90 0.49 5.02 0.14 -4.95 118.16 116.37 1u45 n LYS 383 Ca -0.01 -1.99 -0.07 0.00 -2.02 0.00 0.00 58.31 54.23 1u45 n LYS 383 Cb 0.16 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1u45 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u45 n GLY 384 N 1.40 0.29 3.23 0.72 0.00 0.01 -5.03 105.19 105.81 1u45 n GLY 384 Ca 0.17 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1u45 n GLY 384 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u45 s ILE 385 N -2.31 2.14 -0.10 -0.61 1.01 -0.24 -5.00 121.20 116.09 1u45 s ILE 385 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 1u45 s ILE 385 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1u45 s ILE 385 CO 0.00 0.56 0.43 -0.70 0.00 0.00 0.00 174.94 175.23 1u45 s GLU 386 N 0.39 4.25 -0.22 2.79 2.12 -1.26 -3.38 118.70 123.39 1u45 s GLU 386 Ca -0.17 0.38 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 1u45 s GLU 386 Cb -0.18 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1u45 s GLU 386 CO 0.08 0.27 0.04 -1.17 -0.54 0.00 0.00 175.26 173.94 1u45 s LEU 387 N 0.27 3.44 0.29 2.70 2.96 -1.26 -2.95 118.68 124.13 1u45 s LEU 387 Ca 0.24 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1u45 s LEU 387 Cb -0.15 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1u45 s LEU 387 CO 0.10 0.05 0.09 0.00 -1.32 0.00 0.00 176.35 175.27 1u45 n GLY 389 N -0.57 0.65 3.59 0.00 0.00 -1.26 -4.67 105.19 102.93 1u45 n GLY 389 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1u45 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u45 s VAL 390 N -2.04 3.78 -0.75 1.61 1.01 -1.26 -0.93 120.40 121.82 1u45 s VAL 390 Ca 0.00 0.72 0.22 0.00 0.00 0.00 0.00 61.98 62.93 1u45 s VAL 390 Cb 0.00 -4.25 -0.17 0.00 0.00 0.00 0.00 36.38 31.96 1u45 s VAL 390 CO 0.00 -0.93 0.97 -1.54 0.00 0.00 0.00 175.10 173.60 1u45 n SER 391 N 9.55 0.68 -3.68 3.32 3.41 -0.36 -4.91 113.62 121.62 1u45 n SER 391 Ca 0.15 -0.49 -0.10 0.00 -0.26 0.00 0.00 58.87 58.17 1u45 n SER 391 Cb 0.49 0.93 -0.10 0.00 -0.26 0.00 0.00 64.21 65.27 1u45 n SER 391 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1u45 s PHE 392 N -3.13 -0.70 -0.26 7.33 5.36 -1.20 -4.99 117.98 120.39 1u45 s PHE 392 Ca 0.05 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1u45 s PHE 392 Cb 0.15 0.32 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 1u45 s PHE 392 CO 0.83 -0.39 -0.08 0.34 -1.46 0.00 0.00 175.22 174.46 1u45 s ASP 393 N 1.65 4.36 0.37 6.13 -1.08 -1.26 -0.57 116.67 126.27 1u45 s ASP 393 Ca -0.08 -1.44 0.06 0.00 -0.52 0.00 0.00 52.55 50.57 1u45 s ASP 393 Cb -0.09 -1.47 0.77 0.00 -1.46 0.00 0.00 42.92 40.67 1u45 s ASP 393 CO -0.14 -0.22 1.98 0.25 0.52 0.00 0.00 175.17 177.55 1u45 h LEU 394 N 7.79 0.62 -0.22 -1.34 5.85 -0.69 -0.97 115.31 126.35 1u45 h LEU 394 Ca -0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1u45 h LEU 394 Cb 1.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1u45 h LEU 394 CO 0.46 0.41 0.11 0.25 -0.34 0.00 0.00 178.44 179.32 1u45 h LEU 395 N 0.71 0.29 -0.74 2.25 5.85 -1.91 -0.04 115.31 121.73 1u45 h LEU 395 Ca 0.28 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1u45 h LEU 395 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1u45 h LEU 395 CO -0.09 0.34 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.93 1u45 h LEU 396 N 0.23 0.59 -0.20 2.25 3.38 -1.85 -0.73 115.31 118.99 1u45 h LEU 396 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1u45 h LEU 396 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1u45 h LEU 396 CO -0.01 0.89 0.08 0.00 0.09 0.00 0.00 178.44 179.49 1u45 h ALA 397 N 1.14 0.26 -0.52 1.53 0.00 -0.97 -1.46 119.26 119.24 1u45 h ALA 397 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u45 h ALA 397 Cb 0.83 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1u45 h ALA 397 CO 0.07 -0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.39 1u45 h ALA 398 N 0.92 0.67 -0.66 0.00 0.00 -0.89 -1.88 119.26 117.42 1u45 h ALA 398 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u45 h ALA 398 Cb 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1u45 h ALA 398 CO -0.00 0.28 0.37 -0.92 0.00 0.00 0.00 179.25 178.97 1u45 h TYR 399 N 0.70 0.68 -0.36 0.00 3.20 -0.95 -1.36 116.97 118.87 1u45 h TYR 399 Ca 0.17 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 1u45 h TYR 399 Cb 0.18 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1u45 h TYR 399 CO 0.00 0.33 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.50 1u45 h LEU 400 N 0.69 0.79 -0.91 2.82 3.38 -1.05 -1.75 115.31 119.29 1u45 h LEU 400 Ca 0.29 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1u45 h LEU 400 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1u45 h LEU 400 CO -0.17 1.03 0.00 -0.07 0.09 0.00 0.00 178.44 179.32 1u45 h LEU 401 N 0.66 0.77 -5.75 1.67 3.38 -0.79 -3.41 115.31 111.83 1u45 h LEU 401 Ca 0.08 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1u45 h LEU 401 Cb 0.81 -0.20 -0.19 0.00 0.09 0.00 0.00 40.66 41.16 1u45 h LEU 401 CO 0.07 0.84 -0.25 -0.62 0.09 0.00 0.00 178.44 178.57 1u45 s ASP 402 N -6.64 -0.96 0.63 -0.43 2.15 -0.56 -5.00 116.67 105.85 1u45 s ASP 402 Ca -0.10 -0.26 0.40 0.00 0.43 0.00 0.00 52.55 53.03 1u45 s ASP 402 Cb 0.15 1.36 2.11 0.00 -0.30 0.00 0.00 42.92 46.24 1u45 s ASP 402 CO 0.81 -0.13 2.27 1.55 -0.17 0.00 0.00 175.17 179.50 1u45 h PRO 403 N 6.74 0.00 0.00 4.34 0.13 -1.53 -2.38 132.00 139.29 1u45 h PRO 403 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1u45 h PRO 403 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u45 h PRO 403 CO 0.02 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 177.80 1u45 h ALA 404 N 1.99 1.00 0.00 -0.56 0.00 -1.93 -3.13 119.26 116.63 1u45 h ALA 404 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u45 h ALA 404 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u45 h ALA 404 CO 0.00 0.00 -0.10 1.96 0.00 0.00 0.00 179.25 181.11 1u45 h GLN 405 N 0.00 0.00 -1.83 0.00 1.08 -1.81 -3.46 115.11 109.09 1u45 h GLN 405 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 1u45 h GLN 405 Cb 0.68 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1u45 h GLN 405 CO 0.00 0.10 -0.33 0.41 -0.95 0.00 0.00 178.83 178.06 1u45 n GLY 406 N -0.63 -0.15 3.64 3.46 0.00 -1.18 -4.92 105.19 105.41 1u45 n GLY 406 Ca -0.02 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1u45 n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u45 n VAL 407 N -4.01 0.62 -1.03 1.61 0.31 -1.26 -4.83 118.33 109.73 1u45 n VAL 407 Ca -0.15 -0.21 0.02 0.00 -0.01 0.00 0.00 64.34 63.99 1u45 n VAL 407 Cb 0.61 -2.25 0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1u45 n VAL 407 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u45 n ASP 408 N 8.36 0.97 -3.45 4.52 5.68 -1.26 -4.94 116.55 126.43 1u45 n ASP 408 Ca 0.24 -1.93 -0.12 0.00 -0.50 0.00 0.00 54.79 52.48 1u45 n ASP 408 Cb 0.38 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1u45 n ASP 408 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1u45 s ASP 409 N -1.09 -0.54 0.25 -1.12 3.84 -1.26 -5.03 116.67 111.72 1u45 s ASP 409 Ca 0.07 -0.05 -0.03 0.00 -0.00 0.00 0.00 52.55 52.54 1u45 s ASP 409 Cb 0.06 0.60 0.49 0.00 -1.38 0.00 0.00 42.92 42.69 1u45 s ASP 409 CO 0.01 -0.99 1.75 0.58 -0.00 0.00 0.00 175.17 176.52 1u45 h VAL 410 N 2.01 0.72 -0.68 2.11 2.07 -1.97 -2.28 116.25 118.23 1u45 h VAL 410 Ca -0.33 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1u45 h VAL 410 Cb 1.30 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1u45 h VAL 410 CO 0.37 0.10 0.44 0.00 0.02 0.00 0.00 177.57 178.51 1u45 h ALA 411 N 1.54 0.88 -0.78 1.67 0.00 -1.87 -0.02 119.26 120.67 1u45 h ALA 411 Ca 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1u45 h ALA 411 Cb 0.61 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1u45 h ALA 411 CO -0.36 0.24 0.37 0.00 0.00 0.00 0.00 179.25 179.49 1u45 h ALA 412 N 1.27 1.01 -0.34 0.00 0.00 -1.81 -0.73 119.26 118.66 1u45 h ALA 412 Ca 0.26 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1u45 h ALA 412 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1u45 h ALA 412 CO -0.08 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.67 1u45 h ALA 413 N 1.19 0.47 -0.49 0.00 0.00 -1.11 -3.05 119.26 116.26 1u45 h ALA 413 Ca 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1u45 h ALA 413 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u45 h ALA 413 CO -0.03 0.31 0.14 0.00 0.00 0.00 0.00 179.25 179.67 1u45 h ALA 414 N 0.81 1.33 0.00 0.00 0.00 -0.76 -2.08 119.26 118.55 1u45 h ALA 414 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u45 h ALA 414 Cb 0.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u45 h ALA 414 CO 0.03 0.48 -0.00 -0.22 0.00 0.00 0.00 179.25 179.55 1u45 h LYS 415 N 0.71 0.00 -0.06 0.00 3.64 -1.02 -0.22 116.57 119.62 1u45 h LYS 415 Ca 0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1u45 h LYS 415 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1u45 h LYS 415 CO -0.01 0.00 -0.22 0.52 -2.27 0.00 0.00 179.45 177.48 1u45 h MET 416 N 0.00 0.10 -0.46 1.90 2.86 -1.40 -2.59 114.93 115.36 1u45 h MET 416 Ca -0.00 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 1u45 h MET 416 Cb 0.01 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 1u45 h MET 416 CO 0.00 0.32 0.08 1.63 1.06 0.00 0.00 176.91 180.01 1u45 n LYS 417 N -4.24 2.67 -2.73 1.72 4.76 -0.18 -4.95 118.16 115.22 1u45 n LYS 417 Ca -0.02 -3.03 -0.21 0.00 -2.87 0.00 0.00 58.31 52.18 1u45 n LYS 417 Cb 0.30 -1.95 0.01 0.00 -1.84 0.00 0.00 35.03 31.56 1u45 n LYS 417 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1u45 n GLN 418 N -0.70 -3.32 -3.94 1.97 1.13 -0.97 -4.98 117.38 106.57 1u45 n GLN 418 Ca 0.33 0.93 -0.35 0.00 -1.94 0.00 0.00 57.00 55.97 1u45 n GLN 418 Cb 1.12 -5.70 -0.12 0.00 0.11 0.00 0.00 30.24 25.64 1u45 n GLN 418 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1u45 s TYR 419 N -3.09 3.06 -0.06 1.08 5.04 -0.68 -4.98 117.35 117.73 1u45 s TYR 419 Ca 0.16 -0.44 0.11 0.00 -2.44 0.00 0.00 57.07 54.46 1u45 s TYR 419 Cb -0.07 -2.14 0.20 0.00 0.35 0.00 0.00 41.96 40.29 1u45 s TYR 419 CO 0.20 -0.28 1.09 0.39 -1.34 0.00 0.00 175.55 175.61 1u45 n GLU 420 N 4.49 0.50 -0.79 4.97 1.02 -1.26 -2.97 120.64 126.58 1u45 n GLU 420 Ca -0.17 -1.83 -0.13 0.00 -0.02 0.00 0.00 57.16 55.02 1u45 n GLU 420 Cb 0.52 -0.79 0.03 0.00 -0.02 0.00 0.00 31.44 31.18 1u45 n GLU 420 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u45 n ALA 421 N -0.40 4.83 -3.51 0.62 0.00 -1.26 -4.77 120.51 116.01 1u45 n ALA 421 Ca 0.07 -1.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.12 1u45 n ALA 421 Cb 0.76 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 1u45 n ALA 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u45 s VAL 422 N -1.73 0.00 0.27 0.00 0.11 -1.26 -4.89 120.40 112.90 1u45 s VAL 422 Ca 0.23 -0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.18 1u45 s VAL 422 Cb 0.18 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1u45 s VAL 422 CO -0.00 -0.02 0.57 -0.13 -3.33 0.00 0.00 175.10 172.19 1u45 s ARG 423 N -0.02 3.73 0.52 1.54 0.52 -1.26 -4.81 118.95 119.17 1u45 s ARG 423 Ca -0.03 0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 55.16 1u45 s ARG 423 Cb -0.04 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.75 1u45 s ARG 423 CO 0.03 0.25 1.20 -2.14 0.02 0.00 0.00 175.30 174.65 1u45 s PRO 424 N -3.19 3.41 0.27 3.54 0.02 -1.26 -4.54 135.00 133.26 1u45 s PRO 424 Ca 0.46 1.83 -0.03 0.00 0.02 0.00 0.00 61.00 63.28 1u45 s PRO 424 Cb -0.11 -2.20 0.38 0.00 0.02 0.00 0.00 34.50 32.59 1u45 s PRO 424 CO 0.26 -0.85 1.93 -0.44 -0.33 0.00 0.00 177.00 177.56 1u45 h ASP 425 N 1.54 1.05 -0.90 2.53 3.32 -1.97 -2.21 116.42 119.78 1u45 h ASP 425 Ca -0.50 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.56 1u45 h ASP 425 Cb 1.27 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1u45 h ASP 425 CO 0.58 0.73 0.59 -0.08 -1.72 0.00 0.00 179.24 179.34 1u45 h GLU 426 N 1.22 1.13 -0.53 3.56 4.81 -1.91 0.24 114.58 123.10 1u45 h GLU 426 Ca 0.37 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1u45 h GLU 426 Cb -0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 1u45 h GLU 426 CO -0.10 0.75 0.14 0.00 -0.73 0.00 0.00 179.01 179.07 1u45 h ALA 427 N 1.46 1.25 0.11 2.92 0.00 -1.72 0.70 119.26 123.98 1u45 h ALA 427 Ca 0.35 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1u45 h ALA 427 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u45 h ALA 427 CO -0.09 0.52 -0.95 0.28 0.00 0.00 0.00 179.25 179.01 1u45 h VAL 428 N 0.78 1.35 0.00 0.00 2.07 -1.16 -3.38 116.25 115.91 1u45 h VAL 428 Ca 0.17 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1u45 h VAL 428 Cb 0.26 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1u45 h VAL 428 CO -0.00 0.68 -1.02 -1.22 0.02 0.00 0.00 177.57 176.03 1u45 n TYR 429 N -4.13 0.27 -3.05 1.57 4.02 0.76 -4.67 117.16 111.94 1u45 n TYR 429 Ca -0.18 0.08 0.01 0.00 -0.01 0.00 0.00 57.90 57.80 1u45 n TYR 429 Cb 0.80 -0.44 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1u45 n TYR 429 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u45 n GLY 430 N 1.37 -1.95 3.06 2.72 0.00 0.24 -1.63 105.19 109.01 1u45 n GLY 430 Ca 0.02 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1u45 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u45 s LYS 431 N -0.38 0.50 5.56 1.61 -2.85 -1.26 -4.66 119.74 118.25 1u45 s LYS 431 Ca 0.00 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1u45 s LYS 431 Cb 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1u45 s LYS 431 CO 0.00 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1u45 n GLY 432 N 0.89 2.17 0.27 0.59 0.00 -1.26 -2.86 105.19 104.99 1u45 n GLY 432 Ca -0.19 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.39 1u45 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u45 h ALA 433 N -0.67 1.95 -0.00 4.61 0.00 -2.01 -0.78 119.26 122.36 1u45 h ALA 433 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u45 h ALA 433 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u45 h ALA 433 CO 0.00 -0.02 -0.01 1.63 0.00 0.00 0.00 179.25 180.85 1u45 n LYS 434 N -4.44 0.88 -1.68 0.00 5.02 -1.14 -4.88 118.16 111.93 1u45 n LYS 434 Ca -0.03 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 1u45 n LYS 434 Cb 0.10 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1u45 n LYS 434 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1u45 n ARG 435 N -0.99 1.66 0.00 1.97 3.00 -0.30 -4.55 116.66 117.44 1u45 n ARG 435 Ca 0.21 0.60 0.00 0.00 -0.00 0.00 0.00 57.85 58.66 1u45 n ARG 435 Cb 0.17 -2.33 0.00 0.00 0.00 0.00 0.00 32.46 30.29 1u45 n ARG 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1u45 n ALA 436 N -0.61 0.00 -2.68 5.13 0.00 -0.64 -4.99 120.51 116.72 1u45 n ALA 436 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1u45 n ALA 436 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1u45 n ALA 436 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u45 s VAL 437 N -1.74 4.85 1.13 0.00 1.01 -1.26 -4.50 120.40 119.89 1u45 s VAL 437 Ca 0.00 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1u45 s VAL 437 Cb 0.00 -4.22 0.25 0.00 0.00 0.00 0.00 36.38 32.42 1u45 s VAL 437 CO 0.00 0.05 1.06 -2.84 0.00 0.00 0.00 175.10 173.37 1u45 s PRO 438 N 1.89 -0.60 0.85 2.72 0.02 -1.26 -4.99 135.00 133.61 1u45 s PRO 438 Ca 0.43 0.44 -0.10 0.00 0.02 0.00 0.00 61.00 61.79 1u45 s PRO 438 Cb -0.18 -1.62 0.10 0.00 0.02 0.00 0.00 34.50 32.82 1u45 s PRO 438 CO 0.16 -3.41 1.13 -0.51 -0.33 0.00 0.00 177.00 174.04 1u45 s ASP 439 N -3.25 3.63 0.22 2.53 1.01 -1.26 -4.55 116.67 115.01 1u45 s ASP 439 Ca 0.68 2.04 -0.11 0.00 0.71 0.00 0.00 52.55 55.87 1u45 s ASP 439 Cb -0.18 -2.55 0.32 0.00 1.01 0.00 0.00 42.92 41.52 1u45 s ASP 439 CO 0.59 -2.63 1.64 -0.08 0.21 0.00 0.00 175.17 174.91 1u45 h GLU 440 N -1.50 0.06 -0.36 8.23 4.81 -1.98 -0.62 114.58 123.22 1u45 h GLU 440 Ca -0.43 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1u45 h GLU 440 Cb 1.25 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 1u45 h GLU 440 CO 0.46 0.04 -0.18 -1.35 -0.73 0.00 0.00 179.01 177.25 1u45 h PRO 441 N 0.06 -0.12 -0.22 0.92 0.11 -1.99 0.37 132.00 131.13 1u45 h PRO 441 Ca 0.35 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.43 1u45 h PRO 441 Cb 0.57 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1u45 h PRO 441 CO -0.63 -0.08 -0.01 0.28 -0.21 0.00 0.00 178.00 177.35 1u45 h VAL 442 N -0.12 1.26 -0.41 3.15 2.07 -1.76 -2.67 116.25 117.77 1u45 h VAL 442 Ca 0.18 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1u45 h VAL 442 Cb 0.40 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1u45 h VAL 442 CO -0.44 0.28 0.26 0.25 0.02 0.00 0.00 177.57 177.94 1u45 h LEU 443 N 0.15 0.48 -0.61 2.57 5.85 -0.72 -2.45 115.31 120.58 1u45 h LEU 443 Ca 0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1u45 h LEU 443 Cb 0.42 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1u45 h LEU 443 CO 0.01 0.37 0.39 0.00 -0.34 0.00 0.00 178.44 178.87 1u45 h ALA 444 N 1.13 0.78 -0.25 1.25 0.00 -0.26 -1.70 119.26 120.20 1u45 h ALA 444 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1u45 h ALA 444 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u45 h ALA 444 CO -0.03 0.22 -0.35 1.49 0.00 0.00 0.00 179.25 180.58 1u45 h GLU 445 N 0.83 0.55 -0.24 0.00 4.81 -1.38 -2.12 114.58 117.02 1u45 h GLU 445 Ca 0.22 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1u45 h GLU 445 Cb -0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1u45 h GLU 445 CO -0.05 0.83 0.05 1.25 -0.73 0.00 0.00 179.01 180.36 1u45 h HIS 446 N 0.46 0.42 -0.65 0.92 2.76 -1.13 0.32 115.15 118.25 1u45 h HIS 446 Ca 0.05 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1u45 h HIS 446 Cb 0.83 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1u45 h HIS 446 CO 0.03 0.50 0.15 -0.07 -1.30 0.00 0.00 177.93 177.25 1u45 h LEU 447 N 0.21 0.97 -0.36 0.26 3.38 -1.26 -0.55 115.31 117.96 1u45 h LEU 447 Ca 0.07 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1u45 h LEU 447 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u45 h LEU 447 CO 0.00 0.94 -0.00 0.58 0.09 0.00 0.00 178.44 180.05 1u45 h VAL 448 N 0.98 1.26 -0.48 1.22 2.07 -1.26 -0.75 116.25 119.28 1u45 h VAL 448 Ca 0.21 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1u45 h VAL 448 Cb 0.35 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u45 h VAL 448 CO 0.00 0.33 0.19 0.03 0.02 0.00 0.00 177.57 178.14 1u45 h ARG 449 N 0.45 0.69 -0.30 1.57 3.08 -0.64 0.19 114.38 119.42 1u45 h ARG 449 Ca 0.10 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1u45 h ARG 449 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1u45 h ARG 449 CO 0.02 0.57 -0.14 0.87 -1.07 0.00 0.00 179.97 180.22 1u45 h LYS 450 N 0.68 0.62 -0.72 0.04 1.57 -0.83 -1.48 116.57 116.46 1u45 h LYS 450 Ca 0.17 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1u45 h LYS 450 Cb 0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1u45 h LYS 450 CO -0.02 0.85 0.31 0.00 -0.57 0.00 0.00 179.45 180.02 1u45 h ALA 451 N 0.76 0.93 -0.70 3.86 0.00 -0.61 -1.80 119.26 121.69 1u45 h ALA 451 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1u45 h ALA 451 Cb 0.66 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1u45 h ALA 451 CO 0.04 0.53 0.21 0.00 0.00 0.00 0.00 179.25 180.03 1u45 h ALA 452 N 1.15 1.04 -0.32 0.00 0.00 -0.54 -0.72 119.26 119.87 1u45 h ALA 452 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u45 h ALA 452 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u45 h ALA 452 CO -0.02 0.64 0.13 0.00 0.00 0.00 0.00 179.25 180.00 1u45 h ALA 453 N 1.18 0.42 -0.48 0.00 0.00 -0.93 -1.30 119.26 118.15 1u45 h ALA 453 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u45 h ALA 453 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1u45 h ALA 453 CO -0.01 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.38 1u45 h ILE 454 N 0.37 1.13 -0.51 0.00 2.04 -1.08 0.23 117.51 119.69 1u45 h ILE 454 Ca 0.11 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1u45 h ILE 454 Cb 0.18 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1u45 h ILE 454 CO -0.01 0.13 0.22 -0.25 0.00 0.00 0.00 178.15 178.24 1u45 h TRP 455 N 0.65 0.39 -0.06 1.37 2.91 -0.88 -2.07 115.95 118.26 1u45 h TRP 455 Ca 0.17 0.02 -0.23 0.00 1.13 0.00 0.00 58.89 59.99 1u45 h TRP 455 Cb -0.05 -0.10 0.01 0.00 -0.51 0.00 0.00 29.16 28.51 1u45 h TRP 455 CO -0.04 0.16 -0.88 1.49 -1.03 0.00 0.00 178.44 178.14 1u45 h GLU 456 N 0.42 0.57 0.00 2.65 4.57 -0.91 -3.35 114.58 118.53 1u45 h GLU 456 Ca 0.24 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1u45 h GLU 456 Cb 0.21 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1u45 h GLU 456 CO -0.21 1.16 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.62 1u45 h LEU 457 N 0.36 0.00 -0.30 1.64 3.38 -0.38 -3.38 115.31 116.63 1u45 h LEU 457 Ca -0.07 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1u45 h LEU 457 Cb 1.50 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 1u45 h LEU 457 CO 0.16 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.34 1u45 h GLU 458 N 0.00 -0.24 0.28 1.13 4.81 -1.52 -1.78 114.58 117.27 1u45 h GLU 458 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1u45 h GLU 458 Cb 0.97 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1u45 h GLU 458 CO 0.00 -0.16 -0.32 -0.09 -0.73 0.00 0.00 179.01 177.71 1u45 h ARG 459 N -0.25 -0.62 -0.59 1.92 2.43 -1.83 -0.59 114.38 114.84 1u45 h ARG 459 Ca 0.15 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1u45 h ARG 459 Cb 0.49 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1u45 h ARG 459 CO -0.45 -0.41 0.31 -1.00 -1.51 0.00 0.00 179.97 176.91 1u45 h PRO 460 N -0.64 0.82 -0.31 0.20 0.13 -1.76 0.09 132.00 130.53 1u45 h PRO 460 Ca -0.01 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 1u45 h PRO 460 Cb 0.60 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1u45 h PRO 460 CO -0.08 0.61 -0.04 0.74 -0.23 0.00 0.00 178.00 179.00 1u45 h PHE 461 N 0.83 0.63 -0.74 1.56 -1.00 -1.11 -1.80 116.94 115.30 1u45 h PHE 461 Ca 0.21 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1u45 h PHE 461 Cb 0.04 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1u45 h PHE 461 CO 0.01 0.73 0.28 -0.07 -1.61 0.00 0.00 178.31 177.65 1u45 h LEU 462 N 0.35 1.03 -0.11 1.54 3.38 -0.81 -0.88 115.31 119.81 1u45 h LEU 462 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u45 h LEU 462 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u45 h LEU 462 CO 0.02 0.92 0.07 0.44 0.09 0.00 0.00 178.44 179.99 1u45 h ASP 463 N 1.08 0.13 -0.41 -0.43 3.45 -0.83 -1.06 116.42 118.37 1u45 h ASP 463 Ca 0.25 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.59 1u45 h ASP 463 Cb 0.23 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1u45 h ASP 463 CO -0.02 0.12 -0.06 -0.08 -1.57 0.00 0.00 179.24 177.63 1u45 h GLU 464 N 0.13 0.84 -0.48 3.56 4.81 -1.11 -1.73 114.58 120.60 1u45 h GLU 464 Ca 0.04 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1u45 h GLU 464 Cb 0.01 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1u45 h GLU 464 CO -0.01 0.88 0.27 -0.07 -0.73 0.00 0.00 179.01 179.35 1u45 h LEU 465 N 0.76 0.42 -0.57 1.64 3.38 -0.90 -0.63 115.31 119.41 1u45 h LEU 465 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1u45 h LEU 465 Cb 0.55 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1u45 h LEU 465 CO 0.03 0.30 0.34 -0.09 0.09 0.00 0.00 178.44 179.11 1u45 h ARG 466 N 0.54 0.65 -0.36 1.13 9.65 -0.83 0.17 114.38 125.33 1u45 h ARG 466 Ca 0.20 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1u45 h ARG 466 Cb 0.05 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 1u45 h ARG 466 CO -0.10 0.43 0.17 0.00 2.80 0.00 0.00 179.97 183.27 1u45 h ARG 467 N 0.67 0.49 -0.02 0.20 3.08 -0.61 -0.97 114.38 117.22 1u45 h ARG 467 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u45 h ARG 467 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1u45 h ARG 467 CO -0.11 0.39 0.00 0.09 -1.07 0.00 0.00 179.97 179.27 1u45 n ASN 468 N -4.42 0.72 -2.89 7.04 3.02 -0.31 -4.90 115.26 113.52 1u45 n ASN 468 Ca 0.02 -1.29 -0.20 0.00 -0.03 0.00 0.00 54.58 53.08 1u45 n ASN 468 Cb 0.11 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1u45 n ASN 468 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u45 n GLU 469 N -0.41 -5.31 -0.04 3.52 1.02 -0.37 -4.89 120.64 114.15 1u45 n GLU 469 Ca 0.21 0.79 0.02 0.00 -0.02 0.00 0.00 57.16 58.16 1u45 n GLU 469 Cb 0.22 -5.48 0.05 0.00 -0.02 0.00 0.00 31.44 26.20 1u45 n GLU 469 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u45 n GLN 470 N -3.96 1.61 -0.24 3.49 6.02 0.49 -4.72 117.38 120.06 1u45 n GLN 470 Ca -0.06 -1.35 -0.04 0.00 -0.01 0.00 0.00 57.00 55.54 1u45 n GLN 470 Cb 0.59 -1.10 0.07 0.00 1.02 0.00 0.00 30.24 30.81 1u45 n GLN 470 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1u45 h ASP 471 N 0.89 0.73 0.69 1.08 2.03 -1.84 -1.91 116.42 118.08 1u45 h ASP 471 Ca 0.00 -0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1u45 h ASP 471 Cb 0.43 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 1u45 h ASP 471 CO 0.00 0.51 -0.61 0.03 -1.03 0.00 0.00 179.24 178.14 1u45 h ARG 472 N 0.87 0.00 -0.75 4.15 3.08 -1.93 -1.81 114.38 117.99 1u45 h ARG 472 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1u45 h ARG 472 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1u45 h ARG 472 CO -0.09 0.61 0.43 1.25 -1.07 0.00 0.00 179.97 181.11 1u45 h LEU 473 N 0.00 0.91 0.01 3.04 5.85 -1.65 0.50 115.31 123.97 1u45 h LEU 473 Ca -0.01 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1u45 h LEU 473 Cb 1.12 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1u45 h LEU 473 CO 0.08 0.72 -0.01 0.25 -0.34 0.00 0.00 178.44 179.14 1u45 h LEU 474 N 1.04 -0.01 -0.38 2.25 5.85 -1.25 -1.30 115.31 121.51 1u45 h LEU 474 Ca 0.27 -0.69 -0.19 0.00 0.84 0.00 0.00 57.88 58.11 1u45 h LEU 474 Cb -0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1u45 h LEU 474 CO -0.05 0.82 -0.73 0.58 -0.34 0.00 0.00 178.44 178.72 1u45 h VAL 475 N -0.98 1.37 0.00 1.05 2.07 -1.27 -0.94 116.25 117.55 1u45 h VAL 475 Ca -0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1u45 h VAL 475 Cb 0.70 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1u45 h VAL 475 CO 0.00 0.64 -1.04 -0.62 0.02 0.00 0.00 177.57 176.57 1u45 n GLU 476 N -3.85 0.81 0.00 1.57 1.02 0.17 -4.45 120.64 115.91 1u45 n GLU 476 Ca -0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1u45 n GLU 476 Cb 0.71 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1u45 n GLU 476 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1u45 n LEU 477 N -1.55 0.00 -0.08 -4.62 7.94 -1.13 -4.73 117.00 112.82 1u45 n LEU 477 Ca 0.02 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.83 1u45 n LEU 477 Cb 0.32 -0.05 -0.02 0.00 0.53 0.00 0.00 43.42 44.20 1u45 n LEU 477 CO 0.38 -0.45 0.95 -0.33 -1.11 0.00 0.00 177.39 176.83 1u45 h GLU 478 N 0.00 0.40 -0.32 1.96 4.39 -1.27 -1.43 114.58 118.30 1u45 h GLU 478 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1u45 h GLU 478 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1u45 h GLU 478 CO 0.00 0.33 0.08 1.96 -1.16 0.00 0.00 179.01 180.23 1u45 h GLN 479 N 0.35 0.52 -0.28 2.33 4.20 -1.42 0.11 115.11 120.91 1u45 h GLN 479 Ca 0.10 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1u45 h GLN 479 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1u45 h GLN 479 CO -0.02 0.58 -0.11 -1.35 -0.67 0.00 0.00 178.83 177.26 1u45 h PRO 480 N 0.37 0.48 -0.64 1.46 0.11 -1.77 -2.40 132.00 129.61 1u45 h PRO 480 Ca 0.10 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1u45 h PRO 480 Cb 0.29 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1u45 h PRO 480 CO 0.00 0.59 0.11 1.25 -0.21 0.00 0.00 178.00 179.74 1u45 h LEU 481 N 0.44 0.99 -0.77 2.35 5.85 -0.94 -2.72 115.31 120.51 1u45 h LEU 481 Ca 0.08 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.72 1u45 h LEU 481 Cb 0.47 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1u45 h LEU 481 CO 0.03 0.98 0.33 -1.28 -0.34 0.00 0.00 178.44 178.16 1u45 h SER 482 N 0.97 0.34 -0.07 1.25 0.87 -0.45 0.23 113.55 116.70 1u45 h SER 482 Ca 0.20 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1u45 h SER 482 Cb 0.41 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1u45 h SER 482 CO 0.01 0.14 -0.23 0.28 -0.53 0.00 0.00 176.83 176.50 1u45 h SER 483 N 0.49 0.49 -0.23 6.23 0.02 -1.41 -1.32 113.55 117.81 1u45 h SER 483 Ca 0.42 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 1u45 h SER 483 Cb 0.61 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1u45 h SER 483 CO -0.38 0.72 -0.31 0.40 -1.14 0.00 0.00 176.83 176.11 1u45 h ILE 484 N 0.43 1.32 -0.37 3.27 2.04 -0.77 -2.55 117.51 120.88 1u45 h ILE 484 Ca 0.07 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 1u45 h ILE 484 Cb 0.63 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1u45 h ILE 484 CO 0.05 0.47 0.10 -0.07 0.00 0.00 0.00 178.15 178.69 1u45 h LEU 485 N 0.32 0.49 -0.63 1.44 3.38 -0.45 -1.57 115.31 118.29 1u45 h LEU 485 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1u45 h LEU 485 Cb 0.89 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1u45 h LEU 485 CO 0.07 0.49 0.30 0.00 0.09 0.00 0.00 178.44 179.40 1u45 h ALA 486 N 1.58 0.81 -0.47 1.53 0.00 -1.06 -0.47 119.26 121.18 1u45 h ALA 486 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1u45 h ALA 486 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u45 h ALA 486 CO -0.00 0.37 0.07 0.93 0.00 0.00 0.00 179.25 180.61 1u45 h GLU 487 N 0.86 0.79 -0.12 0.00 5.08 -0.97 -1.46 114.58 118.77 1u45 h GLU 487 Ca 0.22 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1u45 h GLU 487 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1u45 h GLU 487 CO -0.03 0.81 0.06 0.52 -1.00 0.00 0.00 179.01 179.37 1u45 h MET 488 N 0.66 0.17 -0.44 2.33 2.86 -1.02 -0.06 114.93 119.42 1u45 h MET 488 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1u45 h MET 488 Cb 0.41 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1u45 h MET 488 CO 0.01 0.20 0.23 0.93 1.06 0.00 0.00 176.91 179.35 1u45 h GLU 489 N 0.09 0.63 -0.71 1.72 5.08 -1.06 -1.70 114.58 118.63 1u45 h GLU 489 Ca 0.04 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1u45 h GLU 489 Cb 0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1u45 h GLU 489 CO -0.01 0.51 0.19 0.35 -1.00 0.00 0.00 179.01 179.06 1u45 h PHE 490 N 0.58 1.16 -0.38 4.33 3.57 -1.13 -2.89 116.94 122.19 1u45 h PHE 490 Ca 0.16 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1u45 h PHE 490 Cb 0.08 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1u45 h PHE 490 CO -0.02 0.93 0.16 0.00 -2.23 0.00 0.00 178.31 177.16 1u45 h ALA 491 N 1.14 0.50 -1.32 2.41 0.00 -0.77 -3.49 119.26 117.73 1u45 h ALA 491 Ca 0.23 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1u45 h ALA 491 Cb 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1u45 h ALA 491 CO -0.00 0.09 -0.26 0.41 0.00 0.00 0.00 179.25 179.49 1u45 n GLY 492 N -0.80 -1.74 3.16 0.00 0.00 -0.66 -4.92 105.19 100.23 1u45 n GLY 492 Ca -0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1u45 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u45 s VAL 493 N -1.80 1.66 0.17 1.61 1.01 -0.65 -4.93 120.40 117.46 1u45 s VAL 493 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1u45 s VAL 493 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 1u45 s VAL 493 CO 0.00 0.47 1.10 -0.75 0.00 0.00 0.00 175.10 175.92 1u45 s LYS 494 N 0.27 4.59 -0.09 2.72 2.47 -1.24 -0.89 119.74 127.57 1u45 s LYS 494 Ca -0.12 1.70 0.02 0.00 -1.56 0.00 0.00 55.97 56.02 1u45 s LYS 494 Cb -0.15 -3.29 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 1u45 s LYS 494 CO 0.05 0.06 -0.16 0.08 0.16 0.00 0.00 175.35 175.54 1u45 s VAL 495 N -0.14 2.83 -1.05 4.02 1.01 0.28 -1.52 120.40 125.82 1u45 s VAL 495 Ca 0.50 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1u45 s VAL 495 Cb -0.29 -2.13 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1u45 s VAL 495 CO 0.34 0.56 1.31 -0.62 0.00 0.00 0.00 175.10 176.69 1u45 s ASP 496 N -0.11 6.75 0.49 3.32 -1.08 0.15 -4.84 116.67 121.35 1u45 s ASP 496 Ca -0.03 -2.24 0.14 0.00 -0.52 0.00 0.00 52.55 49.90 1u45 s ASP 496 Cb -0.14 -2.44 1.15 0.00 -1.46 0.00 0.00 42.92 40.03 1u45 s ASP 496 CO 0.04 -1.06 2.11 0.71 0.52 0.00 0.00 175.17 177.49 1u45 h THR 497 N 5.65 1.04 -0.19 1.71 1.35 -1.91 -1.72 112.91 118.84 1u45 h THR 497 Ca 0.23 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.82 1u45 h THR 497 Cb 0.97 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1u45 h THR 497 CO 1.22 0.05 -0.43 0.11 -0.25 0.00 0.00 175.52 176.23 1u45 h LYS 498 N 0.10 0.46 -0.31 4.72 1.57 -1.99 -1.00 116.57 120.12 1u45 h LYS 498 Ca 0.03 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1u45 h LYS 498 Cb 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1u45 h LYS 498 CO -0.00 0.80 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.52 1u45 h ARG 499 N 0.37 0.59 -0.44 3.15 9.65 -1.75 -2.03 114.38 123.93 1u45 h ARG 499 Ca 0.03 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1u45 h ARG 499 Cb 0.90 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.43 1u45 h ARG 499 CO 0.08 0.78 0.28 -0.07 2.80 0.00 0.00 179.97 183.83 1u45 h LEU 500 N 0.37 0.51 -0.74 3.80 3.38 -1.19 -1.19 115.31 120.24 1u45 h LEU 500 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u45 h LEU 500 Cb 0.56 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1u45 h LEU 500 CO 0.03 0.40 0.44 -0.33 0.09 0.00 0.00 178.44 179.07 1u45 h GLU 501 N 0.58 1.02 -0.55 1.13 5.08 -1.10 0.20 114.58 120.93 1u45 h GLU 501 Ca 0.16 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1u45 h GLU 501 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1u45 h GLU 501 CO -0.03 0.73 -0.02 0.37 -1.00 0.00 0.00 179.01 179.06 1u45 h GLN 502 N 1.02 0.99 -0.60 2.33 5.75 -1.12 -1.09 115.11 122.38 1u45 h GLN 502 Ca 0.27 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1u45 h GLN 502 Cb -0.02 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1u45 h GLN 502 CO -0.05 1.00 0.18 0.52 -2.65 0.00 0.00 178.83 177.83 1u45 h MET 503 N 0.87 0.90 -0.97 1.69 2.86 -0.82 -1.87 114.93 117.59 1u45 h MET 503 Ca 0.15 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1u45 h MET 503 Cb 0.56 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 1u45 h MET 503 CO 0.03 0.78 0.61 0.78 1.06 0.00 0.00 176.91 180.17 1u45 h GLY 504 N 1.00 1.39 0.80 8.32 0.00 0.07 -0.29 103.07 114.37 1u45 h GLY 504 Ca 0.20 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1u45 h GLY 504 CO -0.01 0.55 0.02 0.50 0.00 0.00 0.00 176.54 177.60 1u45 h LYS 505 N 1.33 0.17 -0.90 4.80 1.57 -0.57 -1.12 116.57 121.86 1u45 h LYS 505 Ca 0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1u45 h LYS 505 Cb -0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1u45 h LYS 505 CO -0.07 0.36 0.54 0.93 -0.57 0.00 0.00 179.45 180.64 1u45 h GLU 506 N -0.04 1.22 -0.55 3.15 5.08 -1.04 -2.24 114.58 120.15 1u45 h GLU 506 Ca 0.03 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1u45 h GLU 506 Cb 0.27 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1u45 h GLU 506 CO 0.00 0.85 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.75 1u45 h LEU 507 N 1.24 0.99 -1.81 1.33 3.38 -0.93 -2.14 115.31 117.36 1u45 h LEU 507 Ca 0.32 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1u45 h LEU 507 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1u45 h LEU 507 CO -0.06 1.08 0.18 0.00 0.09 0.00 0.00 178.44 179.72 1u45 h ALA 508 N 0.95 1.93 0.14 1.53 0.00 -0.64 0.30 119.26 123.46 1u45 h ALA 508 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1u45 h ALA 508 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u45 h ALA 508 CO 0.04 0.03 -0.07 1.49 0.00 0.00 0.00 179.25 180.74 1u45 h GLU 509 N 0.25 -0.18 -0.61 0.00 4.81 -1.04 -2.34 114.58 115.47 1u45 h GLU 509 Ca 0.11 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1u45 h GLU 509 Cb 0.12 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1u45 h GLU 509 CO -0.02 0.28 0.37 1.96 -0.73 0.00 0.00 179.01 180.87 1u45 h GLN 510 N -0.83 0.70 -0.86 1.92 4.20 -1.03 -1.43 115.11 117.79 1u45 h GLN 510 Ca -0.02 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1u45 h GLN 510 Cb 0.54 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1u45 h GLN 510 CO 0.03 0.47 0.57 1.25 -0.67 0.00 0.00 178.83 180.47 1u45 h LEU 511 N 0.73 0.96 -0.57 1.46 5.85 -0.50 -0.50 115.31 122.74 1u45 h LEU 511 Ca 0.25 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1u45 h LEU 511 Cb 0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1u45 h LEU 511 CO -0.11 0.69 0.06 1.23 -0.34 0.00 0.00 178.44 179.97 1u45 h GLY 512 N 1.13 1.04 0.88 3.75 0.00 -0.75 0.89 103.07 110.01 1u45 h GLY 512 Ca 0.32 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1u45 h GLY 512 CO -0.08 0.67 0.07 -0.84 0.00 0.00 0.00 176.54 176.36 1u45 h THR 513 N 0.86 1.17 -0.49 4.70 2.02 -0.45 -1.75 112.91 118.96 1u45 h THR 513 Ca 0.17 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1u45 h THR 513 Cb 0.46 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1u45 h THR 513 CO 0.02 0.16 0.05 0.58 0.37 0.00 0.00 175.52 176.70 1u45 h VAL 514 N 0.13 1.26 -0.36 3.16 2.07 -1.04 -1.11 116.25 120.37 1u45 h VAL 514 Ca 0.06 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1u45 h VAL 514 Cb 0.20 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1u45 h VAL 514 CO -0.00 0.35 0.09 -0.08 0.02 0.00 0.00 177.57 177.94 1u45 h GLU 515 N 0.71 0.21 -0.32 1.57 4.81 -0.70 -0.19 114.58 120.66 1u45 h GLU 515 Ca 0.15 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1u45 h GLU 515 Cb 0.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1u45 h GLU 515 CO 0.02 0.14 -0.24 1.96 -0.73 0.00 0.00 179.01 180.16 1u45 h GLN 516 N 0.22 0.63 -0.18 1.92 1.08 -1.19 -2.11 115.11 115.47 1u45 h GLN 516 Ca 0.17 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1u45 h GLN 516 Cb 0.18 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1u45 h GLN 516 CO -0.21 0.82 -0.07 -0.09 -0.95 0.00 0.00 178.83 178.33 1u45 h ARG 517 N 0.55 0.27 -0.13 1.46 9.65 -0.52 -0.93 114.38 124.73 1u45 h ARG 517 Ca 0.08 -0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.69 1u45 h ARG 517 Cb 0.70 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1u45 h ARG 517 CO 0.05 0.36 -0.77 0.82 2.80 0.00 0.00 179.97 183.24 1u45 h ILE 518 N 0.27 1.29 -0.36 1.20 2.04 -0.58 -1.99 117.51 119.38 1u45 h ILE 518 Ca 0.06 -1.98 -0.09 0.00 1.00 0.00 0.00 64.86 63.85 1u45 h ILE 518 Cb 0.30 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1u45 h ILE 518 CO 0.01 0.62 -0.16 1.88 0.00 0.00 0.00 178.15 180.51 1u45 h TYR 519 N 0.47 0.71 -0.12 1.37 0.05 -1.06 -0.76 116.97 117.63 1u45 h TYR 519 Ca -0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.58 1u45 h TYR 519 Cb 1.40 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 1u45 h TYR 519 CO 0.09 0.77 0.06 1.49 -1.05 0.00 0.00 178.16 179.52 1u45 h GLU 520 N 0.59 0.18 0.00 4.88 4.81 -1.12 0.76 114.58 124.67 1u45 h GLU 520 Ca 0.10 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1u45 h GLU 520 Cb 0.60 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1u45 h GLU 520 CO 0.04 0.25 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.10 1u45 h LEU 521 N 0.06 0.00 0.00 1.64 3.38 -1.21 -2.91 115.31 116.28 1u45 h LEU 521 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u45 h LEU 521 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u45 h LEU 521 CO -0.00 0.40 -0.48 0.00 0.09 0.00 0.00 178.44 178.45 1u45 h ALA 522 N 1.60 0.72 -0.39 1.53 0.00 -0.94 -3.48 119.26 118.30 1u45 h ALA 522 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1u45 h ALA 522 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1u45 h ALA 522 CO 0.05 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.59 1u45 n GLY 523 N 1.25 0.73 3.61 0.00 0.00 0.19 -4.97 105.19 106.00 1u45 n GLY 523 Ca 0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 1u45 n GLY 523 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u45 s GLN 524 N -2.82 0.05 -0.00 1.61 -2.07 -0.79 -5.04 119.66 110.60 1u45 s GLN 524 Ca 0.00 -0.02 -0.07 0.00 -1.82 0.00 0.00 55.36 53.45 1u45 s GLN 524 Cb 0.00 0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.89 1u45 s GLN 524 CO 0.00 -0.02 0.27 -1.21 -1.32 0.00 0.00 175.29 173.00 1u45 s GLU 525 N -2.06 3.59 0.26 9.60 2.02 -1.26 -4.42 118.70 126.42 1u45 s GLU 525 Ca 0.13 -0.05 -0.21 0.00 0.02 0.00 0.00 54.97 54.85 1u45 s GLU 525 Cb 0.02 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1u45 s GLU 525 CO -0.04 0.66 0.73 -0.59 0.02 0.00 0.00 175.26 176.04 1u45 s PHE 526 N -1.26 -0.21 -0.73 1.61 -0.71 -1.26 -5.10 117.98 110.31 1u45 s PHE 526 Ca 0.26 -0.21 -0.25 0.00 -1.04 0.00 0.00 56.93 55.69 1u45 s PHE 526 Cb -0.13 0.69 0.05 0.00 -1.21 0.00 0.00 43.02 42.42 1u45 s PHE 526 CO 0.15 -1.18 1.17 1.21 -1.34 0.00 0.00 175.22 175.23 1u45 s ASN 527 N -2.91 6.20 0.51 1.98 3.84 -1.26 -4.86 114.94 118.44 1u45 s ASN 527 Ca 0.10 -0.77 0.17 0.00 0.21 0.00 0.00 52.86 52.58 1u45 s ASN 527 Cb -0.05 -2.50 1.25 0.00 -0.55 0.00 0.00 41.25 39.39 1u45 s ASN 527 CO 0.05 -1.65 2.09 0.40 -2.79 0.00 0.00 177.10 175.21 1u45 h ILE 528 N 6.05 0.94 -0.06 -5.21 2.04 -1.99 -0.11 117.51 119.17 1u45 h ILE 528 Ca -0.24 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1u45 h ILE 528 Cb 1.05 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1u45 h ILE 528 CO 1.25 0.01 0.00 0.59 0.00 0.00 0.00 178.15 180.00 1u45 n ASN 529 N -4.49 0.35 -4.19 1.72 3.02 -1.26 -4.58 115.26 105.83 1u45 n ASN 529 Ca 0.01 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.19 1u45 n ASN 529 Cb 0.23 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.24 1u45 n ASN 529 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1u45 s SER 530 N -0.99 5.36 0.53 6.41 0.15 -0.05 -4.96 113.70 120.16 1u45 s SER 530 Ca 0.04 -1.69 0.25 0.00 0.70 0.00 0.00 55.95 55.25 1u45 s SER 530 Cb 0.02 -1.88 1.40 0.00 -1.71 0.00 0.00 66.02 63.86 1u45 s SER 530 CO 0.03 -0.50 2.00 1.55 1.20 0.00 0.00 173.24 177.52 1u45 h PRO 531 N 8.20 0.00 0.16 5.44 0.13 -1.84 0.28 132.00 144.36 1u45 h PRO 531 Ca -0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1u45 h PRO 531 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1u45 h PRO 531 CO 0.70 0.00 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.17 1u45 h LYS 532 N 0.00 -0.20 -0.66 0.86 1.63 -1.92 -0.68 116.57 115.60 1u45 h LYS 532 Ca 0.24 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1u45 h LYS 532 Cb 0.98 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1u45 h LYS 532 CO -0.00 0.20 0.18 1.96 -3.45 0.00 0.00 179.45 178.33 1u45 h GLN 533 N -0.67 1.05 -0.46 1.90 4.20 -1.61 -2.81 115.11 116.71 1u45 h GLN 533 Ca -0.02 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1u45 h GLN 533 Cb 0.49 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1u45 h GLN 533 CO 0.04 0.93 0.28 1.25 -0.67 0.00 0.00 178.83 180.66 1u45 h LEU 534 N 0.98 0.55 -0.77 1.46 5.85 -0.51 -2.62 115.31 120.25 1u45 h LEU 534 Ca 0.21 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1u45 h LEU 534 Cb 0.34 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1u45 h LEU 534 CO -0.00 0.44 0.44 1.23 -0.34 0.00 0.00 178.44 180.21 1u45 h GLY 535 N 0.61 1.17 0.99 3.75 0.00 -0.91 -0.49 103.07 108.20 1u45 h GLY 535 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1u45 h GLY 535 CO -0.03 0.17 0.30 -2.08 0.00 0.00 0.00 176.54 174.89 1u45 h VAL 536 N 0.78 1.21 -0.06 4.60 2.07 -1.25 -0.75 116.25 122.85 1u45 h VAL 536 Ca 0.36 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1u45 h VAL 536 Cb 0.26 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1u45 h VAL 536 CO -0.21 0.24 0.02 0.40 0.02 0.00 0.00 177.57 178.04 1u45 h ILE 537 N 0.82 1.14 0.22 4.57 1.08 -1.02 -0.61 117.51 123.71 1u45 h ILE 537 Ca 0.21 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1u45 h ILE 537 Cb 0.10 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1u45 h ILE 537 CO -0.03 0.12 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.37 1u45 h LEU 538 N -0.06 -0.25 -0.09 1.44 3.38 -0.99 0.37 115.31 119.12 1u45 h LEU 538 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1u45 h LEU 538 Cb 0.17 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1u45 h LEU 538 CO -0.00 0.15 -0.51 0.49 0.09 0.00 0.00 178.44 178.66 1u45 n PHE 539 N -5.05 0.00 0.01 1.13 3.72 -0.30 -0.75 117.46 116.23 1u45 n PHE 539 Ca -0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 1u45 n PHE 539 Cb 0.25 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1u45 n PHE 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u45 n GLU 540 N -1.36 0.11 -0.11 -1.08 1.02 -0.36 -4.24 120.64 114.63 1u45 n GLU 540 Ca 0.06 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1u45 n GLU 540 Cb 0.34 -0.61 -0.03 0.00 -0.02 0.00 0.00 31.44 31.12 1u45 n GLU 540 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1u45 h LYS 541 N -0.20 0.51 -0.01 3.49 3.64 -1.04 -3.20 116.57 119.74 1u45 h LYS 541 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1u45 h LYS 541 Cb 0.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1u45 h LYS 541 CO 0.00 0.57 -0.29 1.28 -2.27 0.00 0.00 179.45 178.74 1u45 n LEU 542 N -4.65 1.58 -2.32 5.20 4.77 0.10 -4.98 117.00 116.70 1u45 n LEU 542 Ca -0.02 -0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 55.23 1u45 n LEU 542 Cb 0.19 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1u45 n LEU 542 CO 0.37 0.29 -0.26 0.00 -1.33 0.00 0.00 177.39 176.46 1u45 n GLN 543 N -0.19 -1.66 -2.13 3.23 1.13 -1.12 -4.96 117.38 111.68 1u45 n GLN 543 Ca 0.12 1.04 -0.36 0.00 -1.94 0.00 0.00 57.00 55.86 1u45 n GLN 543 Cb 0.41 -5.68 0.02 0.00 0.11 0.00 0.00 30.24 25.10 1u45 n GLN 543 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u45 s LEU 544 N -5.92 3.73 0.34 1.08 1.43 0.07 -4.94 118.68 114.47 1u45 s LEU 544 Ca 0.00 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 1u45 s LEU 544 Cb 0.00 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 1u45 s LEU 544 CO 0.00 -1.38 1.50 -2.84 0.23 0.00 0.00 176.35 173.86 1u45 s PRO 545 N -3.26 4.14 -0.46 1.29 0.02 -1.26 -4.55 135.00 130.92 1u45 s PRO 545 Ca 0.74 2.53 -0.18 0.00 0.02 0.00 0.00 61.00 64.12 1u45 s PRO 545 Cb -0.28 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.29 1u45 s PRO 545 CO 0.31 -0.53 0.50 0.08 -0.33 0.00 0.00 177.00 177.03 1u45 s VAL 546 N -0.74 5.04 -0.86 3.83 1.01 -1.26 -4.87 120.40 122.54 1u45 s VAL 546 Ca 0.56 -0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.19 1u45 s VAL 546 Cb -0.46 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 31.65 1u45 s VAL 546 CO 0.57 -0.58 0.68 0.18 0.00 0.00 0.00 175.10 175.95 1u45 n LEU 547 N 5.73 0.89 -3.70 3.92 4.77 -1.26 -4.96 117.00 122.39 1u45 n LEU 547 Ca -0.08 -0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 55.22 1u45 n LEU 547 Cb 0.46 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1u45 n LEU 547 CO 0.49 0.20 -0.13 -0.75 -1.33 0.00 0.00 177.39 175.88 1u45 s LYS 548 N -2.30 0.18 -0.52 3.23 2.20 -1.26 -5.11 119.74 116.16 1u45 s LYS 548 Ca 0.07 0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1u45 s LYS 548 Cb 0.12 -0.10 0.14 0.00 -1.51 0.00 0.00 37.83 36.47 1u45 s LYS 548 CO 0.57 -0.21 0.30 0.21 -0.36 0.00 0.00 175.35 175.86 1u45 s LYS 549 N 1.67 2.17 0.20 4.03 2.47 -1.26 -3.15 119.74 125.87 1u45 s LYS 549 Ca -0.06 -2.33 -0.03 0.00 -1.56 0.00 0.00 55.97 51.99 1u45 s LYS 549 Cb -0.11 -3.54 0.05 0.00 -1.46 0.00 0.00 37.83 32.77 1u45 s LYS 549 CO -0.08 -1.11 0.27 0.25 0.16 0.00 0.00 175.35 174.83 1u45 n THR 550 N 3.71 0.00 0.00 3.43 -2.24 -1.26 -4.97 114.28 112.95 1u45 n THR 550 Ca 0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1u45 n THR 550 Cb 0.38 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1u45 n THR 550 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u45 n LYS 551 N -1.59 0.00 -4.21 -0.78 4.76 -1.26 -4.52 118.16 110.56 1u45 n LYS 551 Ca 0.03 0.29 -0.30 0.00 -2.87 0.00 0.00 58.31 55.46 1u45 n LYS 551 Cb 0.12 -0.57 -0.09 0.00 -1.84 0.00 0.00 35.03 32.65 1u45 n LYS 551 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1u45 s THR 552 N -1.07 3.74 0.00 -0.18 -1.32 -1.26 -5.02 115.64 110.52 1u45 s THR 552 Ca 0.00 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 1u45 s THR 552 Cb 0.00 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 1u45 s THR 552 CO 0.00 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1u45 n GLY 553 N 0.77 2.37 3.90 6.08 0.00 -1.26 -4.74 105.19 112.31 1u45 n GLY 553 Ca -0.12 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1u45 n GLY 553 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u45 s TYR 554 N 0.00 1.96 -0.12 1.61 1.51 -1.26 -4.20 117.35 116.85 1u45 s TYR 554 Ca 0.00 -0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1u45 s TYR 554 Cb 0.00 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1u45 s TYR 554 CO 0.00 -0.43 -0.03 0.45 -1.11 0.00 0.00 175.55 174.43 1u45 s SER 555 N -4.27 4.94 -0.20 2.29 0.15 -1.19 -4.67 113.70 110.75 1u45 s SER 555 Ca 0.42 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 57.20 1u45 s SER 555 Cb -0.03 -1.57 0.45 0.00 -1.71 0.00 0.00 66.02 63.16 1u45 s SER 555 CO 0.25 0.27 1.18 0.35 1.20 0.00 0.00 173.24 176.50 1u45 n THR 556 N 2.84 1.75 -0.93 6.45 -2.24 -1.26 -4.90 114.28 115.99 1u45 n THR 556 Ca -0.18 -3.07 -0.30 0.00 -2.27 0.00 0.00 64.05 58.24 1u45 n THR 556 Cb 0.53 -0.04 0.17 0.00 -2.10 0.00 0.00 70.33 68.89 1u45 n THR 556 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1u45 s SER 557 N -3.20 2.81 0.13 3.42 1.04 -1.26 -4.74 113.70 111.90 1u45 s SER 557 Ca 0.39 1.69 -0.27 0.00 0.48 0.00 0.00 55.95 58.25 1u45 s SER 557 Cb 0.38 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1u45 s SER 557 CO -0.05 -3.09 1.61 0.00 0.98 0.00 0.00 173.24 172.69 1u45 h ALA 558 N -1.86 -0.42 0.00 5.32 0.00 -1.99 -1.66 119.26 118.65 1u45 h ALA 558 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1u45 h ALA 558 Cb 1.29 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1u45 h ALA 558 CO 0.50 -0.82 0.00 0.38 0.00 0.00 0.00 179.25 179.31 1u45 h ASP 559 N -0.43 0.00 0.02 0.00 3.04 -1.99 -0.76 116.42 116.30 1u45 h ASP 559 Ca 0.08 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1u45 h ASP 559 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 1u45 h ASP 559 CO -0.32 0.00 -0.01 0.58 -2.04 0.00 0.00 179.24 177.46 1u45 h VAL 560 N 0.00 1.43 -0.38 4.15 2.07 -1.72 -3.09 116.25 118.71 1u45 h VAL 560 Ca 0.00 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 1u45 h VAL 560 Cb 0.40 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1u45 h VAL 560 CO 0.00 0.37 -0.05 -0.07 0.02 0.00 0.00 177.57 177.83 1u45 h LEU 561 N -0.66 0.60 -1.86 2.57 3.38 -1.04 -2.04 115.31 116.25 1u45 h LEU 561 Ca -0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1u45 h LEU 561 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1u45 h LEU 561 CO 0.00 0.71 0.16 -0.33 0.09 0.00 0.00 178.44 179.07 1u45 h GLU 562 N 0.59 0.18 0.00 1.13 5.08 -1.19 0.21 114.58 120.56 1u45 h GLU 562 Ca 0.11 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1u45 h GLU 562 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1u45 h GLU 562 CO 0.02 0.12 -0.51 0.87 -1.00 0.00 0.00 179.01 178.51 1u45 h LYS 563 N 0.18 0.00 0.00 2.33 1.57 -1.30 -3.29 116.57 116.06 1u45 h LYS 563 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1u45 h LYS 563 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1u45 h LYS 563 CO -0.02 0.11 -0.89 1.28 -0.57 0.00 0.00 179.45 179.36 1u45 n LEU 564 N -2.98 0.65 -0.30 2.94 4.77 -0.15 -4.44 117.00 117.49 1u45 n LEU 564 Ca 0.01 0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 1u45 n LEU 564 Cb 0.60 -0.12 0.25 0.00 -2.33 0.00 0.00 43.42 41.81 1u45 n LEU 564 CO 0.38 -0.01 0.85 0.00 -1.33 0.00 0.00 177.39 177.28 1u45 h ALA 565 N 2.48 1.07 0.00 -1.18 0.00 -0.75 -0.12 119.26 120.76 1u45 h ALA 565 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1u45 h ALA 565 Cb 0.76 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1u45 h ALA 565 CO 0.00 -0.49 -0.00 -1.35 0.00 0.00 0.00 179.25 177.40 1u45 h PRO 566 N 0.10 0.00 0.00 0.00 0.11 -1.83 -3.06 132.00 127.31 1u45 h PRO 566 Ca 0.52 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.45 1u45 h PRO 566 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1u45 h PRO 566 CO -0.76 0.00 -1.00 1.88 -0.21 0.00 0.00 178.00 177.91 1u45 h TYR 567 N 0.00 0.00 -2.37 0.65 -1.99 -1.32 -3.47 116.97 108.47 1u45 h TYR 567 Ca -0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1u45 h TYR 567 Cb 0.04 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 38.55 1u45 h TYR 567 CO 0.00 0.77 -0.04 -1.58 -0.00 0.00 0.00 178.16 177.31 1u45 s HIS 568 N -2.81 -0.61 -0.32 4.88 2.46 -1.16 -5.03 115.29 112.71 1u45 s HIS 568 Ca 0.01 1.45 0.22 0.00 0.47 0.00 0.00 55.06 57.21 1u45 s HIS 568 Cb 0.09 0.22 1.09 0.00 -0.13 0.00 0.00 32.58 33.84 1u45 s HIS 568 CO 0.80 -0.32 1.68 -1.91 -2.47 0.00 0.00 174.74 172.52 1u45 n GLU 569 N 2.61 0.16 0.08 2.88 2.13 -1.26 -2.63 120.64 124.61 1u45 n GLU 569 Ca -0.14 0.55 -0.05 0.00 0.66 0.00 0.00 57.16 58.17 1u45 n GLU 569 Cb 0.56 -1.92 0.11 0.00 0.27 0.00 0.00 31.44 30.46 1u45 n GLU 569 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1u45 h ILE 570 N 0.00 1.39 -0.27 6.31 2.10 -1.93 -3.31 117.51 121.80 1u45 h ILE 570 Ca 0.00 -2.02 0.03 0.00 1.08 0.00 0.00 64.86 63.95 1u45 h ILE 570 Cb 0.16 2.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.89 1u45 h ILE 570 CO 0.00 0.60 0.09 0.58 -1.08 0.00 0.00 178.15 178.34 1u45 h VAL 571 N 0.17 0.93 -0.62 2.19 2.07 -1.83 -1.03 116.25 118.14 1u45 h VAL 571 Ca -0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1u45 h VAL 571 Cb 1.13 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1u45 h VAL 571 CO 0.10 0.04 0.34 1.05 0.02 0.00 0.00 177.57 179.12 1u45 h GLU 572 N 0.21 0.63 -0.74 1.57 4.11 -1.76 -1.56 114.58 117.04 1u45 h GLU 572 Ca 0.12 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.45 1u45 h GLU 572 Cb 0.09 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1u45 h GLU 572 CO -0.13 0.42 0.22 -0.91 0.07 0.00 0.00 179.01 178.68 1u45 h ASN 573 N 0.65 1.09 -0.77 3.06 2.35 -1.57 -1.36 115.58 119.03 1u45 h ASN 573 Ca 0.27 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1u45 h ASN 573 Cb 0.14 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1u45 h ASN 573 CO -0.16 1.02 0.34 0.40 -1.65 0.00 0.00 177.43 177.38 1u45 h ILE 574 N 1.11 1.25 -0.32 2.81 2.04 -0.65 0.33 117.51 124.08 1u45 h ILE 574 Ca 0.24 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1u45 h ILE 574 Cb 0.33 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1u45 h ILE 574 CO -0.01 0.31 0.06 -0.07 0.00 0.00 0.00 178.15 178.45 1u45 h LEU 575 N 1.10 0.50 -0.55 1.44 3.38 -0.98 -1.22 115.31 118.99 1u45 h LEU 575 Ca 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u45 h LEU 575 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1u45 h LEU 575 CO -0.03 0.62 0.23 -0.74 0.09 0.00 0.00 178.44 178.61 1u45 h HIS 576 N 0.36 0.83 -0.40 1.13 2.76 -0.90 -1.05 115.15 117.88 1u45 h HIS 576 Ca 0.10 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1u45 h HIS 576 Cb 0.33 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1u45 h HIS 576 CO 0.02 0.67 0.16 -0.92 -1.30 0.00 0.00 177.93 176.56 1u45 h TYR 577 N 0.74 0.29 -0.65 5.26 3.20 -0.17 -0.75 116.97 124.89 1u45 h TYR 577 Ca 0.18 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1u45 h TYR 577 Cb 0.18 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1u45 h TYR 577 CO 0.01 0.13 0.26 0.00 -1.64 0.00 0.00 178.16 176.92 1u45 h ARG 578 N 0.33 0.95 0.92 1.82 3.08 -0.92 0.31 114.38 120.87 1u45 h ARG 578 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1u45 h ARG 578 Cb 0.14 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.03 1u45 h ARG 578 CO -0.16 0.78 -0.44 0.37 -1.07 0.00 0.00 179.97 179.44 1u45 h GLN 579 N 0.94 -1.18 -0.74 0.04 4.15 -0.37 -1.52 115.11 116.43 1u45 h GLN 579 Ca 0.22 0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.69 1u45 h GLN 579 Cb 0.18 0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1u45 h GLN 579 CO -0.02 -0.79 0.33 -0.07 -1.93 0.00 0.00 178.83 176.35 1u45 h LEU 580 N -1.23 0.97 -1.33 -2.39 3.38 -1.05 -2.54 115.31 111.12 1u45 h LEU 580 Ca -0.13 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1u45 h LEU 580 Cb 0.94 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1u45 h LEU 580 CO 0.21 0.84 0.47 1.23 0.09 0.00 0.00 178.44 181.27 1u45 h GLY 581 N 1.10 0.99 1.40 0.83 0.00 -0.27 -0.63 103.07 106.50 1u45 h GLY 581 Ca 0.25 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 1u45 h GLY 581 CO -0.03 0.30 -0.60 1.70 0.00 0.00 0.00 176.54 177.91 1u45 h LYS 582 N 0.87 0.62 -0.49 4.80 1.63 -0.87 -1.83 116.57 121.30 1u45 h LYS 582 Ca 0.28 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 1u45 h LYS 582 Cb 0.04 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1u45 h LYS 582 CO -0.08 1.04 0.22 -0.07 -3.45 0.00 0.00 179.45 177.11 1u45 h LEU 583 N 0.46 0.66 0.28 5.20 3.38 -0.97 -1.34 115.31 122.98 1u45 h LEU 583 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1u45 h LEU 583 Cb 1.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1u45 h LEU 583 CO 0.12 0.62 -0.13 -0.61 0.09 0.00 0.00 178.44 178.53 1u45 h GLN 584 N 0.65 -0.36 -0.42 1.13 5.75 -1.10 -1.46 115.11 119.31 1u45 h GLN 584 Ca 0.17 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1u45 h GLN 584 Cb 0.15 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1u45 h GLN 584 CO -0.02 -0.05 0.11 0.66 -2.65 0.00 0.00 178.83 176.87 1u45 h SER 585 N -0.68 0.64 0.00 -0.69 4.64 -1.34 -0.43 113.55 115.69 1u45 h SER 585 Ca -0.04 -0.23 -0.32 0.00 -0.47 0.00 0.00 61.79 60.74 1u45 h SER 585 Cb 0.47 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 1u45 h SER 585 CO 0.06 0.71 -1.82 0.41 -0.87 0.00 0.00 176.83 175.32 1u45 n THR 586 N -4.54 1.52 1.39 2.95 -1.04 -0.51 -0.82 114.28 113.24 1u45 n THR 586 Ca 0.00 -0.17 0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1u45 n THR 586 Cb 0.21 -2.01 0.47 0.00 -1.82 0.00 0.00 70.33 67.18 1u45 n THR 586 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1u45 n TYR 587 N -4.36 0.00 0.00 -1.42 4.02 -0.64 -1.69 117.16 113.07 1u45 n TYR 587 Ca -0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 1u45 n TYR 587 Cb 0.75 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1u45 n TYR 587 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1u45 n ILE 588 N -0.27 0.00 0.06 -0.72 2.08 -0.65 -4.54 119.36 115.32 1u45 n ILE 588 Ca 0.16 0.06 -0.13 0.00 0.56 0.00 0.00 62.75 63.40 1u45 n ILE 588 Cb 0.34 -0.91 -0.08 0.00 -0.75 0.00 0.00 39.64 38.24 1u45 n ILE 588 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u45 h GLU 589 N 0.00 -0.10 -0.69 0.38 5.08 -1.22 -1.09 114.58 116.93 1u45 h GLU 589 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1u45 h GLU 589 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1u45 h GLU 589 CO 0.00 0.10 0.43 0.78 -1.00 0.00 0.00 179.01 179.32 1u45 h GLY 590 N -0.30 1.00 0.87 -3.84 0.00 -0.94 -2.17 103.07 97.70 1u45 h GLY 590 Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1u45 h GLY 590 CO 0.02 0.26 0.03 -2.00 0.00 0.00 0.00 176.54 174.85 1u45 h LEU 591 N 0.83 0.46 -2.04 3.11 5.85 -1.27 -2.73 115.31 119.52 1u45 h LEU 591 Ca 0.28 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1u45 h LEU 591 Cb 0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1u45 h LEU 591 CO -0.12 0.63 0.11 -0.07 -0.34 0.00 0.00 178.44 178.65 1u45 h LEU 592 N 0.28 0.00 -1.41 2.25 3.38 -0.95 -1.47 115.31 117.38 1u45 h LEU 592 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1u45 h LEU 592 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1u45 h LEU 592 CO 0.01 0.00 -0.29 0.11 0.09 0.00 0.00 178.44 178.36 1u45 h LYS 593 N 0.00 0.00 -0.06 1.13 1.57 -1.07 -3.11 116.57 115.02 1u45 h LYS 593 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1u45 h LYS 593 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1u45 h LYS 593 CO -0.00 0.29 0.00 1.33 -0.57 0.00 0.00 179.45 180.50 1u45 n VAL 594 N -3.98 0.07 -2.46 0.50 0.24 -0.59 -4.95 118.33 107.17 1u45 n VAL 594 Ca -0.02 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.34 61.33 1u45 n VAL 594 Cb 0.36 1.32 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1u45 n VAL 594 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u45 s VAL 595 N -1.51 3.91 -0.05 3.34 1.01 -1.01 -4.65 120.40 121.44 1u45 s VAL 595 Ca 0.23 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1u45 s VAL 595 Cb 0.16 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1u45 s VAL 595 CO 0.23 0.20 1.59 -0.13 0.00 0.00 0.00 175.10 176.99 1u45 s ARG 596 N 0.27 4.20 0.34 2.72 1.81 0.32 -4.89 118.95 123.71 1u45 s ARG 596 Ca 0.54 2.12 0.11 0.00 -1.72 0.00 0.00 55.73 56.79 1u45 s ARG 596 Cb -0.30 -3.91 0.92 0.00 -0.45 0.00 0.00 34.95 31.21 1u45 s ARG 596 CO 0.33 -0.81 1.75 -1.35 -0.68 0.00 0.00 175.30 174.54 1u45 h PRO 597 N 9.20 0.55 0.00 3.54 0.11 -1.93 0.43 132.00 143.90 1u45 h PRO 597 Ca -0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1u45 h PRO 597 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1u45 h PRO 597 CO 0.95 0.36 -0.05 0.38 -0.21 0.00 0.00 178.00 179.44 1u45 h ASP 598 N 0.56 0.00 0.91 -2.05 2.03 -1.97 -3.39 116.42 112.52 1u45 h ASP 598 Ca 0.62 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1u45 h ASP 598 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1u45 h ASP 598 CO -0.41 0.83 -0.77 0.71 -1.03 0.00 0.00 179.24 178.57 1u45 h THR 599 N -1.00 0.00 -1.11 1.15 1.35 -1.96 -3.47 112.91 107.87 1u45 h THR 599 Ca -0.01 -0.68 -0.29 0.00 -0.55 0.00 0.00 66.41 64.88 1u45 h THR 599 Cb 0.64 1.23 -0.08 0.00 -1.73 0.00 0.00 68.15 68.21 1u45 h THR 599 CO -0.01 0.00 -0.29 0.29 -0.25 0.00 0.00 175.52 175.26 1u45 n LYS 600 N -2.33 -1.03 -4.04 4.72 4.76 0.15 -4.85 118.16 115.54 1u45 n LYS 600 Ca 0.02 0.90 -0.25 0.00 -2.87 0.00 0.00 58.31 56.11 1u45 n LYS 600 Cb 0.48 -5.06 -0.04 0.00 -1.84 0.00 0.00 35.03 28.57 1u45 n LYS 600 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1u45 s LYS 601 N -3.68 3.12 -0.07 1.97 1.02 -1.25 -0.56 119.74 120.29 1u45 s LYS 601 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1u45 s LYS 601 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1u45 s LYS 601 CO 0.00 0.48 -0.16 0.14 -0.92 0.00 0.00 175.35 174.89 1u45 s VAL 602 N -1.84 2.89 -0.42 3.17 -7.23 -0.07 -0.52 120.40 116.39 1u45 s VAL 602 Ca 0.33 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 1u45 s VAL 602 Cb -0.10 -2.14 0.11 0.00 0.56 0.00 0.00 36.38 34.82 1u45 s VAL 602 CO 0.26 0.57 0.14 -1.00 -0.31 0.00 0.00 175.10 174.76 1u45 s HIS 603 N -0.40 3.47 0.97 2.82 0.09 -1.26 -1.64 115.29 119.34 1u45 s HIS 603 Ca 0.04 -3.06 -0.13 0.00 -0.00 0.00 0.00 55.06 51.92 1u45 s HIS 603 Cb -0.12 -2.86 0.17 0.00 -0.00 0.00 0.00 32.58 29.78 1u45 s HIS 603 CO 0.02 -0.86 1.12 -0.08 -0.00 0.00 0.00 174.74 174.95 1u45 s THR 604 N 0.40 1.97 -0.13 1.30 -1.32 -1.26 -4.62 115.64 111.98 1u45 s THR 604 Ca 0.14 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1u45 s THR 604 Cb -0.22 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.15 1u45 s THR 604 CO -0.05 0.00 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.62 1u45 s ILE 605 N -3.16 1.30 -0.37 5.08 1.01 -1.00 -4.72 121.20 119.33 1u45 s ILE 605 Ca 0.65 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1u45 s ILE 605 Cb -0.15 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1u45 s ILE 605 CO 0.55 0.41 0.74 -0.36 0.00 0.00 0.00 174.94 176.28 1u45 s PHE 606 N 1.59 3.11 -0.40 3.97 0.40 -1.26 -2.13 117.98 123.26 1u45 s PHE 606 Ca 0.05 0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 56.52 1u45 s PHE 606 Cb -0.13 -3.36 0.02 0.00 0.51 0.00 0.00 43.02 40.07 1u45 s PHE 606 CO -0.09 -0.74 1.11 1.21 0.70 0.00 0.00 175.22 177.41 1u45 s ASN 607 N 1.87 6.78 0.00 1.36 3.84 -0.36 -4.87 114.94 123.56 1u45 s ASN 607 Ca 0.29 0.76 0.26 0.00 0.21 0.00 0.00 52.86 54.38 1u45 s ASN 607 Cb -0.13 -2.55 0.68 0.00 -0.55 0.00 0.00 41.25 38.70 1u45 s ASN 607 CO 0.17 -1.07 1.52 1.67 -2.79 0.00 0.00 177.10 176.60 1u45 n GLN 608 N 7.37 1.16 -2.78 0.43 7.27 -1.26 -2.48 117.38 127.09 1u45 n GLN 608 Ca 0.12 -0.75 -0.17 0.00 0.07 0.00 0.00 57.00 56.26 1u45 n GLN 608 Cb 0.48 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.65 1u45 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u45 n ALA 609 N -0.27 3.64 0.01 1.69 0.00 -1.26 -4.90 120.51 119.43 1u45 n ALA 609 Ca 0.13 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1u45 n ALA 609 Cb 0.38 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1u45 n ALA 609 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u45 n LEU 610 N -0.10 0.08 -4.76 0.00 0.00 -1.26 -4.88 117.00 106.07 1u45 n LEU 610 Ca 0.22 0.05 -0.37 0.00 0.00 0.00 0.00 56.01 55.92 1u45 n LEU 610 Cb 0.69 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.13 1u45 n LEU 610 CO 0.28 -0.32 0.86 0.42 0.00 0.00 0.00 177.39 178.63 1u45 s THR 611 N -2.00 2.76 -0.90 1.96 -4.23 -1.26 -4.93 115.64 107.04 1u45 s THR 611 Ca 0.00 0.53 0.24 0.00 -1.18 0.00 0.00 61.69 61.28 1u45 s THR 611 Cb 0.00 -3.24 0.22 0.00 1.34 0.00 0.00 72.50 70.81 1u45 s THR 611 CO 0.00 -0.05 1.76 0.00 -0.54 0.00 0.00 174.62 175.79 1u45 n GLN 612 N -1.03 0.06 0.00 3.99 1.13 -1.26 -3.47 117.38 116.80 1u45 n GLN 612 Ca 0.10 0.14 0.07 0.00 -1.94 0.00 0.00 57.00 55.38 1u45 n GLN 612 Cb 0.48 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 29.19 1u45 n GLN 612 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1u45 n THR 613 N -1.71 0.00 0.00 5.09 -2.24 -1.26 -4.82 114.28 109.34 1u45 n THR 613 Ca 0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1u45 n THR 613 Cb 0.30 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1u45 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u45 n GLY 614 N 1.26 0.54 3.78 3.38 0.00 -1.23 -3.91 105.19 109.01 1u45 n GLY 614 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1u45 n GLY 614 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u45 s ARG 615 N -0.84 1.30 0.38 1.61 0.52 -1.26 -4.83 118.95 115.83 1u45 s ARG 615 Ca 0.00 0.38 0.07 0.00 -0.52 0.00 0.00 55.73 55.66 1u45 s ARG 615 Cb 0.00 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1u45 s ARG 615 CO 0.00 -2.11 0.52 -0.51 0.02 0.00 0.00 175.30 173.23 1u45 s LEU 616 N -6.00 3.82 0.20 2.53 1.43 -1.26 -4.25 118.68 115.14 1u45 s LEU 616 Ca 0.63 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1u45 s LEU 616 Cb -0.15 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1u45 s LEU 616 CO 0.54 -0.59 -0.01 -0.94 0.23 0.00 0.00 176.35 175.58 1u45 s SER 617 N -4.26 1.54 -0.01 2.29 1.04 -1.03 -4.94 113.70 108.33 1u45 s SER 617 Ca 0.50 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1u45 s SER 617 Cb -0.10 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1u45 s SER 617 CO 0.32 -0.53 -0.08 -0.55 0.98 0.00 0.00 173.24 173.39 1u45 s SER 618 N -3.24 0.95 0.07 7.02 0.15 -1.26 -1.22 113.70 116.17 1u45 s SER 618 Ca 0.26 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 1u45 s SER 618 Cb 0.06 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1u45 s SER 618 CO 0.06 0.09 0.05 0.42 1.20 0.00 0.00 173.24 175.06 1u45 s THR 619 N -0.14 0.19 -0.82 6.45 -4.23 -0.91 -4.22 115.64 111.95 1u45 s THR 619 Ca 0.02 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1u45 s THR 619 Cb -0.04 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.33 1u45 s THR 619 CO -0.00 -0.85 0.52 1.21 -0.54 0.00 0.00 174.62 174.96 1u45 n GLU 620 N 0.04 -0.88 -3.10 3.99 2.13 -1.26 -2.37 120.64 119.19 1u45 n GLU 620 Ca -0.14 0.33 -0.19 0.00 0.66 0.00 0.00 57.16 57.82 1u45 n GLU 620 Cb 0.62 -1.83 0.01 0.00 0.27 0.00 0.00 31.44 30.51 1u45 n GLU 620 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1u45 s PRO 621 N -5.57 2.92 -0.40 5.31 0.04 -1.26 -4.45 135.00 131.58 1u45 s PRO 621 Ca 0.17 -0.95 -0.27 0.00 0.04 0.00 0.00 61.00 59.99 1u45 s PRO 621 Cb -0.10 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.76 1u45 s PRO 621 CO 0.77 -0.24 0.99 1.21 0.04 0.00 0.00 177.00 179.78 1u45 s ASN 622 N -4.28 6.67 0.00 6.66 3.84 -1.26 -4.61 114.94 121.96 1u45 s ASN 622 Ca 0.51 0.53 0.20 0.00 0.21 0.00 0.00 52.86 54.31 1u45 s ASN 622 Cb -0.10 -2.49 0.56 0.00 -0.55 0.00 0.00 41.25 38.67 1u45 s ASN 622 CO 0.34 -0.98 1.46 0.18 -2.79 0.00 0.00 177.10 175.31 1u45 n LEU 623 N 7.10 3.36 -0.91 3.21 4.32 -1.26 -3.97 117.00 128.84 1u45 n LEU 623 Ca 0.09 -1.67 0.10 0.00 -0.02 0.00 0.00 56.01 54.50 1u45 n LEU 623 Cb 0.48 -0.42 0.16 0.00 -1.62 0.00 0.00 43.42 42.02 1u45 n LEU 623 CO 0.62 0.84 0.63 0.00 -1.22 0.00 0.00 177.39 178.26 1u45 n GLN 624 N 1.34 2.13 -1.95 3.23 6.02 -1.26 -4.47 117.38 122.43 1u45 n GLN 624 Ca 0.21 -1.98 -0.01 0.00 -0.01 0.00 0.00 57.00 55.20 1u45 n GLN 624 Cb 0.53 -1.41 0.06 0.00 1.02 0.00 0.00 30.24 30.44 1u45 n GLN 624 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u45 n ASN 625 N 1.17 1.89 -4.73 1.08 6.94 -1.25 -5.04 115.26 115.31 1u45 n ASN 625 Ca 0.15 -2.53 -0.41 0.00 -0.02 0.00 0.00 54.58 51.77 1u45 n ASN 625 Cb 0.52 -0.40 -0.04 0.00 -2.36 0.00 0.00 39.78 37.49 1u45 n ASN 625 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u45 s ILE 626 N -2.54 3.93 0.44 1.53 -1.09 -1.26 -4.97 121.20 117.24 1u45 s ILE 626 Ca 0.34 1.60 -0.23 0.00 -2.23 0.00 0.00 60.65 60.14 1u45 s ILE 626 Cb 0.36 -4.02 -0.11 0.00 -1.58 0.00 0.00 42.46 37.11 1u45 s ILE 626 CO -0.08 0.24 0.79 -2.65 -1.23 0.00 0.00 174.94 172.01 1u45 n PRO 627 N 2.69 0.93 0.00 2.79 -0.02 -1.26 -4.89 135.00 135.25 1u45 n PRO 627 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1u45 n PRO 627 Cb 0.46 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1u45 n PRO 627 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1u45 n ILE 628 N -0.79 0.00 -0.08 4.25 3.06 -1.26 -4.16 119.36 120.38 1u45 n ILE 628 Ca 0.11 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.34 1u45 n ILE 628 Cb 0.40 0.00 0.24 0.00 0.54 0.00 0.00 39.64 40.82 1u45 n ILE 628 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1u45 h ARG 629 N 0.00 0.71 -5.53 9.51 3.08 -1.96 -3.42 114.38 116.78 1u45 h ARG 629 Ca 0.00 -0.14 -0.66 0.00 0.07 0.00 0.00 59.98 59.25 1u45 h ARG 629 Cb 0.00 -0.11 -0.26 0.00 0.08 0.00 0.00 29.97 29.68 1u45 h ARG 629 CO 0.00 0.65 -0.76 -0.51 -1.07 0.00 0.00 179.97 178.28 1u45 s LEU 630 N -9.27 2.73 0.28 3.04 1.43 -1.26 -5.03 118.68 110.60 1u45 s LEU 630 Ca -0.09 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1u45 s LEU 630 Cb 0.16 -1.60 0.67 0.00 0.03 0.00 0.00 46.19 45.45 1u45 s LEU 630 CO 0.78 0.20 1.69 -0.08 0.23 0.00 0.00 176.35 179.18 1u45 h GLU 631 N 6.41 0.36 -0.65 1.70 4.57 -1.99 0.15 114.58 125.14 1u45 h GLU 631 Ca -0.30 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1u45 h GLU 631 Cb 1.20 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1u45 h GLU 631 CO 0.55 0.24 0.35 0.93 -1.18 0.00 0.00 179.01 179.89 1u45 h GLU 632 N 0.37 0.89 0.10 1.92 5.08 -1.96 -2.38 114.58 118.60 1u45 h GLU 632 Ca 0.53 -0.09 -0.26 0.00 -1.00 0.00 0.00 59.36 58.53 1u45 h GLU 632 Cb 0.99 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1u45 h GLU 632 CO -0.53 0.66 -1.18 0.78 -1.00 0.00 0.00 179.01 177.73 1u45 h GLY 633 N 0.96 0.33 1.00 -3.84 0.00 -1.56 -3.27 103.07 96.69 1u45 h GLY 633 Ca 0.23 -0.78 0.11 0.00 0.00 0.00 0.00 47.33 46.89 1u45 h GLY 633 CO -0.04 0.68 0.40 -0.09 0.00 0.00 0.00 176.54 177.50 1u45 h ARG 634 N 0.10 0.32 -0.27 4.80 2.43 -0.53 -0.58 114.38 120.65 1u45 h ARG 634 Ca -0.12 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1u45 h ARG 634 Cb 1.89 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1u45 h ARG 634 CO 0.19 0.21 0.33 0.87 -1.51 0.00 0.00 179.97 180.07 1u45 h LYS 635 N 0.33 0.00 -0.90 0.20 1.79 -1.52 -0.55 116.57 115.92 1u45 h LYS 635 Ca 0.28 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.90 1u45 h LYS 635 Cb 0.65 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.22 1u45 h LYS 635 CO -0.07 0.00 0.58 0.82 -1.08 0.00 0.00 179.45 179.70 1u45 h ILE 636 N 0.00 0.82 0.00 1.86 1.08 -1.31 -0.84 117.51 119.12 1u45 h ILE 636 Ca 0.13 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1u45 h ILE 636 Cb 0.80 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1u45 h ILE 636 CO -0.00 0.12 0.00 0.54 -0.69 0.00 0.00 178.15 178.12 1u45 n ARG 637 N -4.57 0.10 0.23 2.37 1.74 -0.21 -1.49 116.66 114.83 1u45 n ARG 637 Ca 0.18 0.46 0.16 0.00 -0.77 0.00 0.00 57.85 57.88 1u45 n ARG 637 Cb 0.49 -1.74 0.59 0.00 -1.02 0.00 0.00 32.46 30.79 1u45 n ARG 637 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1u45 h GLN 638 N 0.00 0.00 -0.00 5.56 4.20 -1.32 -2.46 115.11 121.09 1u45 h GLN 638 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u45 h GLN 638 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1u45 h GLN 638 CO 0.00 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.09 1u45 n ALA 639 N -2.01 2.55 -2.49 3.87 0.00 -0.55 -4.65 120.51 117.23 1u45 n ALA 639 Ca 0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1u45 n ALA 639 Cb 0.31 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 1u45 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u45 s PHE 640 N -2.85 3.24 0.33 0.00 0.08 -0.98 0.33 117.98 118.12 1u45 s PHE 640 Ca 0.18 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.86 1u45 s PHE 640 Cb 0.19 -2.54 -0.07 0.00 -0.57 0.00 0.00 43.02 40.04 1u45 s PHE 640 CO 0.53 -0.49 0.01 0.14 -0.10 0.00 0.00 175.22 175.31 1u45 s VAL 641 N 1.70 1.54 0.67 -0.44 -7.23 -0.58 -1.32 120.40 114.73 1u45 s VAL 641 Ca 0.05 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 1u45 s VAL 641 Cb -0.18 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1u45 s VAL 641 CO 0.10 -0.09 1.24 -2.84 -0.31 0.00 0.00 175.10 173.21 1u45 s PRO 642 N -3.80 2.49 0.00 4.82 0.02 -1.26 -3.68 135.00 133.60 1u45 s PRO 642 Ca 0.34 1.90 0.29 0.00 0.02 0.00 0.00 61.00 63.55 1u45 s PRO 642 Cb 0.07 -1.86 1.33 0.00 0.02 0.00 0.00 34.50 34.07 1u45 s PRO 642 CO 0.15 -1.60 1.96 -1.13 -0.33 0.00 0.00 177.00 176.05 1u45 n SER 643 N -2.13 0.00 -4.01 2.53 3.41 -1.26 -4.80 113.62 107.37 1u45 n SER 643 Ca 0.15 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 1u45 n SER 643 Cb 0.49 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1u45 n SER 643 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u45 s GLU 644 N -2.81 0.40 0.52 4.33 2.02 -1.26 -5.05 118.70 116.84 1u45 s GLU 644 Ca 0.20 -0.73 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 1u45 s GLU 644 Cb 0.19 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.41 1u45 s GLU 644 CO 0.49 -0.04 1.20 -1.54 0.02 0.00 0.00 175.26 175.39 1u45 s SER 645 N -1.70 5.69 -0.83 -0.19 1.04 -1.26 -2.80 113.70 113.65 1u45 s SER 645 Ca -0.11 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1u45 s SER 645 Cb -0.07 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1u45 s SER 645 CO -0.02 -1.25 0.00 0.47 0.98 0.00 0.00 173.24 173.42 1u45 n ASP 646 N -1.00 -4.27 -4.84 7.02 8.00 -1.26 -4.99 116.55 115.21 1u45 n ASP 646 Ca 0.10 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.58 1u45 n ASP 646 Cb 0.48 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.12 39.08 1u45 n ASP 646 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u45 s TRP 647 N -2.18 2.79 0.10 1.24 0.52 -1.12 -1.40 118.94 118.90 1u45 s TRP 647 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 55.71 1u45 s TRP 647 Cb 0.00 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1u45 s TRP 647 CO 0.00 0.10 0.04 -0.51 0.02 0.00 0.00 176.95 176.60 1u45 s LEU 648 N -4.01 1.97 -0.14 2.99 1.43 0.78 -4.76 118.68 116.93 1u45 s LEU 648 Ca 0.43 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1u45 s LEU 648 Cb -0.04 0.32 -0.05 0.00 0.03 0.00 0.00 46.19 46.46 1u45 s LEU 648 CO 0.26 -0.69 0.27 -0.63 0.23 0.00 0.00 176.35 175.79 1u45 s ILE 649 N -4.00 5.31 -0.12 -0.59 -1.09 -0.15 -1.62 121.20 118.94 1u45 s ILE 649 Ca 0.18 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.12 1u45 s ILE 649 Cb 0.07 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1u45 s ILE 649 CO -0.03 0.45 -0.17 0.12 -1.23 0.00 0.00 174.94 174.09 1u45 s PHE 650 N 0.04 2.17 -0.09 3.97 5.36 0.39 -1.35 117.98 128.46 1u45 s PHE 650 Ca 0.16 -1.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.10 1u45 s PHE 650 Cb -0.13 -1.54 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 1u45 s PHE 650 CO 0.04 -0.52 -0.16 0.00 -1.46 0.00 0.00 175.22 173.12 1u45 s ALA 651 N 0.97 1.65 -0.08 11.12 0.00 0.09 -0.04 121.76 135.48 1u45 s ALA 651 Ca -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1u45 s ALA 651 Cb -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1u45 s ALA 651 CO -0.02 0.06 -0.19 0.00 0.00 0.00 0.00 175.76 175.61 1u45 s ALA 652 N 0.74 1.78 0.04 0.00 0.00 -0.54 -1.15 121.76 122.63 1u45 s ALA 652 Ca -0.12 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1u45 s ALA 652 Cb -0.16 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1u45 s ALA 652 CO 0.02 0.25 -0.14 0.16 0.00 0.00 0.00 175.76 176.05 1u45 s ASP 653 N 0.34 1.63 0.22 0.00 1.47 0.19 -0.75 116.67 119.77 1u45 s ASP 653 Ca -0.13 -0.46 -0.30 0.00 1.18 0.00 0.00 52.55 52.84 1u45 s ASP 653 Cb -0.16 -0.10 -0.09 0.00 -0.34 0.00 0.00 42.92 42.24 1u45 s ASP 653 CO 0.06 0.02 1.10 -0.31 0.68 0.00 0.00 175.17 176.72 1u45 s TYR 654 N -0.87 3.60 -0.30 2.11 1.51 0.04 -0.71 117.35 122.73 1u45 s TYR 654 Ca 0.01 1.64 -0.19 0.00 -1.01 0.00 0.00 57.07 57.53 1u45 s TYR 654 Cb -0.08 -3.28 -0.01 0.00 -0.11 0.00 0.00 41.96 38.48 1u45 s TYR 654 CO 0.01 -0.57 0.56 0.45 -1.11 0.00 0.00 175.55 174.89 1u45 s SER 655 N -0.47 6.43 -1.42 2.29 0.15 0.80 -4.40 113.70 117.10 1u45 s SER 655 Ca 0.47 0.36 -0.03 0.00 0.70 0.00 0.00 55.95 57.46 1u45 s SER 655 Cb -0.31 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1u45 s SER 655 CO 0.37 -0.40 0.55 0.00 1.20 0.00 0.00 173.24 174.96 1u45 n GLN 656 N 5.72 -3.83 -0.24 5.44 1.13 -1.26 -4.60 117.38 119.74 1u45 n GLN 656 Ca -0.03 0.47 -0.02 0.00 -1.94 0.00 0.00 57.00 55.48 1u45 n GLN 656 Cb 0.49 -4.80 0.18 0.00 0.11 0.00 0.00 30.24 26.22 1u45 n GLN 656 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1u45 h ILE 657 N -1.83 1.22 -0.07 5.09 2.10 -1.93 -1.95 117.51 120.14 1u45 h ILE 657 Ca -0.62 -0.55 -0.00 0.00 1.08 0.00 0.00 64.86 64.77 1u45 h ILE 657 Cb 1.37 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1u45 h ILE 657 CO 0.63 0.25 0.05 -0.33 -1.08 0.00 0.00 178.15 177.66 1u45 h GLU 658 N 1.06 0.10 0.00 2.19 5.08 -1.90 0.37 114.58 121.48 1u45 h GLU 658 Ca 0.27 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1u45 h GLU 658 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1u45 h GLU 658 CO -0.04 0.10 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.56 1u45 h LEU 659 N 0.07 0.00 -0.38 1.33 3.38 -1.92 -0.90 115.31 116.90 1u45 h LEU 659 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1u45 h LEU 659 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1u45 h LEU 659 CO -0.01 0.43 -0.54 0.03 0.09 0.00 0.00 178.44 178.45 1u45 h ARG 660 N 0.00 0.77 -0.55 1.13 3.08 -1.06 -1.22 114.38 116.53 1u45 h ARG 660 Ca -0.00 -0.48 -0.10 0.00 0.07 0.00 0.00 59.98 59.47 1u45 h ARG 660 Cb 0.84 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1u45 h ARG 660 CO 0.06 1.11 -0.03 0.28 -1.07 0.00 0.00 179.97 180.31 1u45 h VAL 661 N 0.59 1.27 -0.67 2.04 2.07 -0.66 -2.12 116.25 118.76 1u45 h VAL 661 Ca 0.01 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1u45 h VAL 661 Cb 1.13 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1u45 h VAL 661 CO 0.11 0.42 0.41 0.25 0.02 0.00 0.00 177.57 178.78 1u45 h LEU 662 N 0.88 0.81 -0.56 2.57 5.85 -1.00 -0.50 115.31 123.36 1u45 h LEU 662 Ca 0.15 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1u45 h LEU 662 Cb 0.58 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1u45 h LEU 662 CO 0.03 0.63 0.35 0.00 -0.34 0.00 0.00 178.44 179.11 1u45 h ALA 663 N 1.21 0.71 0.55 1.25 0.00 -1.02 0.14 119.26 122.10 1u45 h ALA 663 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1u45 h ALA 663 Cb -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u45 h ALA 663 CO -0.05 0.09 -0.26 1.25 0.00 0.00 0.00 179.25 180.28 1u45 h HIS 664 N 0.70 -0.68 -0.53 0.00 -0.00 -0.83 0.75 115.15 114.56 1u45 h HIS 664 Ca 0.22 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1u45 h HIS 664 Cb -0.02 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1u45 h HIS 664 CO -0.05 -0.40 0.12 0.82 -0.00 0.00 0.00 177.93 178.42 1u45 h ILE 665 N -0.78 1.24 0.00 6.26 2.04 -1.00 -2.96 117.51 122.32 1u45 h ILE 665 Ca -0.07 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1u45 h ILE 665 Cb 0.58 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1u45 h ILE 665 CO 0.12 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.59 1u45 h ALA 666 N 1.00 1.00 -6.23 1.87 0.00 -1.02 -3.47 119.26 112.41 1u45 h ALA 666 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.62 1u45 h ALA 666 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u45 h ALA 666 CO 0.00 0.00 -0.79 0.39 0.00 0.00 0.00 179.25 178.85 1u45 n GLU 667 N -2.97 -5.22 -2.73 0.00 1.02 0.25 -4.65 120.64 106.34 1u45 n GLU 667 Ca 0.04 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 1u45 n GLU 667 Cb 0.50 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.56 1u45 n GLU 667 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u45 s ASP 668 N -3.74 7.01 0.17 1.62 -1.08 -1.20 -4.88 116.67 114.57 1u45 s ASP 668 Ca 0.39 1.27 -0.15 0.00 -0.52 0.00 0.00 52.55 53.55 1u45 s ASP 668 Cb -0.20 -2.51 0.10 0.00 -1.46 0.00 0.00 42.92 38.86 1u45 s ASP 668 CO 0.83 -0.62 1.76 0.44 0.52 0.00 0.00 175.17 178.09 1u45 h ASP 669 N 7.52 0.19 -0.42 -0.34 3.32 -1.92 -0.17 116.42 124.60 1u45 h ASP 669 Ca -0.20 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1u45 h ASP 669 Cb 1.07 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1u45 h ASP 669 CO 0.95 0.15 0.18 -1.13 -1.72 0.00 0.00 179.24 177.66 1u45 h ASN 670 N 0.34 0.57 -0.21 6.45 -1.24 -1.92 -1.37 115.58 118.19 1u45 h ASN 670 Ca 0.19 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 1u45 h ASN 670 Cb 0.16 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1u45 h ASN 670 CO -0.18 0.57 -0.33 0.25 -1.29 0.00 0.00 177.43 176.44 1u45 h LEU 671 N 0.54 0.76 -0.53 0.34 5.85 -1.85 -1.71 115.31 118.71 1u45 h LEU 671 Ca 0.14 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1u45 h LEU 671 Cb 0.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1u45 h LEU 671 CO -0.01 1.03 -0.21 0.24 -0.34 0.00 0.00 178.44 179.15 1u45 h MET 672 N 0.61 0.97 -0.67 1.25 2.86 -0.90 -2.74 114.93 116.32 1u45 h MET 672 Ca 0.06 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.22 1u45 h MET 672 Cb 0.86 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1u45 h MET 672 CO 0.08 1.08 0.09 1.49 1.06 0.00 0.00 176.91 180.71 1u45 h GLU 673 N 0.84 1.11 -0.46 1.72 4.57 -1.14 -0.45 114.58 120.77 1u45 h GLU 673 Ca 0.11 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1u45 h GLU 673 Cb 0.78 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 1u45 h GLU 673 CO 0.06 1.02 0.18 0.00 -1.18 0.00 0.00 179.01 179.10 1u45 h ALA 674 N 1.05 0.56 0.00 2.92 0.00 -1.14 -0.81 119.26 121.84 1u45 h ALA 674 Ca 0.20 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1u45 h ALA 674 Cb 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1u45 h ALA 674 CO 0.02 -0.21 -0.59 0.74 0.00 0.00 0.00 179.25 179.21 1u45 h PHE 675 N 0.36 0.00 0.00 0.00 0.05 -1.25 -1.35 116.94 114.75 1u45 h PHE 675 Ca 0.21 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.95 1u45 h PHE 675 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 1u45 h PHE 675 CO -0.15 0.59 -0.28 0.00 -0.18 0.00 0.00 178.31 178.30 1u45 h ARG 676 N 0.00 0.00 -0.03 1.51 3.08 -0.39 -0.71 114.38 117.85 1u45 h ARG 676 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1u45 h ARG 676 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1u45 h ARG 676 CO 0.08 0.28 0.00 0.54 -1.07 0.00 0.00 179.97 179.80 1u45 n ARG 677 N -3.73 1.87 -4.00 0.04 1.74 -0.37 -4.95 116.66 107.25 1u45 n ARG 677 Ca -0.01 -1.26 -0.30 0.00 -0.77 0.00 0.00 57.85 55.51 1u45 n ARG 677 Cb 0.38 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1u45 n ARG 677 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u45 n ASP 678 N 0.54 -2.58 -4.83 0.55 2.03 -0.27 -4.94 116.55 107.04 1u45 n ASP 678 Ca 0.17 -0.92 -0.31 0.00 0.52 0.00 0.00 54.79 54.25 1u45 n ASP 678 Cb 0.43 -3.31 0.05 0.00 -0.72 0.00 0.00 41.12 37.57 1u45 n ASP 678 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1u45 s LEU 679 N -7.11 3.07 -0.45 -2.67 1.43 -0.57 -4.94 118.68 107.43 1u45 s LEU 679 Ca 0.41 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.77 1u45 s LEU 679 Cb -0.22 -4.40 -0.00 0.00 0.03 0.00 0.00 46.19 41.60 1u45 s LEU 679 CO 0.88 -1.43 1.62 -0.62 0.23 0.00 0.00 176.35 177.02 1u45 s ASP 680 N -3.88 5.96 0.35 2.29 3.68 -1.26 -4.86 116.67 118.96 1u45 s ASP 680 Ca 0.58 0.79 0.04 0.00 2.13 0.00 0.00 52.55 56.09 1u45 s ASP 680 Cb -0.14 -2.53 0.69 0.00 -1.45 0.00 0.00 42.92 39.49 1u45 s ASP 680 CO 0.55 -1.74 1.97 -0.29 0.13 0.00 0.00 175.17 175.78 1u45 h ILE 681 N 6.63 1.07 -0.10 4.11 6.09 -1.94 -1.12 117.51 132.25 1u45 h ILE 681 Ca -0.29 -0.28 -0.19 0.00 -1.37 0.00 0.00 64.86 62.73 1u45 h ILE 681 Cb 1.13 0.18 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 1u45 h ILE 681 CO 1.11 0.15 -0.71 0.45 -3.07 0.00 0.00 178.15 176.08 1u45 h HIS 682 N 0.82 0.64 -0.41 2.19 3.86 -1.93 -0.55 115.15 119.76 1u45 h HIS 682 Ca 0.29 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1u45 h HIS 682 Cb 0.14 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1u45 h HIS 682 CO -0.00 1.04 -0.19 1.15 0.86 0.00 0.00 177.93 180.78 1u45 h THR 683 N 0.33 1.28 -0.61 2.45 2.02 -1.81 -1.77 112.91 114.79 1u45 h THR 683 Ca -0.03 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1u45 h THR 683 Cb 1.29 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 1u45 h THR 683 CO 0.13 0.45 0.36 0.50 0.37 0.00 0.00 175.52 177.33 1u45 h LYS 684 N 0.67 0.84 -0.84 6.66 1.63 -1.09 -0.98 116.57 123.46 1u45 h LYS 684 Ca 0.09 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1u45 h LYS 684 Cb 0.75 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 1u45 h LYS 684 CO 0.06 0.61 0.40 1.15 -3.45 0.00 0.00 179.45 178.22 1u45 h THR 685 N 0.83 1.26 -0.36 1.00 2.02 -0.95 -1.99 112.91 114.72 1u45 h THR 685 Ca 0.22 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1u45 h THR 685 Cb -0.01 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1u45 h THR 685 CO -0.04 0.31 0.12 0.00 0.37 0.00 0.00 175.52 176.28 1u45 h ALA 686 N 1.21 0.47 -0.70 6.16 0.00 -0.86 -0.74 119.26 124.80 1u45 h ALA 686 Ca 0.29 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1u45 h ALA 686 Cb 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1u45 h ALA 686 CO -0.04 0.10 0.35 0.52 0.00 0.00 0.00 179.25 180.19 1u45 h MET 687 N 0.43 0.58 0.20 0.00 2.07 -0.88 -0.18 114.93 117.15 1u45 h MET 687 Ca 0.12 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1u45 h MET 687 Cb 0.24 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1u45 h MET 687 CO -0.00 0.39 -0.10 -0.44 1.07 0.00 0.00 176.91 177.83 1u45 h ASP 688 N 0.60 -0.23 0.74 1.22 3.45 -1.08 -1.24 116.42 119.89 1u45 h ASP 688 Ca 0.34 -0.30 -0.09 0.00 0.43 0.00 0.00 57.03 57.41 1u45 h ASP 688 Cb 0.35 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1u45 h ASP 688 CO -0.26 0.26 -0.41 0.16 -1.57 0.00 0.00 179.24 177.41 1u45 h ILE 689 N -0.79 1.02 -0.31 0.35 3.07 -1.09 -3.03 117.51 116.73 1u45 h ILE 689 Ca -0.03 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 64.80 1u45 h ILE 689 Cb 0.51 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1u45 h ILE 689 CO 0.04 0.41 0.00 0.49 -1.05 0.00 0.00 178.15 178.04 1u45 n PHE 690 N -3.64 0.39 -3.76 0.16 3.72 -0.08 -4.91 117.46 109.33 1u45 n PHE 690 Ca -0.01 -0.23 -0.31 0.00 -0.05 0.00 0.00 57.45 56.85 1u45 n PHE 690 Cb 0.51 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1u45 n PHE 690 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1u45 n GLN 691 N 1.26 -1.62 -4.18 -1.08 6.02 -0.58 -5.00 117.38 112.20 1u45 n GLN 691 Ca 0.16 0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 57.47 1u45 n GLN 691 Cb 0.54 -4.10 -0.10 0.00 1.02 0.00 0.00 30.24 27.61 1u45 n GLN 691 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1u45 s VAL 692 N -3.57 0.59 0.81 5.09 -7.23 -0.57 -5.04 120.40 110.48 1u45 s VAL 692 Ca 0.38 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 1u45 s VAL 692 Cb -0.14 -1.79 0.08 0.00 0.56 0.00 0.00 36.38 35.08 1u45 s VAL 692 CO 0.87 -0.77 1.13 -0.94 -0.31 0.00 0.00 175.10 175.08 1u45 s SER 693 N -3.06 4.47 0.25 4.85 1.04 -1.26 -4.50 113.70 115.49 1u45 s SER 693 Ca 0.15 1.06 -0.03 0.00 0.48 0.00 0.00 55.95 57.61 1u45 s SER 693 Cb 0.06 -1.71 0.40 0.00 0.10 0.00 0.00 66.02 64.87 1u45 s SER 693 CO -0.03 -1.96 1.84 -0.08 0.98 0.00 0.00 173.24 173.99 1u45 h GLU 694 N -1.08 0.91 0.00 4.02 4.81 -1.96 -1.00 114.58 120.28 1u45 h GLU 694 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1u45 h GLU 694 Cb 1.29 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1u45 h GLU 694 CO 0.63 0.60 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.93 1u45 h ASP 695 N 0.94 0.00 -0.03 1.04 3.45 -2.01 -2.61 116.42 117.20 1u45 h ASP 695 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 1u45 h ASP 695 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1u45 h ASP 695 CO -0.21 0.14 0.00 -0.62 -1.57 0.00 0.00 179.24 176.97 1u45 n GLU 696 N -3.94 1.57 -2.60 3.56 1.02 -0.39 -4.83 120.64 115.03 1u45 n GLU 696 Ca -0.02 -0.83 -0.43 0.00 -0.02 0.00 0.00 57.16 55.86 1u45 n GLU 696 Cb 0.23 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 1u45 n GLU 696 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u45 s VAL 697 N -1.98 4.49 0.52 2.62 1.01 -0.99 -4.89 120.40 121.18 1u45 s VAL 697 Ca 0.39 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 64.09 1u45 s VAL 697 Cb 0.21 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1u45 s VAL 697 CO 0.33 -0.37 0.78 0.42 0.00 0.00 0.00 175.10 176.27 1u45 s THR 698 N 3.60 3.79 0.24 3.92 -4.23 -1.26 -4.93 115.64 116.77 1u45 s THR 698 Ca 0.47 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 1u45 s THR 698 Cb -0.14 -3.45 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1u45 s THR 698 CO 0.14 -0.39 1.80 -0.65 -0.54 0.00 0.00 174.62 174.98 1u45 h PRO 699 N 0.11 0.72 -0.47 3.99 0.11 -2.00 -1.60 132.00 132.86 1u45 h PRO 699 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1u45 h PRO 699 Cb 1.26 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1u45 h PRO 699 CO 0.59 0.48 0.03 -0.97 -0.21 0.00 0.00 178.00 177.91 1u45 h ASN 700 N 0.74 0.72 -0.43 -2.05 -1.24 -1.99 -1.52 115.58 109.81 1u45 h ASN 700 Ca 0.38 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.19 1u45 h ASN 700 Cb 0.35 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1u45 h ASN 700 CO -0.25 0.77 0.11 0.24 -1.29 0.00 0.00 177.43 177.02 1u45 h MET 701 N 0.72 0.68 -0.64 6.67 2.86 -1.70 -1.68 114.93 121.83 1u45 h MET 701 Ca 0.15 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1u45 h MET 701 Cb 0.39 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1u45 h MET 701 CO 0.01 0.68 0.21 -0.09 1.06 0.00 0.00 176.91 178.78 1u45 h ARG 702 N 0.55 0.99 -0.30 1.72 2.43 -1.09 -0.75 114.38 117.94 1u45 h ARG 702 Ca 0.14 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1u45 h ARG 702 Cb 0.30 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1u45 h ARG 702 CO -0.00 0.87 0.11 -0.09 -1.51 0.00 0.00 179.97 179.34 1u45 h ARG 703 N 0.92 0.23 -0.30 0.20 2.43 -1.07 0.93 114.38 117.73 1u45 h ARG 703 Ca 0.21 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1u45 h ARG 703 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1u45 h ARG 703 CO -0.01 0.15 -0.34 1.96 -1.51 0.00 0.00 179.97 180.23 1u45 h GLN 704 N 0.24 0.66 -0.38 0.20 4.20 -1.11 -1.96 115.11 116.96 1u45 h GLN 704 Ca 0.13 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1u45 h GLN 704 Cb 0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1u45 h GLN 704 CO -0.13 0.91 -0.06 0.00 -0.67 0.00 0.00 178.83 178.87 1u45 h ALA 705 N 1.07 1.19 -0.47 3.87 0.00 -0.74 -0.84 119.26 123.34 1u45 h ALA 705 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1u45 h ALA 705 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1u45 h ALA 705 CO 0.07 0.53 0.17 -0.22 0.00 0.00 0.00 179.25 179.80 1u45 h LYS 706 N 0.59 0.71 -0.61 0.00 3.64 -0.51 -0.89 116.57 119.49 1u45 h LYS 706 Ca 0.11 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1u45 h LYS 706 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1u45 h LYS 706 CO 0.02 0.65 0.23 0.00 -2.27 0.00 0.00 179.45 178.09 1u45 h ALA 707 N 1.02 1.26 -0.55 5.00 0.00 -0.87 -1.71 119.26 123.40 1u45 h ALA 707 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1u45 h ALA 707 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1u45 h ALA 707 CO -0.01 0.54 0.26 0.28 0.00 0.00 0.00 179.25 180.33 1u45 h VAL 708 N 0.88 1.20 -0.72 0.00 2.07 -0.64 -1.33 116.25 117.71 1u45 h VAL 708 Ca 0.21 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1u45 h VAL 708 Cb 0.19 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1u45 h VAL 708 CO -0.02 0.23 0.36 0.78 0.02 0.00 0.00 177.57 178.95 1u45 h ASN 709 N 0.75 0.92 -0.47 0.57 2.35 -0.44 -0.01 115.58 119.25 1u45 h ASN 709 Ca 0.19 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1u45 h ASN 709 Cb 0.12 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1u45 h ASN 709 CO -0.02 0.77 0.17 -0.26 -1.65 0.00 0.00 177.43 176.43 1u45 h PHE 710 N 1.02 0.73 -0.55 1.19 0.04 -0.97 -1.71 116.94 116.68 1u45 h PHE 710 Ca 0.25 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 61.00 1u45 h PHE 710 Cb 0.08 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1u45 h PHE 710 CO 0.01 0.64 0.31 0.78 -0.60 0.00 0.00 178.31 179.44 1u45 h GLY 711 N 0.62 0.79 0.84 -1.45 0.00 -0.47 -0.04 103.07 103.35 1u45 h GLY 711 Ca 0.15 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1u45 h GLY 711 CO -0.01 0.16 0.30 -2.22 0.00 0.00 0.00 176.54 174.76 1u45 h ILE 712 N 0.59 1.03 -0.21 2.60 1.08 -0.71 0.94 117.51 122.83 1u45 h ILE 712 Ca 0.24 -0.20 -0.13 0.00 -0.39 0.00 0.00 64.86 64.37 1u45 h ILE 712 Cb 0.10 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1u45 h ILE 712 CO -0.14 0.11 -0.43 0.58 -0.69 0.00 0.00 178.15 177.58 1u45 h VAL 713 N 0.58 1.31 0.00 1.67 2.07 -0.87 -3.16 116.25 117.86 1u45 h VAL 713 Ca 0.21 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1u45 h VAL 713 Cb 0.05 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1u45 h VAL 713 CO -0.11 0.50 -0.01 -1.22 0.02 0.00 0.00 177.57 176.75 1u45 n TYR 714 N -4.01 0.65 0.00 1.57 0.53 -0.07 -4.16 117.16 111.66 1u45 n TYR 714 Ca -0.02 0.19 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 1u45 n TYR 714 Cb 0.53 -0.81 0.00 0.00 -1.03 0.00 0.00 39.34 38.03 1u45 n TYR 714 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u45 n GLY 715 N 1.37 0.62 3.58 2.72 0.00 -0.38 -4.63 105.19 108.47 1u45 n GLY 715 Ca 0.06 -0.65 -0.48 0.00 0.00 0.00 0.00 46.02 44.95 1u45 n GLY 715 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u45 n ILE 716 N 0.00 1.12 -3.70 -0.61 0.13 0.19 -4.86 119.36 111.62 1u45 n ILE 716 Ca 0.00 -0.28 -0.11 0.00 -1.10 0.00 0.00 62.75 61.26 1u45 n ILE 716 Cb 0.00 -0.90 -0.10 0.00 -0.84 0.00 0.00 39.64 37.80 1u45 n ILE 716 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1u45 s SER 717 N -0.11 -0.52 0.12 9.51 1.04 -1.26 -5.03 113.70 117.45 1u45 s SER 717 Ca 0.70 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 1u45 s SER 717 Cb -0.81 0.86 -0.10 0.00 0.10 0.00 0.00 66.02 66.07 1u45 s SER 717 CO 0.54 -0.18 1.50 0.44 0.98 0.00 0.00 173.24 176.52 1u45 h ASP 718 N 6.46 -1.72 -0.46 7.02 3.45 -1.91 -1.35 116.42 127.90 1u45 h ASP 718 Ca -0.33 0.23 0.08 0.00 0.43 0.00 0.00 57.03 57.44 1u45 h ASP 718 Cb 1.18 0.71 -0.07 0.00 -0.56 0.00 0.00 39.33 40.59 1u45 h ASP 718 CO 0.26 -0.37 0.06 0.22 -1.57 0.00 0.00 179.24 177.85 1u45 h TYR 719 N -0.36 0.10 -0.04 4.55 3.20 -1.96 -0.04 116.97 122.43 1u45 h TYR 719 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1u45 h TYR 719 Cb 0.54 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1u45 h TYR 719 CO -0.73 -0.03 0.02 0.78 -1.64 0.00 0.00 178.16 176.57 1u45 h GLY 720 N 0.19 0.05 0.94 1.82 0.00 -1.84 -0.70 103.07 103.53 1u45 h GLY 720 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1u45 h GLY 720 CO -0.32 0.02 0.13 -2.00 0.00 0.00 0.00 176.54 174.37 1u45 h LEU 721 N 0.03 0.61 -0.77 3.11 5.85 -1.09 -2.00 115.31 121.04 1u45 h LEU 721 Ca 0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1u45 h LEU 721 Cb 0.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1u45 h LEU 721 CO -0.00 0.65 0.46 0.00 -0.34 0.00 0.00 178.44 179.21 1u45 h ALA 722 N 0.98 1.06 -0.58 1.25 0.00 -0.86 0.04 119.26 121.15 1u45 h ALA 722 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u45 h ALA 722 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u45 h ALA 722 CO -0.00 0.18 0.13 0.37 0.00 0.00 0.00 179.25 179.92 1u45 h GLN 723 N 0.85 0.94 -0.29 0.00 5.75 -0.88 0.41 115.11 121.89 1u45 h GLN 723 Ca 0.34 -0.23 -0.15 0.00 -0.15 0.00 0.00 58.65 58.46 1u45 h GLN 723 Cb 0.18 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1u45 h GLN 723 CO -0.18 0.87 -0.43 -0.97 -2.65 0.00 0.00 178.83 175.48 1u45 h ASN 724 N 0.84 0.79 0.04 -0.69 -0.73 -0.72 -3.11 115.58 112.00 1u45 h ASN 724 Ca 0.18 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1u45 h ASN 724 Cb 0.37 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1u45 h ASN 724 CO 0.00 1.11 -0.15 0.18 -0.37 0.00 0.00 177.43 178.20 1u45 n LEU 725 N -4.03 1.85 -3.54 0.34 4.77 -0.06 -4.98 117.00 111.36 1u45 n LEU 725 Ca -0.02 -0.61 -0.25 0.00 -0.03 0.00 0.00 56.01 55.10 1u45 n LEU 725 Cb 0.55 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1u45 n LEU 725 CO 0.47 0.32 -0.04 0.59 -1.33 0.00 0.00 177.39 177.41 1u45 n ASN 726 N 0.22 -5.24 -3.97 -1.43 3.02 0.13 -5.01 115.26 102.98 1u45 n ASN 726 Ca 0.14 -0.89 -0.16 0.00 -0.03 0.00 0.00 54.58 53.64 1u45 n ASN 726 Cb 0.43 -4.09 -0.09 0.00 -0.61 0.00 0.00 39.78 35.42 1u45 n ASN 726 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1u45 s ILE 727 N -3.47 0.15 0.83 2.41 -4.36 -0.45 -5.04 121.20 111.27 1u45 s ILE 727 Ca 0.41 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 1u45 s ILE 727 Cb -0.11 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.17 1u45 s ILE 727 CO 0.81 0.00 1.09 -0.94 0.24 0.00 0.00 174.94 176.14 1u45 s SER 728 N -3.28 4.06 0.18 4.36 1.04 -1.26 -4.54 113.70 114.26 1u45 s SER 728 Ca 0.38 1.52 -0.09 0.00 0.48 0.00 0.00 55.95 58.25 1u45 s SER 728 Cb 0.05 -2.23 0.07 0.00 0.10 0.00 0.00 66.02 64.01 1u45 s SER 728 CO 0.17 -2.27 1.61 -0.09 0.98 0.00 0.00 173.24 173.65 1u45 h ARG 729 N -1.29 1.03 -0.43 4.02 2.43 -1.94 -1.79 114.38 116.41 1u45 h ARG 729 Ca -0.47 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.32 1u45 h ARG 729 Cb 1.26 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1u45 h ARG 729 CO 0.55 1.06 0.24 0.87 -1.51 0.00 0.00 179.97 181.17 1u45 h LYS 730 N 0.92 0.59 -0.62 0.20 6.56 -1.94 0.15 116.57 122.43 1u45 h LYS 730 Ca 0.15 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 1u45 h LYS 730 Cb 0.65 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 1u45 h LYS 730 CO 0.04 0.47 0.27 0.93 -2.06 0.00 0.00 179.45 179.10 1u45 h GLU 731 N 0.55 0.92 -0.72 3.15 5.08 -1.90 -0.49 114.58 121.17 1u45 h GLU 731 Ca 0.15 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1u45 h GLU 731 Cb 0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1u45 h GLU 731 CO -0.02 0.77 0.26 0.00 -1.00 0.00 0.00 179.01 179.01 1u45 h ALA 732 N 1.11 1.10 -0.48 3.43 0.00 -0.91 -1.84 119.26 121.66 1u45 h ALA 732 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1u45 h ALA 732 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1u45 h ALA 732 CO -0.02 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.96 1u45 h ALA 733 N 1.22 1.27 -0.45 0.00 0.00 -0.14 -1.68 119.26 119.48 1u45 h ALA 733 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1u45 h ALA 733 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1u45 h ALA 733 CO -0.01 0.51 0.12 0.93 0.00 0.00 0.00 179.25 180.80 1u45 h GLU 734 N 0.71 0.71 -0.45 0.00 5.08 -0.38 -0.61 114.58 119.64 1u45 h GLU 734 Ca 0.16 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1u45 h GLU 734 Cb 0.30 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1u45 h GLU 734 CO 0.00 0.69 0.27 0.74 -1.00 0.00 0.00 179.01 179.72 1u45 h PHE 735 N 0.59 0.51 -0.54 4.33 0.05 -0.88 -1.16 116.94 119.85 1u45 h PHE 735 Ca 0.14 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.94 1u45 h PHE 735 Cb 0.29 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.05 1u45 h PHE 735 CO 0.02 0.30 0.29 0.82 -0.18 0.00 0.00 178.31 179.56 1u45 h ILE 736 N 0.55 1.18 -0.69 -0.55 2.04 -1.06 0.35 117.51 119.32 1u45 h ILE 736 Ca 0.17 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1u45 h ILE 736 Cb -0.01 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1u45 h ILE 736 CO -0.07 0.20 0.36 -0.08 0.00 0.00 0.00 178.15 178.56 1u45 h GLU 737 N 0.72 0.98 -0.71 2.37 4.81 -0.81 -0.92 114.58 121.01 1u45 h GLU 737 Ca 0.19 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1u45 h GLU 737 Cb 0.05 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1u45 h GLU 737 CO -0.03 0.75 0.34 0.00 -0.73 0.00 0.00 179.01 179.33 1u45 h ARG 738 N 0.95 1.03 0.12 1.92 2.47 -0.75 -1.62 114.38 118.51 1u45 h ARG 738 Ca 0.24 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1u45 h ARG 738 Cb 0.07 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1u45 h ARG 738 CO -0.04 0.82 -0.06 -0.92 0.56 0.00 0.00 179.97 180.33 1u45 h TYR 739 N 1.00 -0.16 0.00 3.04 3.20 -0.31 -2.27 116.97 121.47 1u45 h TYR 739 Ca 0.24 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1u45 h TYR 739 Cb 0.13 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1u45 h TYR 739 CO 0.01 -0.10 -0.08 0.74 -1.64 0.00 0.00 178.16 177.09 1u45 h PHE 740 N -0.17 0.00 -0.29 -3.82 0.04 -0.99 0.11 116.94 111.83 1u45 h PHE 740 Ca -0.02 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 1u45 h PHE 740 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1u45 h PHE 740 CO -0.07 0.08 -0.36 0.93 -0.60 0.00 0.00 178.31 178.29 1u45 h GLU 741 N 0.00 0.64 0.00 1.51 5.08 -0.84 -2.47 114.58 118.50 1u45 h GLU 741 Ca -0.00 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 1u45 h GLU 741 Cb 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1u45 h GLU 741 CO 0.01 0.91 -0.90 0.77 -1.00 0.00 0.00 179.01 178.80 1u45 h SER 742 N 0.54 0.00 -2.13 1.42 0.02 -0.70 -3.38 113.55 109.31 1u45 h SER 742 Ca 0.05 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.43 1u45 h SER 742 Cb 0.87 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.00 1u45 h SER 742 CO 0.08 0.66 -0.81 0.49 -1.14 0.00 0.00 176.83 176.11 1u45 n PHE 743 N -3.16 2.24 0.11 3.45 3.01 0.29 -4.79 117.46 118.61 1u45 n PHE 743 Ca -0.02 -3.93 0.16 0.00 1.01 0.00 0.00 57.45 54.67 1u45 n PHE 743 Cb 0.82 -0.48 0.71 0.00 -0.01 0.00 0.00 39.48 40.53 1u45 n PHE 743 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u45 h PRO 744 N 3.82 0.00 -0.51 -1.08 0.13 -1.64 -1.40 132.00 131.33 1u45 h PRO 744 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 1u45 h PRO 744 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1u45 h PRO 744 CO 0.70 0.00 -0.14 0.78 -0.23 0.00 0.00 178.00 179.11 1u45 h GLY 745 N 0.00 1.04 1.12 1.56 0.00 -1.87 -1.12 103.07 103.79 1u45 h GLY 745 Ca 0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1u45 h GLY 745 CO -0.00 0.78 0.07 -2.08 0.00 0.00 0.00 176.54 175.31 1u45 h VAL 746 N 0.85 1.26 -0.37 4.60 2.07 -1.53 -0.83 116.25 122.30 1u45 h VAL 746 Ca 0.13 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1u45 h VAL 746 Cb 0.69 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1u45 h VAL 746 CO 0.05 0.40 0.19 0.50 0.02 0.00 0.00 177.57 178.73 1u45 h LYS 747 N 1.00 0.53 -0.38 1.57 3.64 -1.24 -1.40 116.57 120.29 1u45 h LYS 747 Ca 0.19 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1u45 h LYS 747 Cb 0.47 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1u45 h LYS 747 CO 0.02 0.46 0.11 -0.09 -2.27 0.00 0.00 179.45 177.67 1u45 h ARG 748 N 0.47 0.24 -0.24 1.90 2.43 -0.87 -1.83 114.38 116.48 1u45 h ARG 748 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1u45 h ARG 748 Cb 0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1u45 h ARG 748 CO -0.02 0.16 0.15 -0.92 -1.51 0.00 0.00 179.97 177.83 1u45 h TYR 749 N 0.25 0.30 -0.98 2.20 3.20 -0.85 0.83 116.97 121.92 1u45 h TYR 749 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1u45 h TYR 749 Cb 0.18 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1u45 h TYR 749 CO -0.17 0.21 0.65 0.52 -1.64 0.00 0.00 178.16 177.73 1u45 h MET 750 N 0.31 1.26 -0.08 1.82 2.86 -1.00 0.43 114.93 120.53 1u45 h MET 750 Ca 0.09 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1u45 h MET 750 Cb -0.01 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.36 1u45 h MET 750 CO -0.02 0.84 -0.03 0.93 1.06 0.00 0.00 176.91 179.69 1u45 h GLU 751 N 1.30 0.17 -0.57 1.72 5.08 -1.06 -3.02 114.58 118.21 1u45 h GLU 751 Ca 0.37 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1u45 h GLU 751 Cb -0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1u45 h GLU 751 CO -0.09 0.52 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.47 1u45 h ASN 752 N -0.18 1.04 -0.25 1.42 2.35 -0.41 -2.57 115.58 116.98 1u45 h ASN 752 Ca 0.02 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 1u45 h ASN 752 Cb 0.46 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1u45 h ASN 752 CO 0.01 1.12 -0.06 -0.29 -1.65 0.00 0.00 177.43 176.56 1u45 h ILE 753 N 0.94 1.23 -0.40 2.81 6.09 -0.22 0.20 117.51 128.16 1u45 h ILE 753 Ca 0.16 -0.97 -0.13 0.00 -1.37 0.00 0.00 64.86 62.55 1u45 h ILE 753 Cb 0.62 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.91 1u45 h ILE 753 CO 0.04 0.33 -0.25 0.58 -3.07 0.00 0.00 178.15 175.78 1u45 h VAL 754 N 0.57 1.28 -0.54 2.19 2.07 -1.45 -0.39 116.25 119.98 1u45 h VAL 754 Ca 0.11 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1u45 h VAL 754 Cb 0.45 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1u45 h VAL 754 CO 0.02 0.47 0.04 -0.61 0.02 0.00 0.00 177.57 177.52 1u45 h GLN 755 N 0.69 0.93 -0.75 1.57 5.75 -1.03 -2.10 115.11 120.17 1u45 h GLN 755 Ca 0.08 -0.27 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1u45 h GLN 755 Cb 0.82 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 1u45 h GLN 755 CO 0.07 0.92 0.26 1.49 -2.65 0.00 0.00 178.83 178.92 1u45 h GLU 756 N 0.81 1.14 -0.86 1.69 4.81 -0.45 -0.93 114.58 120.79 1u45 h GLU 756 Ca 0.16 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1u45 h GLU 756 Cb 0.47 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1u45 h GLU 756 CO 0.02 0.95 0.51 0.00 -0.73 0.00 0.00 179.01 179.76 1u45 h ALA 757 N 1.13 1.28 -0.24 2.92 0.00 -0.79 0.63 119.26 124.19 1u45 h ALA 757 Ca 0.25 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1u45 h ALA 757 Cb 0.27 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u45 h ALA 757 CO -0.01 0.61 -0.56 -0.22 0.00 0.00 0.00 179.25 179.06 1u45 h LYS 758 N 1.19 0.75 0.09 0.00 3.64 -0.98 0.15 116.57 121.41 1u45 h LYS 758 Ca 0.31 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1u45 h LYS 758 Cb -0.03 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1u45 h LYS 758 CO -0.06 1.11 -0.04 0.37 -2.27 0.00 0.00 179.45 178.56 1u45 h GLN 759 N 0.57 -0.12 0.01 1.90 -0.00 -0.70 -3.35 115.11 113.42 1u45 h GLN 759 Ca 0.01 0.01 -0.24 0.00 -0.00 0.00 0.00 58.65 58.43 1u45 h GLN 759 Cb 1.15 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.62 1u45 h GLN 759 CO 0.12 0.36 -1.24 0.87 0.00 0.00 0.00 178.83 178.94 1u45 h LYS 760 N -0.68 0.01 0.00 1.69 1.57 -1.00 -3.48 116.57 114.68 1u45 h LYS 760 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u45 h LYS 760 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1u45 h LYS 760 CO 0.02 0.85 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1u45 n GLY 761 N 1.43 0.65 3.77 3.86 0.00 0.51 -5.04 105.19 110.38 1u45 n GLY 761 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1u45 n GLY 761 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u45 s TYR 762 N -2.28 -0.23 0.22 1.61 -0.85 -1.19 -1.78 117.35 112.84 1u45 s TYR 762 Ca 0.00 -0.16 0.10 0.00 -0.52 0.00 0.00 57.07 56.48 1u45 s TYR 762 Cb 0.00 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 1u45 s TYR 762 CO 0.00 -1.09 -0.18 0.14 -1.52 0.00 0.00 175.55 172.90 1u45 s VAL 763 N -3.75 2.06 0.23 -3.49 -7.23 -0.72 -4.30 120.40 103.20 1u45 s VAL 763 Ca 0.10 -2.19 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1u45 s VAL 763 Cb -0.04 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1u45 s VAL 763 CO 0.03 -0.42 -0.07 0.42 -0.31 0.00 0.00 175.10 174.75 1u45 s THR 764 N -2.49 1.43 0.52 5.32 -4.23 -1.26 -1.80 115.64 113.13 1u45 s THR 764 Ca 0.23 -2.11 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 1u45 s THR 764 Cb -0.04 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.59 1u45 s THR 764 CO 0.10 -0.43 0.50 0.42 -0.54 0.00 0.00 174.62 174.66 1u45 s THR 765 N -3.16 2.06 0.25 3.99 -4.23 -0.40 -4.50 115.64 109.65 1u45 s THR 765 Ca 0.26 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1u45 s THR 765 Cb 0.03 -2.38 0.23 0.00 1.34 0.00 0.00 72.50 71.72 1u45 s THR 765 CO 0.08 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.12 1u45 h LEU 766 N 0.68 0.18 -3.20 4.79 5.85 -1.88 -1.02 115.31 120.70 1u45 h LEU 766 Ca -0.36 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 1u45 h LEU 766 Cb 1.29 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 1u45 h LEU 766 CO 0.53 0.03 0.13 0.18 -0.34 0.00 0.00 178.44 178.97 1u45 n LEU 767 N -5.07 5.13 -0.45 2.25 4.77 -1.26 -4.92 117.00 117.45 1u45 n LEU 767 Ca 0.15 -2.64 -0.05 0.00 -0.03 0.00 0.00 56.01 53.44 1u45 n LEU 767 Cb 0.46 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1u45 n LEU 767 CO 0.15 0.65 -0.05 1.41 -1.33 0.00 0.00 177.39 178.22 1u45 n HIS 768 N 0.18 -0.05 -2.35 -1.77 8.25 -0.39 -4.71 115.22 114.38 1u45 n HIS 768 Ca 0.29 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 1u45 n HIS 768 Cb 1.13 -1.36 -0.01 0.00 1.12 0.00 0.00 29.99 30.86 1u45 n HIS 768 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u45 s ARG 769 N -2.84 3.56 0.11 -0.41 3.52 -1.26 -4.75 118.95 116.87 1u45 s ARG 769 Ca 0.00 1.41 0.02 0.00 -0.13 0.00 0.00 55.73 57.03 1u45 s ARG 769 Cb 0.00 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1u45 s ARG 769 CO 0.00 -0.64 -0.07 -0.98 -0.81 0.00 0.00 175.30 172.79 1u45 s ARG 770 N -3.42 0.87 -0.09 5.12 1.70 -1.26 -1.27 118.95 120.60 1u45 s ARG 770 Ca 0.68 -1.35 -0.03 0.00 -0.47 0.00 0.00 55.73 54.56 1u45 s ARG 770 Cb -0.19 -0.28 0.05 0.00 -0.57 0.00 0.00 34.95 33.96 1u45 s ARG 770 CO 0.25 -0.00 0.14 0.50 -1.08 0.00 0.00 175.30 175.11 1u45 s ARG 771 N -3.80 0.02 0.29 3.89 3.52 -0.75 -4.67 118.95 117.46 1u45 s ARG 771 Ca 0.12 0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.89 1u45 s ARG 771 Cb 0.05 -0.51 -0.09 0.00 -1.56 0.00 0.00 34.95 32.83 1u45 s ARG 771 CO -0.04 -0.37 1.03 0.71 -0.81 0.00 0.00 175.30 175.82 1u45 s TYR 772 N 2.26 3.67 -0.48 5.12 1.51 -1.26 -1.76 117.35 126.41 1u45 s TYR 772 Ca 0.04 1.77 0.08 0.00 -1.01 0.00 0.00 57.07 57.94 1u45 s TYR 772 Cb -0.13 -3.13 0.27 0.00 -0.11 0.00 0.00 41.96 38.86 1u45 s TYR 772 CO -0.06 -0.17 0.65 1.28 -1.11 0.00 0.00 175.55 176.14 1u45 n LEU 773 N 1.04 1.75 0.14 -1.29 4.77 -0.74 -4.95 117.00 117.72 1u45 n LEU 773 Ca -0.00 -5.05 0.14 0.00 -0.03 0.00 0.00 56.01 51.06 1u45 n LEU 773 Cb 0.47 0.14 0.67 0.00 -2.33 0.00 0.00 43.42 42.36 1u45 n LEU 773 CO 0.51 2.12 1.12 1.55 -1.33 0.00 0.00 177.39 181.36 1u45 h PRO 774 N 3.84 0.00 0.00 3.23 0.13 -1.95 -1.28 132.00 135.97 1u45 h PRO 774 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1u45 h PRO 774 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1u45 h PRO 774 CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 1u45 n ASP 775 N -4.46 0.00 0.32 1.44 10.43 -1.26 -2.87 116.55 120.15 1u45 n ASP 775 Ca 0.03 0.12 0.20 0.00 2.57 0.00 0.00 54.79 57.72 1u45 n ASP 775 Cb 0.33 -0.30 1.03 0.00 1.84 0.00 0.00 41.12 44.02 1u45 n ASP 775 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1u45 h ILE 776 N 0.00 0.07 -0.26 0.53 6.09 -1.51 -2.10 117.51 120.33 1u45 h ILE 776 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1u45 h ILE 776 Cb 0.14 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.60 1u45 h ILE 776 CO 0.00 0.01 0.00 0.35 -3.07 0.00 0.00 178.15 175.44 1u45 n THR 777 N -3.16 0.44 -1.85 2.19 -2.24 -1.14 -4.95 114.28 103.57 1u45 n THR 777 Ca -0.02 -0.72 -0.40 0.00 -2.27 0.00 0.00 64.05 60.64 1u45 n THR 777 Cb 0.15 0.99 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 1u45 n THR 777 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u45 s SER 778 N -1.27 6.15 -0.00 3.42 0.15 -0.79 -4.89 113.70 116.47 1u45 s SER 778 Ca 0.28 2.92 0.09 0.00 0.70 0.00 0.00 55.95 59.94 1u45 s SER 778 Cb 0.17 -2.66 0.26 0.00 -1.71 0.00 0.00 66.02 62.08 1u45 s SER 778 CO 0.24 -0.99 1.21 0.54 1.20 0.00 0.00 173.24 175.44 1u45 n ARG 779 N 0.14 1.69 -3.48 5.44 3.00 -1.26 -4.58 116.66 117.61 1u45 n ARG 779 Ca 0.03 -1.06 -0.42 0.00 -0.01 0.00 0.00 57.85 56.39 1u45 n ARG 779 Cb 0.41 -1.23 -0.10 0.00 0.00 0.00 0.00 32.46 31.54 1u45 n ARG 779 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u45 s ASN 780 N -1.00 6.10 0.21 0.55 3.84 -1.26 -4.99 114.94 118.40 1u45 s ASN 780 Ca 0.20 -0.78 -0.15 0.00 0.21 0.00 0.00 52.86 52.33 1u45 s ASN 780 Cb 0.10 -2.15 0.24 0.00 -0.55 0.00 0.00 41.25 38.89 1u45 s ASN 780 CO 0.13 -0.40 1.60 0.15 -2.79 0.00 0.00 177.10 175.80 1u45 h PHE 781 N 8.60 -0.57 -0.23 0.43 3.04 -1.99 0.14 116.94 126.35 1u45 h PHE 781 Ca -0.28 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1u45 h PHE 781 Cb 1.13 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.98 1u45 h PHE 781 CO 0.58 -0.34 0.10 -0.91 -2.02 0.00 0.00 178.31 175.72 1u45 h ASN 782 N -0.05 0.31 -0.48 0.41 -0.26 -1.97 0.65 115.58 114.19 1u45 h ASN 782 Ca 0.31 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1u45 h ASN 782 Cb 0.54 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1u45 h ASN 782 CO -0.73 0.37 0.22 0.58 -1.06 0.00 0.00 177.43 176.81 1u45 h VAL 783 N 0.23 1.20 -0.70 2.81 2.07 -1.78 -2.31 116.25 117.77 1u45 h VAL 783 Ca 0.08 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1u45 h VAL 783 Cb 0.15 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1u45 h VAL 783 CO -0.01 0.22 0.14 -0.09 0.02 0.00 0.00 177.57 177.86 1u45 h ARG 784 N 0.63 1.14 -0.44 1.57 2.43 -0.63 -2.92 114.38 116.16 1u45 h ARG 784 Ca 0.16 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1u45 h ARG 784 Cb 0.15 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1u45 h ARG 784 CO -0.02 1.02 0.10 0.77 -1.51 0.00 0.00 179.97 180.33 1u45 h SER 785 N 1.07 0.62 -0.03 -3.80 0.02 -0.64 -0.59 113.55 110.20 1u45 h SER 785 Ca 0.22 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1u45 h SER 785 Cb 0.41 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1u45 h SER 785 CO 0.01 0.62 0.01 -0.26 -1.14 0.00 0.00 176.83 176.07 1u45 h PHE 786 N 0.65 0.03 -0.94 3.45 0.04 -1.24 -1.39 116.94 117.54 1u45 h PHE 786 Ca 0.15 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1u45 h PHE 786 Cb 0.26 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 1u45 h PHE 786 CO 0.01 0.07 0.62 0.00 -0.60 0.00 0.00 178.31 178.41 1u45 h ALA 787 N 0.96 1.36 -0.60 2.45 0.00 -1.29 -1.34 119.26 120.81 1u45 h ALA 787 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1u45 h ALA 787 Cb 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1u45 h ALA 787 CO -0.00 0.57 0.05 0.93 0.00 0.00 0.00 179.25 180.80 1u45 h GLU 788 N 1.24 1.02 -0.58 0.00 5.08 -0.79 -0.33 114.58 120.22 1u45 h GLU 788 Ca 0.36 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1u45 h GLU 788 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1u45 h GLU 788 CO -0.09 0.98 0.05 0.00 -1.00 0.00 0.00 179.01 178.95 1u45 h ARG 789 N 0.92 0.97 -0.63 2.33 3.08 -0.77 -2.09 114.38 118.19 1u45 h ARG 789 Ca 0.17 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1u45 h ARG 789 Cb 0.49 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1u45 h ARG 789 CO 0.02 0.92 0.19 0.52 -1.07 0.00 0.00 179.97 180.56 1u45 h MET 790 N 0.91 0.95 -0.66 0.04 2.86 -0.88 0.58 114.93 118.73 1u45 h MET 790 Ca 0.18 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1u45 h MET 790 Cb 0.45 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1u45 h MET 790 CO 0.02 0.82 0.29 0.00 1.06 0.00 0.00 176.91 179.10 1u45 h ALA 791 N 1.28 1.26 -0.01 6.32 0.00 -0.53 0.41 119.26 128.00 1u45 h ALA 791 Ca 0.21 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1u45 h ALA 791 Cb 0.27 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1u45 h ALA 791 CO -0.01 0.55 -0.78 0.52 0.00 0.00 0.00 179.25 179.53 1u45 h MET 792 N 0.95 0.55 0.16 0.00 2.07 -0.80 -3.39 114.93 114.48 1u45 h MET 792 Ca 0.23 -0.58 -0.31 0.00 -2.07 0.00 0.00 59.70 56.97 1u45 h MET 792 Cb 0.14 0.16 0.01 0.00 -1.87 0.00 0.00 31.60 30.04 1u45 h MET 792 CO -0.02 1.20 -1.47 -0.97 1.07 0.00 0.00 176.91 176.72 1u45 h ASN 793 N 0.14 0.52 -0.61 1.22 -0.73 -0.77 -3.39 115.58 111.96 1u45 h ASN 793 Ca -0.09 -0.64 0.08 0.00 1.87 0.00 0.00 56.30 57.52 1u45 h ASN 793 Cb 1.47 -0.17 -0.06 0.00 0.27 0.00 0.00 38.32 39.82 1u45 h ASN 793 CO 0.16 1.52 0.28 0.74 -0.37 0.00 0.00 177.43 179.75 1u45 h THR 794 N 0.09 0.86 0.00 -3.57 2.02 -1.09 -0.18 112.91 111.03 1u45 h THR 794 Ca -0.23 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1u45 h THR 794 Cb 2.05 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1u45 h THR 794 CO 0.20 0.09 -0.11 -0.65 0.37 0.00 0.00 175.52 175.42 1u45 h PRO 795 N 0.51 0.00 0.13 6.66 0.11 -1.76 0.48 132.00 138.14 1u45 h PRO 795 Ca 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1u45 h PRO 795 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1u45 h PRO 795 CO -0.24 0.11 -0.06 0.82 -0.21 0.00 0.00 178.00 178.41 1u45 h ILE 796 N 0.00 0.06 -0.65 4.15 2.04 -1.44 -2.10 117.51 119.58 1u45 h ILE 796 Ca -0.00 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1u45 h ILE 796 Cb 0.19 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1u45 h ILE 796 CO 0.01 0.02 0.16 -0.61 0.00 0.00 0.00 178.15 177.74 1u45 h GLN 797 N -1.04 1.02 -0.32 2.37 4.15 -1.07 -1.69 115.11 118.53 1u45 h GLN 797 Ca -0.02 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.09 1u45 h GLN 797 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1u45 h GLN 797 CO 0.03 0.90 -0.11 0.78 -1.93 0.00 0.00 178.83 178.50 1u45 h GLY 798 N 1.05 0.70 1.23 2.39 0.00 -0.14 -1.76 103.07 106.55 1u45 h GLY 798 Ca 0.21 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1u45 h GLY 798 CO -0.00 0.55 0.13 1.76 0.00 0.00 0.00 176.54 178.98 1u45 h SER 799 N 0.42 0.90 -0.05 0.19 0.02 -1.24 -0.26 113.55 113.52 1u45 h SER 799 Ca 0.08 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1u45 h SER 799 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1u45 h SER 799 CO 0.04 0.88 -0.09 0.00 -1.14 0.00 0.00 176.83 176.52 1u45 h ALA 800 N 1.23 1.48 -0.27 3.77 0.00 -1.18 -1.23 119.26 123.06 1u45 h ALA 800 Ca 0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1u45 h ALA 800 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u45 h ALA 800 CO 0.00 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.36 1u45 h ALA 801 N 1.61 0.39 -0.25 0.00 0.00 -0.43 -2.74 119.26 117.85 1u45 h ALA 801 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1u45 h ALA 801 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1u45 h ALA 801 CO 0.02 0.39 -0.01 -0.44 0.00 0.00 0.00 179.25 179.21 1u45 h ASP 802 N 0.38 -0.12 0.04 0.00 3.45 -0.48 -2.13 116.42 117.57 1u45 h ASP 802 Ca 0.04 0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.58 1u45 h ASP 802 Cb 0.83 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.68 1u45 h ASP 802 CO 0.07 -0.03 -0.15 0.40 -1.57 0.00 0.00 179.24 177.96 1u45 h ILE 803 N 0.06 0.65 0.00 0.35 2.04 -1.20 -1.78 117.51 117.63 1u45 h ILE 803 Ca 0.12 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1u45 h ILE 803 Cb 0.16 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1u45 h ILE 803 CO -0.21 0.00 -0.34 -0.29 0.00 0.00 0.00 178.15 177.30 1u45 h ILE 804 N -0.27 1.25 -0.52 -0.67 2.10 -1.41 -0.35 117.51 117.64 1u45 h ILE 804 Ca 0.04 -1.18 -0.09 0.00 1.08 0.00 0.00 64.86 64.70 1u45 h ILE 804 Cb 0.31 1.64 -0.02 0.00 -1.09 0.00 0.00 36.82 37.66 1u45 h ILE 804 CO -0.11 0.34 -0.05 0.11 -1.08 0.00 0.00 178.15 177.35 1u45 h LYS 805 N 0.00 0.93 -0.21 2.19 1.57 -1.03 -0.81 116.57 119.20 1u45 h LYS 805 Ca -0.00 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.31 1u45 h LYS 805 Cb 0.61 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1u45 h LYS 805 CO 0.04 0.95 -0.53 -0.22 -0.57 0.00 0.00 179.45 179.12 1u45 h LYS 806 N 0.84 0.62 -0.76 3.15 3.64 -0.82 -2.67 116.57 120.57 1u45 h LYS 806 Ca 0.15 -0.38 0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1u45 h LYS 806 Cb 0.57 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 1u45 h LYS 806 CO 0.03 0.99 0.48 0.00 -2.27 0.00 0.00 179.45 178.69 1u45 h ALA 807 N 0.93 1.00 -0.62 5.00 0.00 -0.62 0.34 119.26 125.29 1u45 h ALA 807 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u45 h ALA 807 Cb 1.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1u45 h ALA 807 CO 0.10 0.28 0.35 0.52 0.00 0.00 0.00 179.25 180.50 1u45 h MET 808 N 0.94 0.86 -0.08 0.00 2.86 -0.96 0.22 114.93 118.77 1u45 h MET 808 Ca 0.31 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1u45 h MET 808 Cb 0.02 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1u45 h MET 808 CO -0.11 0.65 0.02 0.82 1.06 0.00 0.00 176.91 179.34 1u45 h ILE 809 N 0.84 1.20 -0.77 -1.22 2.04 -1.06 -1.83 117.51 116.71 1u45 h ILE 809 Ca 0.22 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1u45 h ILE 809 Cb 0.03 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1u45 h ILE 809 CO -0.04 0.17 0.51 0.44 0.00 0.00 0.00 178.15 179.24 1u45 h ASP 810 N -0.09 0.88 -0.35 1.72 3.32 -0.75 -2.38 116.42 118.77 1u45 h ASP 810 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1u45 h ASP 810 Cb 0.26 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1u45 h ASP 810 CO 0.00 0.63 0.20 0.25 -1.72 0.00 0.00 179.24 178.60 1u45 h LEU 811 N 1.03 0.44 -1.31 1.55 5.85 -0.43 -1.66 115.31 120.78 1u45 h LEU 811 Ca 0.28 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1u45 h LEU 811 Cb -0.11 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1u45 h LEU 811 CO -0.07 0.39 0.06 0.78 -0.34 0.00 0.00 178.44 179.26 1u45 h ASN 812 N 0.45 0.48 -0.51 1.25 4.21 -1.11 0.14 115.58 120.49 1u45 h ASN 812 Ca 0.12 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.49 1u45 h ASN 812 Cb 0.05 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 1u45 h ASN 812 CO -0.02 0.51 0.04 0.00 -1.29 0.00 0.00 177.43 176.67 1u45 h ALA 813 N 1.56 0.68 -0.35 -0.83 0.00 -1.09 -1.96 119.26 117.26 1u45 h ALA 813 Ca 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1u45 h ALA 813 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u45 h ALA 813 CO 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1u45 h ARG 814 N 0.74 0.64 -0.85 0.00 2.47 -0.39 -0.98 114.38 116.01 1u45 h ARG 814 Ca 0.15 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1u45 h ARG 814 Cb 0.46 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1u45 h ARG 814 CO 0.02 0.77 0.55 -0.07 0.56 0.00 0.00 179.97 181.80 1u45 h LEU 815 N 0.45 0.91 -0.25 3.04 3.38 -0.67 -1.08 115.31 121.09 1u45 h LEU 815 Ca 0.10 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1u45 h LEU 815 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1u45 h LEU 815 CO 0.02 0.63 -0.09 0.50 0.09 0.00 0.00 178.44 179.59 1u45 h LYS 816 N 1.07 0.50 -1.01 1.13 3.64 -1.21 -0.40 116.57 120.29 1u45 h LYS 816 Ca 0.34 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1u45 h LYS 816 Cb 0.00 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 1u45 h LYS 816 CO -0.11 0.74 0.65 0.93 -2.27 0.00 0.00 179.45 179.39 1u45 h GLU 817 N 0.24 1.17 -0.00 1.90 5.08 -0.78 -1.18 114.58 121.01 1u45 h GLU 817 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1u45 h GLU 817 Cb 0.57 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1u45 h GLU 817 CO 0.03 0.77 -0.17 0.39 -1.00 0.00 0.00 179.01 179.03 1u45 n GLU 818 N -4.49 0.46 -3.73 2.33 -0.58 -0.44 -4.94 120.64 109.24 1u45 n GLU 818 Ca 0.15 -0.17 -0.28 0.00 -0.42 0.00 0.00 57.16 56.45 1u45 n GLU 818 Cb 0.16 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 1u45 n GLU 818 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u45 n ARG 819 N -1.13 -5.80 -2.86 3.49 3.00 -0.24 -4.96 116.66 108.16 1u45 n ARG 819 Ca 0.11 0.66 -0.34 0.00 -0.01 0.00 0.00 57.85 58.27 1u45 n ARG 819 Cb 0.30 -5.57 -0.07 0.00 0.00 0.00 0.00 32.46 27.12 1u45 n ARG 819 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u45 s LEU 820 N -7.18 4.09 0.18 0.55 1.43 -0.70 -4.95 118.68 112.10 1u45 s LEU 820 Ca 0.60 1.67 0.26 0.00 -1.03 0.00 0.00 54.13 55.63 1u45 s LEU 820 Cb -0.29 -4.29 0.83 0.00 0.03 0.00 0.00 46.19 42.46 1u45 s LEU 820 CO 0.74 -0.24 1.76 0.00 0.23 0.00 0.00 176.35 178.85 1u45 n GLN 821 N -0.20 0.23 -1.70 1.70 6.02 -1.26 -4.82 117.38 117.35 1u45 n GLN 821 Ca 0.05 0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.81 1u45 n GLN 821 Cb 0.53 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 30.04 1u45 n GLN 821 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u45 n ALA 822 N -1.75 1.21 -3.01 -1.58 0.00 -1.26 -4.89 120.51 109.22 1u45 n ALA 822 Ca 0.06 0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1u45 n ALA 822 Cb 0.42 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1u45 n ALA 822 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u45 s HIS 823 N -1.21 -0.12 0.39 0.00 -3.43 -0.97 -5.00 115.29 104.95 1u45 s HIS 823 Ca 0.62 -0.01 -0.25 0.00 -0.80 0.00 0.00 55.06 54.61 1u45 s HIS 823 Cb -0.50 0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 30.67 1u45 s HIS 823 CO 0.57 -0.52 1.17 -0.51 -2.00 0.00 0.00 174.74 173.45 1u45 s LEU 824 N -2.10 4.21 -0.05 5.38 1.43 -1.26 -2.29 118.68 124.01 1u45 s LEU 824 Ca -0.05 2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1u45 s LEU 824 Cb -0.01 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1u45 s LEU 824 CO -0.04 -0.65 -0.07 0.18 0.23 0.00 0.00 176.35 176.01 1u45 n LEU 825 N 0.13 0.63 -4.08 1.79 4.77 0.71 -4.60 117.00 116.35 1u45 n LEU 825 Ca 0.04 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1u45 n LEU 825 Cb 0.46 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1u45 n LEU 825 CO 0.51 0.16 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.76 1u45 s LEU 826 N -6.19 1.54 -0.05 2.23 1.43 -0.89 -4.72 118.68 112.02 1u45 s LEU 826 Ca -0.07 -1.09 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1u45 s LEU 826 Cb 0.03 0.58 0.02 0.00 0.03 0.00 0.00 46.19 46.85 1u45 s LEU 826 CO 0.10 -0.78 -0.05 -1.58 0.23 0.00 0.00 176.35 174.27 1u45 s GLN 827 N -4.02 0.91 -0.56 1.70 -0.44 -1.26 -1.14 119.66 114.86 1u45 s GLN 827 Ca 0.21 -0.11 0.06 0.00 -2.50 0.00 0.00 55.36 53.03 1u45 s GLN 827 Cb 0.06 -0.95 0.31 0.00 -1.64 0.00 0.00 33.01 30.79 1u45 s GLN 827 CO 0.01 -0.12 0.84 0.28 0.50 0.00 0.00 175.29 176.80 1u45 n VAL 828 N 4.25 2.24 0.00 1.34 0.31 -0.20 -4.86 118.33 121.40 1u45 n VAL 828 Ca -0.21 -5.26 0.00 0.00 -0.01 0.00 0.00 64.34 58.85 1u45 n VAL 828 Cb 0.51 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1u45 n VAL 828 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1u45 n HIS 829 N 0.21 0.00 -1.51 3.52 -0.00 -1.26 -3.43 115.22 112.75 1u45 n HIS 829 Ca 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 58.05 1u45 n HIS 829 Cb 0.44 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.49 1u45 n HIS 829 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1u45 n ASP 830 N 1.78 1.02 -3.94 0.41 5.75 -1.26 -4.81 116.55 115.50 1u45 n ASP 830 Ca 0.00 -2.40 -0.09 0.00 -0.01 0.00 0.00 54.79 52.28 1u45 n ASP 830 Cb 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 39.71 1u45 n ASP 830 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1u45 s GLU 831 N -1.20 0.51 -0.09 0.11 -1.05 -1.22 -0.78 118.70 114.98 1u45 s GLU 831 Ca 0.13 -0.70 0.03 0.00 -0.15 0.00 0.00 54.97 54.28 1u45 s GLU 831 Cb 0.11 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1u45 s GLU 831 CO 0.01 -0.12 -0.19 -0.51 0.95 0.00 0.00 175.26 175.41 1u45 s LEU 832 N -1.92 1.89 -0.17 1.83 1.43 0.07 -1.03 118.68 120.78 1u45 s LEU 832 Ca -0.08 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1u45 s LEU 832 Cb -0.03 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1u45 s LEU 832 CO -0.03 0.10 -0.07 -0.63 0.23 0.00 0.00 176.35 175.96 1u45 s ILE 833 N 0.49 3.47 0.32 -0.59 -1.09 -0.29 -1.47 121.20 122.03 1u45 s ILE 833 Ca -0.17 -0.49 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1u45 s ILE 833 Cb -0.17 -2.52 -0.06 0.00 -1.58 0.00 0.00 42.46 38.12 1u45 s ILE 833 CO 0.07 0.48 0.05 -0.76 -1.23 0.00 0.00 174.94 173.55 1u45 s LEU 834 N 0.75 2.20 0.03 2.97 1.02 0.94 -0.21 118.68 126.38 1u45 s LEU 834 Ca -0.03 -1.37 0.03 0.00 0.02 0.00 0.00 54.13 52.78 1u45 s LEU 834 Cb -0.15 -0.40 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 1u45 s LEU 834 CO 0.02 -0.60 -0.08 -1.83 0.02 0.00 0.00 176.35 173.88 1u45 s GLU 835 N -3.88 0.57 0.14 1.70 -1.05 -0.97 -0.46 118.70 114.75 1u45 s GLU 835 Ca 0.36 -0.61 -0.25 0.00 -0.15 0.00 0.00 54.97 54.32 1u45 s GLU 835 Cb 0.09 -0.44 0.07 0.00 -0.44 0.00 0.00 34.13 33.40 1u45 s GLU 835 CO 0.15 0.10 0.90 0.00 0.95 0.00 0.00 175.26 177.37 1u45 s ALA 836 N -0.96 -1.63 0.57 -0.84 0.00 -0.64 -2.28 121.76 115.97 1u45 s ALA 836 Ca -0.05 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 1u45 s ALA 836 Cb -0.08 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1u45 s ALA 836 CO 0.00 -0.97 1.33 -2.14 0.00 0.00 0.00 175.76 173.98 1u45 s PRO 837 N -3.35 3.03 0.52 0.00 0.02 -1.26 -0.16 135.00 133.79 1u45 s PRO 837 Ca 0.10 2.15 0.18 0.00 0.02 0.00 0.00 61.00 63.45 1u45 s PRO 837 Cb -0.02 -2.15 1.28 0.00 0.02 0.00 0.00 34.50 33.63 1u45 s PRO 837 CO 0.00 -1.25 2.10 1.57 -0.33 0.00 0.00 177.00 179.09 1u45 h LYS 838 N 1.24 0.03 0.00 5.54 2.10 -1.53 -0.46 116.57 123.49 1u45 h LYS 838 Ca -0.51 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1u45 h LYS 838 Cb 1.31 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1u45 h LYS 838 CO 0.56 0.02 0.00 0.39 -2.00 0.00 0.00 179.45 178.42 1u45 n GLU 839 N -4.50 0.01 0.00 0.07 4.71 -1.26 -2.40 120.64 117.28 1u45 n GLU 839 Ca 0.01 0.28 0.11 0.00 -0.01 0.00 0.00 57.16 57.54 1u45 n GLU 839 Cb 0.23 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.17 1u45 n GLU 839 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u45 n GLU 840 N -1.49 1.50 -0.10 3.49 1.02 -0.18 -4.61 120.64 120.27 1u45 n GLU 840 Ca 0.03 -1.16 -0.05 0.00 -0.02 0.00 0.00 57.16 55.96 1u45 n GLU 840 Cb 0.14 -1.43 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1u45 n GLU 840 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1u45 h MET 841 N 2.78 0.11 -0.91 3.49 2.86 -1.55 -1.04 114.93 120.67 1u45 h MET 841 Ca 0.00 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1u45 h MET 841 Cb 0.76 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 1u45 h MET 841 CO 0.00 0.08 0.58 0.93 1.06 0.00 0.00 176.91 179.56 1u45 h GLU 842 N 0.12 1.09 -0.36 1.72 5.08 -1.82 0.75 114.58 121.16 1u45 h GLU 842 Ca 0.17 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1u45 h GLU 842 Cb 0.23 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1u45 h GLU 842 CO -0.28 0.72 -0.30 0.00 -1.00 0.00 0.00 179.01 178.15 1u45 h ARG 843 N 1.12 0.77 -0.48 2.33 3.08 -1.77 -3.05 114.38 116.39 1u45 h ARG 843 Ca 0.37 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1u45 h ARG 843 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1u45 h ARG 843 CO -0.13 0.97 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.60 1u45 h LEU 844 N 0.66 0.84 -2.01 3.04 4.07 -0.39 -0.28 115.31 121.23 1u45 h LEU 844 Ca 0.07 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.86 1u45 h LEU 844 Cb 0.83 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1u45 h LEU 844 CO 0.07 0.95 0.18 0.00 -1.08 0.00 0.00 178.44 178.56 1u45 n ARG 846 N -4.43 0.68 -0.03 0.00 1.74 -1.02 -4.47 116.66 109.14 1u45 n ARG 846 Ca 0.03 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.24 1u45 n ARG 846 Cb 0.33 -1.63 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 1u45 n ARG 846 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u45 h LEU 847 N -0.18 0.13 0.22 0.55 5.85 -0.87 -3.14 115.31 117.87 1u45 h LEU 847 Ca -0.50 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 57.73 1u45 h LEU 847 Cb 1.86 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1u45 h LEU 847 CO -0.06 0.59 -0.10 0.58 -0.34 0.00 0.00 178.44 179.10 1u45 h VAL 848 N -0.33 0.80 -0.54 1.05 2.07 -1.51 -1.54 116.25 116.26 1u45 h VAL 848 Ca 0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1u45 h VAL 848 Cb 0.55 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1u45 h VAL 848 CO 0.01 0.02 0.34 -0.65 0.02 0.00 0.00 177.57 177.30 1u45 h PRO 849 N -0.32 0.66 -0.16 1.57 0.11 -1.76 -1.54 132.00 130.55 1u45 h PRO 849 Ca -0.03 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1u45 h PRO 849 Cb 0.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 1u45 h PRO 849 CO 0.05 0.43 -0.01 1.49 -0.21 0.00 0.00 178.00 179.75 1u45 h GLU 850 N 0.67 0.04 -0.36 1.05 4.57 -1.48 0.28 114.58 119.36 1u45 h GLU 850 Ca 0.21 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1u45 h GLU 850 Cb -0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1u45 h GLU 850 CO -0.08 0.03 0.23 0.28 -1.18 0.00 0.00 179.01 178.29 1u45 h VAL 851 N 0.04 1.07 -0.57 0.32 2.07 -1.07 0.05 116.25 118.17 1u45 h VAL 851 Ca 0.08 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1u45 h VAL 851 Cb 0.10 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1u45 h VAL 851 CO -0.14 0.09 0.01 0.24 0.02 0.00 0.00 177.57 177.79 1u45 h MET 852 N 0.47 0.99 0.00 1.57 2.86 -0.99 -1.91 114.93 117.91 1u45 h MET 852 Ca 0.14 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1u45 h MET 852 Cb -0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1u45 h MET 852 CO -0.04 0.98 -0.45 0.93 1.06 0.00 0.00 176.91 179.39 1u45 h GLU 853 N 0.87 0.00 -0.20 1.72 5.08 -0.21 -3.17 114.58 118.68 1u45 h GLU 853 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1u45 h GLU 853 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1u45 h GLU 853 CO 0.03 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 179.53 1u45 n GLN 854 N -4.00 2.25 -0.31 2.33 1.13 -0.02 -4.48 117.38 114.28 1u45 n GLN 854 Ca -0.02 -1.86 0.10 0.00 -1.94 0.00 0.00 57.00 53.28 1u45 n GLN 854 Cb 0.47 -1.48 0.26 0.00 0.11 0.00 0.00 30.24 29.61 1u45 n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u45 h ALA 855 N 4.50 1.39 -2.32 -1.58 0.00 -1.32 -3.42 119.26 116.50 1u45 h ALA 855 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1u45 h ALA 855 Cb 0.87 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1u45 h ALA 855 CO 0.00 -0.14 -0.65 0.14 0.00 0.00 0.00 179.25 178.60 1u45 s VAL 856 N -5.93 0.20 -0.27 0.00 -7.23 -1.26 -4.91 120.40 101.01 1u45 s VAL 856 Ca -0.12 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1u45 s VAL 856 Cb 0.23 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1u45 s VAL 856 CO 0.78 -0.92 0.03 -0.89 -0.31 0.00 0.00 175.10 173.79 1u45 s THR 857 N -3.72 3.69 0.52 5.32 2.01 -1.26 -4.97 115.64 117.24 1u45 s THR 857 Ca 0.05 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1u45 s THR 857 Cb 0.06 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1u45 s THR 857 CO -0.09 0.20 0.36 -0.76 -0.69 0.00 0.00 174.62 173.63 1u45 s LEU 858 N 1.48 2.76 0.08 4.42 1.43 -1.26 -5.00 118.68 122.58 1u45 s LEU 858 Ca 0.03 -1.22 0.21 0.00 -1.03 0.00 0.00 54.13 52.12 1u45 s LEU 858 Cb -0.16 -1.25 0.86 0.00 0.03 0.00 0.00 46.19 45.67 1u45 s LEU 858 CO 0.00 -1.01 1.66 0.54 0.23 0.00 0.00 176.35 177.77 1u45 n ARG 859 N -1.67 0.07 -4.25 1.70 1.74 -1.26 -4.68 116.66 108.31 1u45 n ARG 859 Ca -0.02 0.23 -0.19 0.00 -0.77 0.00 0.00 57.85 57.10 1u45 n ARG 859 Cb 0.64 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1u45 n ARG 859 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1u45 s VAL 860 N -3.08 1.39 0.75 1.55 -7.23 -1.26 -5.03 120.40 107.48 1u45 s VAL 860 Ca 0.08 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 1u45 s VAL 860 Cb 0.12 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.55 1u45 s VAL 860 CO 0.39 -0.38 1.10 -2.16 -0.31 0.00 0.00 175.10 173.74 1u45 s PRO 861 N -2.62 2.37 -0.13 4.82 0.04 -1.26 -5.03 135.00 133.19 1u45 s PRO 861 Ca 0.09 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 1u45 s PRO 861 Cb -0.05 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1u45 s PRO 861 CO 0.03 -1.57 0.03 -1.17 0.04 0.00 0.00 177.00 174.37 1u45 s LEU 862 N -5.65 3.72 -0.10 -3.56 2.96 -1.26 -5.02 118.68 109.77 1u45 s LEU 862 Ca 0.63 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1u45 s LEU 862 Cb -0.18 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1u45 s LEU 862 CO 0.52 0.30 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.87 1u45 s LYS 863 N -0.41 3.04 -0.10 1.98 2.47 -1.26 -4.81 119.74 120.66 1u45 s LYS 863 Ca 0.09 -0.86 0.03 0.00 -1.56 0.00 0.00 55.97 53.66 1u45 s LYS 863 Cb -0.12 -2.32 0.01 0.00 -1.46 0.00 0.00 37.83 33.94 1u45 s LYS 863 CO 0.02 0.20 -0.17 0.08 0.16 0.00 0.00 175.35 175.64 1u45 s VAL 864 N 0.29 1.57 0.29 4.02 1.01 -1.26 -0.14 120.40 126.18 1u45 s VAL 864 Ca -0.17 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1u45 s VAL 864 Cb -0.17 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1u45 s VAL 864 CO 0.08 0.45 0.35 -1.81 0.00 0.00 0.00 175.10 174.17 1u45 s ASP 865 N 0.71 5.85 0.05 3.32 1.01 0.11 -4.91 116.67 122.81 1u45 s ASP 865 Ca -0.12 -0.19 -0.21 0.00 0.71 0.00 0.00 52.55 52.74 1u45 s ASP 865 Cb -0.16 -1.40 0.05 0.00 1.01 0.00 0.00 42.92 42.42 1u45 s ASP 865 CO 0.03 -0.23 0.48 -0.72 0.21 0.00 0.00 175.17 174.94 1u45 s TYR 866 N -2.14 -0.37 0.12 4.23 -0.85 -1.26 -0.64 117.35 116.45 1u45 s TYR 866 Ca 0.39 0.36 -0.15 0.00 -0.52 0.00 0.00 57.07 57.14 1u45 s TYR 866 Cb -0.08 0.31 0.03 0.00 0.38 0.00 0.00 41.96 42.60 1u45 s TYR 866 CO 0.28 -0.63 0.39 -1.01 -1.52 0.00 0.00 175.55 173.06 1u45 s HIS 867 N -2.57 -0.17 0.09 -3.49 0.09 -0.30 -5.00 115.29 103.94 1u45 s HIS 867 Ca -0.05 -0.16 -0.15 0.00 -0.00 0.00 0.00 55.06 54.70 1u45 s HIS 867 Cb -0.01 0.23 0.03 0.00 -0.00 0.00 0.00 32.58 32.84 1u45 s HIS 867 CO -0.03 -0.69 0.37 1.52 -0.00 0.00 0.00 174.74 175.91 1u45 s TYR 868 N -3.81 -0.17 -0.00 1.40 -0.85 -1.26 -0.73 117.35 111.93 1u45 s TYR 868 Ca 0.03 -0.08 -0.14 0.00 -0.52 0.00 0.00 57.07 56.36 1u45 s TYR 868 Cb 0.02 0.20 0.04 0.00 0.38 0.00 0.00 41.96 42.60 1u45 s TYR 868 CO -0.12 -0.63 0.62 0.41 -1.52 0.00 0.00 175.55 174.31 1u45 n GLY 869 N 0.04 0.47 0.24 5.49 0.00 -0.46 -4.46 105.19 106.52 1u45 n GLY 869 Ca -0.17 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.01 1u45 n GLY 869 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u45 h SER 870 N 0.97 0.00 -5.65 1.61 0.02 -1.87 -0.38 113.55 108.25 1u45 h SER 870 Ca -0.11 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.56 1u45 h SER 870 Cb 0.57 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.97 1u45 h SER 870 CO 0.15 0.18 -0.58 0.42 -1.14 0.00 0.00 176.83 175.86 1u45 s THR 871 N -4.11 0.00 0.30 -2.27 -4.23 -1.26 -4.34 115.64 99.73 1u45 s THR 871 Ca -0.02 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1u45 s THR 871 Cb 0.13 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.68 1u45 s THR 871 CO 0.62 0.00 1.91 -0.25 -0.54 0.00 0.00 174.62 176.36 1u45 h TRP 872 N 2.50 0.93 -0.48 3.99 7.01 -1.15 -2.03 115.95 126.73 1u45 h TRP 872 Ca -0.33 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 60.68 1u45 h TRP 872 Cb 1.25 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.97 1u45 h TRP 872 CO 0.66 0.67 0.24 -0.92 -2.79 0.00 0.00 178.44 176.30 1u45 h TYR 873 N 0.94 0.45 0.00 2.65 3.20 -1.72 -2.26 116.97 120.23 1u45 h TYR 873 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1u45 h TYR 873 Cb 0.07 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1u45 h TYR 873 CO 0.01 0.23 0.00 -0.25 -1.64 0.00 0.00 178.16 176.51 1u45 n ASP 874 N -4.89 0.70 -2.89 -2.11 9.92 -0.81 -3.95 116.55 112.52 1u45 n ASP 874 Ca 0.04 0.65 -0.28 0.00 -0.53 0.00 0.00 54.79 54.67 1u45 n ASP 874 Cb 0.12 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 39.72 1u45 n ASP 874 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u45 n ALA 875 N -1.78 6.63 -0.91 2.24 0.00 -0.85 -4.19 120.51 121.65 1u45 n ALA 875 Ca 0.03 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1u45 n ALA 875 Cb 0.26 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1u45 n ALA 875 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86