#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqj n ASN 278 N -0.36 2.72 -4.71 0.00 6.94 -1.26 -3.86 115.26 114.72 2qqj n ASN 278 Ca 0.16 -3.72 -0.40 0.00 -0.02 0.00 0.00 54.58 50.59 2qqj n ASN 278 Cb 0.92 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 2qqj n ASN 278 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2qqj s VAL 279 N -3.24 5.01 0.15 3.53 1.01 -0.96 -4.61 120.40 121.29 2qqj s VAL 279 Ca 0.46 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 2qqj s VAL 279 Cb 0.41 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2qqj s VAL 279 CO 0.02 0.23 1.73 -2.16 0.00 0.00 0.00 175.10 174.92 2qqj s PRO 280 N 0.86 4.15 0.10 2.72 0.04 -1.26 -1.20 135.00 140.42 2qqj s PRO 280 Ca 0.41 2.53 0.26 0.00 0.04 0.00 0.00 61.00 64.24 2qqj s PRO 280 Cb -0.18 -3.38 0.76 0.00 0.04 0.00 0.00 34.50 31.74 2qqj s PRO 280 CO 0.20 -0.77 1.65 1.28 0.04 0.00 0.00 177.00 179.40 2qqj n LEU 281 N 4.92 0.53 0.00 -3.56 4.77 0.27 -4.92 117.00 119.01 2qqj n LEU 281 Ca 0.16 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2qqj n LEU 281 Cb 0.38 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2qqj n LEU 281 CO 0.64 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2qqj n GLY 282 N 1.39 -0.96 0.24 -0.72 0.00 -1.26 -4.33 105.19 99.54 2qqj n GLY 282 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2qqj n GLY 282 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qqj h MET 283 N 0.00 -0.50 -0.81 1.61 2.86 -1.85 -1.28 114.93 114.96 2qqj h MET 283 Ca 0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2qqj h MET 283 Cb 0.00 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 2qqj h MET 283 CO 0.00 -0.19 0.35 1.49 1.06 0.00 0.00 176.91 179.63 2qqj h GLU 284 N -0.90 1.18 0.00 1.72 4.81 -1.79 -3.20 114.58 116.40 2qqj h GLU 284 Ca -0.05 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2qqj h GLU 284 Cb 0.55 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2qqj h GLU 284 CO 0.09 0.93 -0.22 0.66 -0.73 0.00 0.00 179.01 179.74 2qqj h SER 285 N 1.16 0.00 0.00 1.04 4.64 -1.92 -3.48 113.55 115.00 2qqj h SER 285 Ca 0.27 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2qqj h SER 285 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2qqj h SER 285 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 2qqj n GLY 286 N 1.12 0.55 0.21 -0.77 0.00 -0.65 -4.92 105.19 100.74 2qqj n GLY 286 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2qqj n GLY 286 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qqj h ARG 287 N 4.03 0.03 -5.82 1.61 2.43 -1.78 -3.24 114.38 111.64 2qqj h ARG 287 Ca 0.00 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.55 2qqj h ARG 287 Cb 0.00 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.42 2qqj h ARG 287 CO 0.00 0.27 0.55 0.42 -1.51 0.00 0.00 179.97 179.70 2qqj s ILE 288 N -4.49 4.41 0.76 1.20 1.01 -0.58 -4.94 121.20 118.56 2qqj s ILE 288 Ca -0.04 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2qqj s ILE 288 Cb 0.15 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 38.14 2qqj s ILE 288 CO 0.71 -1.11 1.11 0.00 0.00 0.00 0.00 174.94 175.66 2qqj s ALA 289 N 3.90 2.21 0.33 9.38 0.00 -1.22 -4.75 121.76 131.59 2qqj s ALA 289 Ca 0.30 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.76 2qqj s ALA 289 Cb -0.13 -3.32 0.83 0.00 0.00 0.00 0.00 23.12 20.51 2qqj s ALA 289 CO 0.19 -1.77 1.77 -0.91 0.00 0.00 0.00 175.76 175.04 2qqj h ASN 290 N -0.86 0.70 0.57 0.00 2.35 -1.94 -1.34 115.58 115.05 2qqj h ASN 290 Ca -0.45 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2qqj h ASN 290 Cb 1.24 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2qqj h ASN 290 CO 0.51 0.21 0.00 -0.33 -1.65 0.00 0.00 177.43 176.17 2qqj h GLU 291 N 0.66 0.00 -0.01 0.81 3.07 -2.01 -2.65 114.58 114.46 2qqj h GLU 291 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 2qqj h GLU 291 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2qqj h GLU 291 CO -0.37 0.00 -0.20 1.04 -1.40 0.00 0.00 179.01 178.08 2qqj n GLN 292 N -2.65 1.00 -4.59 2.33 6.02 -0.51 -4.85 117.38 114.14 2qqj n GLN 292 Ca 0.00 -0.57 -0.33 0.00 -0.01 0.00 0.00 57.00 56.08 2qqj n GLN 292 Cb 0.19 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.83 2qqj n GLN 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qqj s ILE 293 N -2.40 3.31 0.29 5.09 1.01 -1.00 -0.70 121.20 126.81 2qqj s ILE 293 Ca 0.27 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 2qqj s ILE 293 Cb 0.20 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 2qqj s ILE 293 CO 0.48 0.51 0.46 -0.94 0.00 0.00 0.00 174.94 175.44 2qqj s SER 294 N 0.46 0.42 0.19 3.58 1.04 -0.28 -4.78 113.70 114.33 2qqj s SER 294 Ca -0.07 -1.25 -0.12 0.00 0.48 0.00 0.00 55.95 54.98 2qqj s SER 294 Cb -0.15 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2qqj s SER 294 CO 0.04 -1.21 0.39 0.00 0.98 0.00 0.00 173.24 173.44 2qqj s ALA 295 N -3.49 -0.32 0.23 5.32 0.00 -1.26 0.11 121.76 122.34 2qqj s ALA 295 Ca 0.28 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2qqj s ALA 295 Cb 0.00 0.91 0.25 0.00 0.00 0.00 0.00 23.12 24.27 2qqj s ALA 295 CO 0.15 -0.74 1.88 0.66 0.00 0.00 0.00 175.76 177.71 2qqj h SER 296 N 2.38 0.92 -5.03 0.00 4.64 -1.65 -3.47 113.55 111.34 2qqj h SER 296 Ca -0.30 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2qqj h SER 296 Cb 1.24 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2qqj h SER 296 CO 0.42 0.64 0.23 -0.94 -0.87 0.00 0.00 176.83 176.31 2qqj s SER 297 N -5.89 -0.01 0.04 4.97 1.04 -1.26 -5.02 113.70 107.57 2qqj s SER 297 Ca -0.13 -1.04 -0.10 0.00 0.48 0.00 0.00 55.95 55.16 2qqj s SER 297 Cb 0.17 0.81 0.01 0.00 0.10 0.00 0.00 66.02 67.11 2qqj s SER 297 CO 0.79 -1.58 0.22 0.28 0.98 0.00 0.00 173.24 173.93 2qqj s THR 298 N -2.76 0.10 0.36 2.02 -1.32 -1.26 -4.30 115.64 108.47 2qqj s THR 298 Ca 0.15 -0.85 -0.28 0.00 -1.21 0.00 0.00 61.69 59.50 2qqj s THR 298 Cb -0.05 -0.92 -0.11 0.00 -1.51 0.00 0.00 72.50 69.91 2qqj s THR 298 CO 0.11 -0.47 1.41 -0.47 -2.21 0.00 0.00 174.62 172.99 2qqj s TYR 299 N -2.58 2.80 -0.21 9.09 5.04 -0.42 -3.58 117.35 127.49 2qqj s TYR 299 Ca -0.05 1.28 0.26 0.00 -2.44 0.00 0.00 57.07 56.12 2qqj s TYR 299 Cb -0.01 -3.87 1.22 0.00 0.35 0.00 0.00 41.96 39.66 2qqj s TYR 299 CO -0.04 -2.48 1.78 0.66 -1.34 0.00 0.00 175.55 174.13 2qqj h SER 300 N 3.19 0.00 0.61 4.32 4.64 -1.89 -1.86 113.55 122.56 2qqj h SER 300 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qqj h SER 300 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2qqj h SER 300 CO 0.65 0.00 -0.19 -0.90 -0.87 0.00 0.00 176.83 175.52 2qqj n ASP 301 N -2.42 0.33 0.00 4.97 5.68 -1.26 -4.96 116.55 118.89 2qqj n ASP 301 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 2qqj n ASP 301 Cb 0.15 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 2qqj n ASP 301 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qqj n GLY 302 N 1.42 0.54 1.00 6.12 0.00 -0.70 -4.92 105.19 108.65 2qqj n GLY 302 Ca 0.09 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2qqj n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqj n ARG 303 N -2.90 2.53 -2.67 1.61 5.12 -1.26 -4.43 116.66 114.66 2qqj n ARG 303 Ca 0.00 -2.25 -0.12 0.00 -1.93 0.00 0.00 57.85 53.55 2qqj n ARG 303 Cb 0.00 -1.43 0.02 0.00 -1.16 0.00 0.00 32.46 29.89 2qqj n ARG 303 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2qqj n TRP 304 N 1.17 1.38 -1.87 -1.55 7.02 -1.26 -4.58 117.44 117.75 2qqj n TRP 304 Ca 0.18 -2.89 -0.33 0.00 -1.02 0.00 0.00 57.50 53.43 2qqj n TRP 304 Cb 0.53 -0.35 0.04 0.00 -2.42 0.00 0.00 31.31 29.11 2qqj n TRP 304 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2qqj s THR 305 N -3.37 3.28 0.50 -0.99 -4.23 -1.25 -2.07 115.64 107.51 2qqj s THR 305 Ca 0.30 0.63 0.23 0.00 -1.18 0.00 0.00 61.69 61.67 2qqj s THR 305 Cb 0.45 -3.16 0.39 0.00 1.34 0.00 0.00 72.50 71.52 2qqj s THR 305 CO 0.01 -0.33 1.97 -0.65 -0.54 0.00 0.00 174.62 175.07 2qqj h PRO 306 N 0.27 0.11 0.00 3.99 0.11 -1.90 -0.57 132.00 134.01 2qqj h PRO 306 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qqj h PRO 306 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qqj h PRO 306 CO 0.55 0.07 0.00 1.04 -0.21 0.00 0.00 178.00 179.45 2qqj n GLN 307 N -4.40 0.08 -0.09 1.05 3.00 -1.26 -1.83 117.38 113.93 2qqj n GLN 307 Ca 0.12 0.32 0.06 0.00 -0.01 0.00 0.00 57.00 57.49 2qqj n GLN 307 Cb 0.61 -1.65 0.23 0.00 0.00 0.00 0.00 30.24 29.43 2qqj n GLN 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qqj n GLN 308 N -1.79 1.49 -0.26 -1.09 6.02 -0.22 -4.27 117.38 117.26 2qqj n GLN 308 Ca 0.03 -0.75 0.03 0.00 -0.01 0.00 0.00 57.00 56.30 2qqj n GLN 308 Cb 0.19 -1.24 0.14 0.00 1.02 0.00 0.00 30.24 30.35 2qqj n GLN 308 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2qqj n SER 309 N 0.05 2.25 -4.72 1.08 3.41 -0.76 -4.04 113.62 110.88 2qqj n SER 309 Ca 0.10 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 2qqj n SER 309 Cb 0.20 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 2qqj n SER 309 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qqj s ARG 310 N -1.64 4.60 0.31 4.33 0.52 -1.26 0.61 118.95 126.41 2qqj s ARG 310 Ca 0.19 1.55 -0.29 0.00 -0.52 0.00 0.00 55.73 56.67 2qqj s ARG 310 Cb 0.13 -3.37 -0.13 0.00 0.52 0.00 0.00 34.95 32.10 2qqj s ARG 310 CO 0.08 0.05 1.26 -0.11 0.02 0.00 0.00 175.30 176.60 2qqj n LEU 311 N 3.12 3.08 -0.06 2.53 7.94 -0.56 -1.21 117.00 131.84 2qqj n LEU 311 Ca 0.04 1.19 -0.01 0.00 -1.11 0.00 0.00 56.01 56.12 2qqj n LEU 311 Cb 0.48 -1.43 -0.00 0.00 0.53 0.00 0.00 43.42 43.00 2qqj n LEU 311 CO 0.53 -0.68 -0.01 1.41 -1.11 0.00 0.00 177.39 177.53 2qqj n HIS 312 N 0.66 0.00 -1.86 1.96 8.25 -1.26 -4.53 115.22 118.45 2qqj n HIS 312 Ca 0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 2qqj n HIS 312 Cb 0.34 -1.76 0.04 0.00 1.12 0.00 0.00 29.99 29.73 2qqj n HIS 312 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qqj s GLY 313 N -2.04 2.86 0.00 -1.41 0.00 -0.35 -4.94 107.32 101.44 2qqj s GLY 313 Ca 0.00 1.24 0.24 0.00 0.00 0.00 0.00 44.72 46.20 2qqj s GLY 313 CO 0.00 1.74 1.27 2.09 0.00 0.00 0.00 173.10 178.19 2qqj n ASP 314 N -1.09 2.82 -4.06 1.64 5.75 -1.26 -4.74 116.55 115.61 2qqj n ASP 314 Ca 0.11 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.63 2qqj n ASP 314 Cb 0.46 0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 2qqj n ASP 314 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qqj s ASP 315 N -2.05 4.96 0.63 -1.12 2.15 -1.26 -4.97 116.67 115.00 2qqj s ASP 315 Ca 0.27 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.67 2qqj s ASP 315 Cb 0.20 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 2qqj s ASP 315 CO 0.33 -0.38 0.00 0.59 -0.17 0.00 0.00 175.17 175.54 2qqj n ASN 316 N 3.78 0.00 -1.20 -0.34 3.02 -1.26 -4.89 115.26 114.37 2qqj n ASN 316 Ca 0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2qqj n ASN 316 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2qqj n ASN 316 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qqj n GLY 317 N 0.00 1.24 3.73 7.41 0.00 -1.26 -4.79 105.19 111.52 2qqj n GLY 317 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 2qqj n GLY 317 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qqj s TRP 318 N -5.63 3.67 -0.01 1.61 -0.00 -0.41 -3.94 118.94 114.22 2qqj s TRP 318 Ca 0.02 1.42 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 2qqj s TRP 318 Cb -0.00 -2.85 0.01 0.00 -0.00 0.00 0.00 33.47 30.63 2qqj s TRP 318 CO 0.00 0.17 0.01 0.99 -0.00 0.00 0.00 176.95 178.12 2qqj s THR 319 N 0.40 0.01 0.95 5.86 2.01 -0.88 -1.13 115.64 122.86 2qqj s THR 319 Ca 0.40 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 2qqj s THR 319 Cb -0.20 -0.08 0.16 0.00 0.01 0.00 0.00 72.50 72.40 2qqj s THR 319 CO 0.22 0.05 1.17 -2.16 -0.69 0.00 0.00 174.62 173.22 2qqj s PRO 320 N 0.53 0.81 0.25 4.92 0.04 -1.26 -1.30 135.00 138.99 2qqj s PRO 320 Ca -0.05 0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.19 2qqj s PRO 320 Cb -0.07 -1.82 0.25 0.00 0.04 0.00 0.00 34.50 32.91 2qqj s PRO 320 CO -0.01 -2.38 1.55 -0.97 0.04 0.00 0.00 177.00 175.22 2qqj h ASN 321 N -1.63 0.00 -4.27 6.66 -1.24 -1.76 -3.31 115.58 110.04 2qqj h ASN 321 Ca -0.48 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 55.94 2qqj h ASN 321 Cb 1.31 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 40.11 2qqj h ASN 321 CO 0.54 0.67 -0.84 -0.76 -1.29 0.00 0.00 177.43 175.75 2qqj s LEU 322 N -7.32 2.19 -0.58 0.34 1.43 -1.26 -4.86 118.68 108.61 2qqj s LEU 322 Ca -0.00 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 2qqj s LEU 322 Cb 0.12 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.42 2qqj s LEU 322 CO 0.77 0.16 0.79 -1.81 0.23 0.00 0.00 176.35 176.48 2qqj s ASP 323 N -1.28 6.21 0.18 2.29 1.01 -1.26 -4.91 116.67 118.90 2qqj s ASP 323 Ca 0.08 -1.02 -0.06 0.00 0.71 0.00 0.00 52.55 52.26 2qqj s ASP 323 Cb -0.09 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2qqj s ASP 323 CO 0.02 -1.16 0.24 -0.94 0.21 0.00 0.00 175.17 173.53 2qqj s SER 324 N 3.28 0.10 0.00 0.27 1.04 -1.26 -5.04 113.70 112.09 2qqj s SER 324 Ca 0.18 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.63 2qqj s SER 324 Cb -0.19 0.42 0.34 0.00 0.10 0.00 0.00 66.02 66.69 2qqj s SER 324 CO 0.11 -0.89 1.23 -0.46 0.98 0.00 0.00 173.24 174.21 2qqj n ASN 325 N -0.23 0.18 -0.22 7.02 0.23 -1.26 -2.87 115.26 118.11 2qqj n ASN 325 Ca -0.04 -1.83 0.12 0.00 -0.53 0.00 0.00 54.58 52.29 2qqj n ASN 325 Cb 0.64 -0.02 0.18 0.00 -2.08 0.00 0.00 39.78 38.49 2qqj n ASN 325 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2qqj n LYS 326 N -0.48 0.63 -3.17 -3.83 5.02 -1.26 -4.82 118.16 110.25 2qqj n LYS 326 Ca 0.05 -0.44 -0.32 0.00 -2.02 0.00 0.00 58.31 55.58 2qqj n LYS 326 Cb 0.05 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 2qqj n LYS 326 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qqj s GLU 327 N -2.67 3.94 0.04 1.97 0.41 -1.14 -5.00 118.70 116.24 2qqj s GLU 327 Ca 0.18 0.57 -0.16 0.00 -0.41 0.00 0.00 54.97 55.14 2qqj s GLU 327 Cb 0.18 -2.47 0.03 0.00 -1.78 0.00 0.00 34.13 30.09 2qqj s GLU 327 CO 0.62 0.17 0.36 1.52 -0.49 0.00 0.00 175.26 177.44 2qqj s TYR 328 N -1.99 -0.19 -0.15 1.61 -0.85 -1.26 -3.97 117.35 110.55 2qqj s TYR 328 Ca 0.52 0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 57.15 2qqj s TYR 328 Cb -0.10 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2qqj s TYR 328 CO 0.20 -0.53 0.06 -1.17 -1.52 0.00 0.00 175.55 172.59 2qqj s LEU 329 N -1.95 3.85 -0.05 -3.49 2.96 -0.79 -1.49 118.68 117.72 2qqj s LEU 329 Ca -0.06 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2qqj s LEU 329 Cb -0.01 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 2qqj s LEU 329 CO -0.02 0.27 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.49 2qqj s GLN 330 N -0.19 2.12 -0.09 1.98 0.74 0.12 -0.60 119.66 123.74 2qqj s GLN 330 Ca 0.07 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.80 2qqj s GLN 330 Cb -0.12 -1.80 0.01 0.00 1.10 0.00 0.00 33.01 32.19 2qqj s GLN 330 CO 0.01 0.28 -0.20 0.08 -0.55 0.00 0.00 175.29 174.91 2qqj s VAL 331 N 0.01 1.76 -0.35 1.34 1.01 0.64 -1.13 120.40 123.69 2qqj s VAL 331 Ca -0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2qqj s VAL 331 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2qqj s VAL 331 CO 0.03 0.49 0.23 -0.62 0.00 0.00 0.00 175.10 175.24 2qqj s ASP 332 N 0.50 5.93 0.01 3.32 2.15 0.12 -0.95 116.67 127.74 2qqj s ASP 332 Ca -0.16 -0.60 0.28 0.00 0.43 0.00 0.00 52.55 52.50 2qqj s ASP 332 Cb -0.17 -2.10 1.09 0.00 -0.30 0.00 0.00 42.92 41.44 2qqj s ASP 332 CO 0.06 -0.28 1.83 0.18 -0.17 0.00 0.00 175.17 176.79 2qqj n LEU 333 N 5.08 0.12 0.00 -1.34 4.77 -0.01 -4.81 117.00 120.81 2qqj n LEU 333 Ca -0.12 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2qqj n LEU 333 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qqj n LEU 333 CO 0.37 0.02 0.00 0.54 -1.33 0.00 0.00 177.39 176.98 2qqj n ARG 334 N -1.53 0.00 -4.31 3.23 5.12 -1.26 -4.90 116.66 113.01 2qqj n ARG 334 Ca 0.07 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.75 2qqj n ARG 334 Cb 0.34 -0.01 -0.13 0.00 -1.16 0.00 0.00 32.46 31.51 2qqj n ARG 334 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2qqj s PHE 335 N 0.00 1.76 0.09 -1.55 0.40 -1.26 -5.08 117.98 112.34 2qqj s PHE 335 Ca 0.00 -0.41 -0.34 0.00 -0.60 0.00 0.00 56.93 55.58 2qqj s PHE 335 Cb 0.00 -0.98 -0.13 0.00 0.51 0.00 0.00 43.02 42.42 2qqj s PHE 335 CO 0.00 0.19 1.67 1.28 0.70 0.00 0.00 175.22 179.06 2qqj n LEU 336 N 1.17 3.22 -3.88 -0.37 4.77 -1.26 -4.53 117.00 116.11 2qqj n LEU 336 Ca -0.19 1.05 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2qqj n LEU 336 Cb 0.54 -1.41 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 2qqj n LEU 336 CO 0.22 -0.21 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.84 2qqj s THR 337 N 1.88 0.02 -0.13 -5.08 2.01 0.44 -4.51 115.64 110.28 2qqj s THR 337 Ca 0.83 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 2qqj s THR 337 Cb -0.68 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 2qqj s THR 337 CO 0.42 -0.08 0.88 -0.32 -0.69 0.00 0.00 174.62 174.83 2qqj s MET 338 N -0.23 4.37 -0.21 4.92 1.75 -0.04 -1.40 119.30 128.46 2qqj s MET 338 Ca -0.03 1.15 -0.08 0.00 -1.25 0.00 0.00 55.69 55.48 2qqj s MET 338 Cb -0.02 -3.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.07 2qqj s MET 338 CO -0.00 -0.26 0.09 -1.17 -0.65 0.00 0.00 175.02 173.02 2qqj s LEU 339 N 1.88 3.79 -0.01 4.11 2.96 0.17 -1.74 118.68 129.84 2qqj s LEU 339 Ca 0.42 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2qqj s LEU 339 Cb -0.17 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2qqj s LEU 339 CO 0.16 0.09 0.04 0.35 -1.32 0.00 0.00 176.35 175.67 2qqj n THR 340 N 4.07 0.07 -3.45 3.68 -2.24 -0.39 -1.85 114.28 114.18 2qqj n THR 340 Ca -0.16 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2qqj n THR 340 Cb 0.52 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2qqj n THR 340 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qqj s ALA 341 N -2.13 -1.66 -0.03 6.98 0.00 -1.18 -0.62 121.76 123.12 2qqj s ALA 341 Ca -0.01 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2qqj s ALA 341 Cb 0.01 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.84 2qqj s ALA 341 CO 0.10 -0.70 -0.03 0.42 0.00 0.00 0.00 175.76 175.55 2qqj s ILE 342 N -3.30 0.40 -0.04 0.00 1.01 -0.27 -0.95 121.20 118.05 2qqj s ILE 342 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2qqj s ILE 342 Cb -0.01 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 2qqj s ILE 342 CO -0.09 0.18 -0.20 0.00 0.00 0.00 0.00 174.94 174.83 2qqj s ALA 343 N 0.75 2.43 0.08 9.38 0.00 -0.35 -0.69 121.76 133.36 2qqj s ALA 343 Ca -0.09 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2qqj s ALA 343 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2qqj s ALA 343 CO -0.00 0.51 -0.09 0.95 0.00 0.00 0.00 175.76 177.13 2qqj s THR 344 N -0.57 0.83 0.20 0.00 -4.23 -0.47 -1.32 115.64 110.09 2qqj s THR 344 Ca 0.08 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2qqj s THR 344 Cb -0.11 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 2qqj s THR 344 CO 0.01 -0.56 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.40 2qqj s GLN 345 N -2.66 1.25 0.00 3.99 -0.21 -0.15 -1.38 119.66 120.50 2qqj s GLN 345 Ca 0.03 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.80 2qqj s GLN 345 Cb -0.03 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.39 2qqj s GLN 345 CO -0.01 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2qqj n GLY 346 N -0.35 0.95 3.50 3.09 0.00 -1.25 -1.68 105.19 109.46 2qqj n GLY 346 Ca -0.06 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 2qqj n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqj s ALA 347 N -3.73 -1.73 -0.18 4.61 0.00 -0.33 -4.19 121.76 116.21 2qqj s ALA 347 Ca 0.00 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 2qqj s ALA 347 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2qqj s ALA 347 CO 0.00 -0.46 0.13 0.42 0.00 0.00 0.00 175.76 175.85 2qqj s ILE 348 N -1.80 5.42 0.04 0.00 1.01 -1.26 -1.49 121.20 123.11 2qqj s ILE 348 Ca -0.08 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 2qqj s ILE 348 Cb -0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 2qqj s ILE 348 CO 0.04 0.49 1.52 -0.55 0.00 0.00 0.00 174.94 176.44 2qqj s SER 349 N -0.01 6.73 0.39 3.58 0.15 0.26 -4.29 113.70 120.52 2qqj s SER 349 Ca 0.10 2.30 0.08 0.00 0.70 0.00 0.00 55.95 59.13 2qqj s SER 349 Cb -0.11 -2.56 0.83 0.00 -1.71 0.00 0.00 66.02 62.47 2qqj s SER 349 CO -0.00 -0.80 1.97 0.03 1.20 0.00 0.00 173.24 175.64 2qqj h ARG 350 N 8.04 0.62 0.14 5.44 2.47 -1.93 0.14 114.38 129.30 2qqj h ARG 350 Ca -0.40 -0.04 -0.31 0.00 -1.26 0.00 0.00 59.98 57.97 2qqj h ARG 350 Cb 1.19 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2qqj h ARG 350 CO 0.92 0.41 -1.49 0.93 0.56 0.00 0.00 179.97 181.30 2qqj h GLU 351 N 0.64 0.30 0.00 0.04 3.07 -1.98 -3.39 114.58 113.25 2qqj h GLU 351 Ca 0.29 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 2qqj h GLU 351 Cb 0.31 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2qqj h GLU 351 CO -0.09 1.19 -0.89 0.25 -1.40 0.00 0.00 179.01 178.06 2qqj n THR 352 N -3.51 0.00 -0.90 1.13 -2.24 -1.21 -5.01 114.28 102.55 2qqj n THR 352 Ca -0.16 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2qqj n THR 352 Cb 1.05 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2qqj n THR 352 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2qqj n GLN 353 N -1.49 -0.76 -2.61 -0.78 7.27 0.49 -4.99 117.38 114.50 2qqj n GLN 353 Ca -0.00 0.19 -0.37 0.00 0.07 0.00 0.00 57.00 56.89 2qqj n GLN 353 Cb 0.13 -3.99 -0.05 0.00 2.41 0.00 0.00 30.24 28.74 2qqj n GLN 353 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2qqj s ASN 354 N -2.14 6.97 -0.07 1.69 0.01 -1.26 -4.63 114.94 115.50 2qqj s ASN 354 Ca 0.00 2.00 -0.04 0.00 -0.71 0.00 0.00 52.86 54.10 2qqj s ASN 354 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2qqj s ASN 354 CO 0.00 -0.34 0.13 -0.83 -1.51 0.00 0.00 177.10 174.55 2qqj s GLY 355 N -1.53 2.11 -0.00 0.66 0.00 -1.26 -0.57 107.32 106.73 2qqj s GLY 355 Ca 0.55 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 2qqj s GLY 355 CO 0.27 -0.53 0.01 -0.19 0.00 0.00 0.00 173.10 172.66 2qqj s TYR 356 N -1.12 -0.00 -0.10 1.90 2.02 -0.56 -4.80 117.35 114.69 2qqj s TYR 356 Ca 0.19 0.01 -0.28 0.00 -0.37 0.00 0.00 57.07 56.62 2qqj s TYR 356 Cb -0.12 -0.00 0.07 0.00 -0.40 0.00 0.00 41.96 41.50 2qqj s TYR 356 CO 0.09 -0.01 0.66 1.52 -1.57 0.00 0.00 175.55 176.24 2qqj s TYR 357 N -0.02 -0.65 0.02 2.71 1.13 -1.10 -1.18 117.35 118.25 2qqj s TYR 357 Ca -0.00 1.25 -0.30 0.00 -1.41 0.00 0.00 57.07 56.61 2qqj s TYR 357 Cb -0.00 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2qqj s TYR 357 CO -0.00 -0.53 0.96 0.08 -2.51 0.00 0.00 175.55 173.54 2qqj s VAL 358 N -0.81 4.81 -0.17 -3.49 1.01 -1.23 0.19 120.40 120.71 2qqj s VAL 358 Ca -0.08 2.02 0.16 0.00 0.00 0.00 0.00 61.98 64.08 2qqj s VAL 358 Cb -0.02 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 2qqj s VAL 358 CO 0.07 0.20 0.19 0.29 0.00 0.00 0.00 175.10 175.85 2qqj n LYS 359 N 3.67 0.68 -3.83 2.72 5.02 0.49 -1.45 118.16 125.45 2qqj n LYS 359 Ca 0.05 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 2qqj n LYS 359 Cb 0.51 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2qqj n LYS 359 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qqj s SER 360 N -5.64 -0.02 0.13 4.39 1.04 -1.11 -0.27 113.70 112.21 2qqj s SER 360 Ca -0.09 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.03 2qqj s SER 360 Cb 0.06 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2qqj s SER 360 CO 0.82 -0.50 0.20 -0.72 0.98 0.00 0.00 173.24 174.02 2qqj s TYR 361 N -2.05 0.41 0.25 5.02 -0.85 -0.64 -0.87 117.35 118.63 2qqj s TYR 361 Ca -0.09 -0.81 0.07 0.00 -0.52 0.00 0.00 57.07 55.72 2qqj s TYR 361 Cb -0.03 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 2qqj s TYR 361 CO -0.01 -0.61 0.24 0.15 -1.52 0.00 0.00 175.55 173.80 2qqj s LYS 362 N -3.95 3.05 -0.13 -3.49 1.02 -0.22 -0.73 119.74 115.29 2qqj s LYS 362 Ca 0.14 -0.99 0.01 0.00 0.02 0.00 0.00 55.97 55.15 2qqj s LYS 362 Cb 0.05 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2qqj s LYS 362 CO -0.04 0.39 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.44 2qqj s LEU 363 N -3.89 2.44 -0.07 3.17 2.96 -1.26 -1.21 118.68 120.83 2qqj s LEU 363 Ca 0.34 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2qqj s LEU 363 Cb -0.08 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.08 2qqj s LEU 363 CO 0.26 0.14 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.55 2qqj s GLU 364 N 0.48 2.14 0.18 1.98 2.12 -0.77 -0.49 118.70 124.35 2qqj s GLU 364 Ca -0.12 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.61 2qqj s GLU 364 Cb -0.16 -1.75 -0.05 0.00 0.26 0.00 0.00 34.13 32.43 2qqj s GLU 364 CO 0.05 0.17 -0.05 0.14 -0.54 0.00 0.00 175.26 175.03 2qqj s VAL 365 N 0.28 1.05 -0.23 3.70 -7.23 0.09 -0.70 120.40 117.36 2qqj s VAL 365 Ca -0.11 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.76 2qqj s VAL 365 Cb -0.15 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 34.82 2qqj s VAL 365 CO 0.04 -0.57 0.76 -0.55 -0.31 0.00 0.00 175.10 174.48 2qqj s SER 366 N -3.21 -0.68 0.41 4.85 0.15 -0.75 -0.75 113.70 113.72 2qqj s SER 366 Ca 0.22 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.33 2qqj s SER 366 Cb 0.04 1.19 0.61 0.00 -1.71 0.00 0.00 66.02 66.15 2qqj s SER 366 CO 0.04 -0.30 1.70 0.71 1.20 0.00 0.00 173.24 176.59 2qqj h THR 367 N 3.72 0.00 0.00 6.45 1.35 -1.87 0.12 112.91 122.68 2qqj h THR 367 Ca -0.28 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2qqj h THR 367 Cb 1.16 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2qqj h THR 367 CO 0.13 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.94 2qqj n ASN 368 N -2.93 0.01 0.00 5.36 0.23 -1.26 -4.69 115.26 111.98 2qqj n ASN 368 Ca 0.04 -0.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2qqj n ASN 368 Cb 0.47 0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 2qqj n ASN 368 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qqj n GLY 369 N 0.24 1.26 0.27 4.83 0.00 -1.26 -4.85 105.19 105.68 2qqj n GLY 369 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qqj n GLY 369 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qqj n GLU 370 N -2.00 0.31 -3.52 1.61 1.02 -1.26 -4.98 120.64 111.82 2qqj n GLU 370 Ca 0.00 0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 2qqj n GLU 370 Cb 0.00 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 2qqj n GLU 370 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qqj s ASP 371 N -5.62 6.10 0.11 1.62 1.01 -1.26 -5.07 116.67 113.55 2qqj s ASP 371 Ca -0.18 0.02 0.10 0.00 0.71 0.00 0.00 52.55 53.20 2qqj s ASP 371 Cb 0.06 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 2qqj s ASP 371 CO 0.27 -0.12 -0.24 0.26 0.21 0.00 0.00 175.17 175.55 2qqj s TRP 372 N 1.86 2.40 -0.07 4.23 0.52 -1.26 -4.34 118.94 122.28 2qqj s TRP 372 Ca 0.09 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.89 2qqj s TRP 372 Cb -0.16 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 2qqj s TRP 372 CO 0.11 0.32 -0.11 1.41 0.02 0.00 0.00 176.95 178.69 2qqj s MET 373 N -1.92 1.60 -0.05 4.98 1.75 0.07 -4.95 119.30 120.77 2qqj s MET 373 Ca 0.15 -0.37 -0.28 0.00 -1.25 0.00 0.00 55.69 53.94 2qqj s MET 373 Cb -0.10 -1.36 -0.03 0.00 2.84 0.00 0.00 34.83 36.18 2qqj s MET 373 CO 0.07 -0.00 0.89 0.08 -0.65 0.00 0.00 175.02 175.40 2qqj s VAL 374 N 0.76 4.91 0.22 10.11 1.01 -1.26 -0.74 120.40 135.41 2qqj s VAL 374 Ca -0.13 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 2qqj s VAL 374 Cb -0.15 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2qqj s VAL 374 CO 0.03 0.15 1.50 -0.47 0.00 0.00 0.00 175.10 176.31 2qqj s TYR 375 N 1.20 3.02 0.20 5.22 5.04 0.36 -4.91 117.35 127.48 2qqj s TYR 375 Ca 0.46 0.86 0.09 0.00 -2.44 0.00 0.00 57.07 56.03 2qqj s TYR 375 Cb -0.19 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.20 2qqj s TYR 375 CO 0.22 -3.01 -0.06 1.03 -1.34 0.00 0.00 175.55 172.39 2qqj s ARG 376 N 0.23 2.17 -0.27 4.97 0.52 -1.26 -0.57 118.95 124.73 2qqj s ARG 376 Ca 0.64 -1.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2qqj s ARG 376 Cb -0.43 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 32.93 2qqj s ARG 376 CO 0.39 0.42 0.01 -1.58 0.02 0.00 0.00 175.30 174.56 2qqj s HIS 377 N -1.86 2.32 0.00 -0.53 5.65 -0.19 -4.62 115.29 116.07 2qqj s HIS 377 Ca 0.27 -1.88 0.00 0.00 0.25 0.00 0.00 55.06 53.70 2qqj s HIS 377 Cb -0.08 -1.79 0.00 0.00 -1.18 0.00 0.00 32.58 29.53 2qqj s HIS 377 CO 0.17 -0.81 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 2qqj n GLY 378 N 4.68 2.06 0.12 1.59 0.00 -1.26 -3.63 105.19 108.76 2qqj n GLY 378 Ca -0.07 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.53 2qqj n GLY 378 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqj n LYS 379 N 13.26 0.26 -4.45 1.61 5.02 -1.26 -4.88 118.16 127.71 2qqj n LYS 379 Ca 0.00 0.28 -0.22 0.00 -2.02 0.00 0.00 58.31 56.35 2qqj n LYS 379 Cb 0.00 -1.84 -0.11 0.00 -0.02 0.00 0.00 35.03 33.07 2qqj n LYS 379 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qqj s ASN 380 N -4.52 2.70 0.21 4.39 6.03 -1.24 -5.10 114.94 117.41 2qqj s ASN 380 Ca 0.09 -1.28 -0.31 0.00 -1.03 0.00 0.00 52.86 50.33 2qqj s ASN 380 Cb 0.11 -0.16 -0.15 0.00 -3.03 0.00 0.00 41.25 38.03 2qqj s ASN 380 CO 0.55 -0.46 1.06 1.41 -2.03 0.00 0.00 177.10 177.63 2qqj n HIS 381 N -0.66 1.13 -2.45 1.54 8.25 -1.26 -1.02 115.22 120.76 2qqj n HIS 381 Ca -0.04 0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 57.71 2qqj n HIS 381 Cb 0.65 -2.24 -0.03 0.00 1.12 0.00 0.00 29.99 29.49 2qqj n HIS 381 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2qqj s LYS 382 N -0.81 4.33 -0.44 -0.41 2.47 0.26 -4.50 119.74 120.63 2qqj s LYS 382 Ca 0.68 1.67 -0.13 0.00 -1.56 0.00 0.00 55.97 56.63 2qqj s LYS 382 Cb -0.81 -3.60 0.06 0.00 -1.46 0.00 0.00 37.83 32.02 2qqj s LYS 382 CO 0.55 -0.50 0.33 0.08 0.16 0.00 0.00 175.35 175.96 2qqj s VAL 383 N 2.49 4.92 -0.03 4.02 1.01 -1.26 -4.51 120.40 127.04 2qqj s VAL 383 Ca 0.56 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2qqj s VAL 383 Cb -0.24 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2qqj s VAL 383 CO 0.20 -0.48 1.07 -0.36 0.00 0.00 0.00 175.10 175.53 2qqj s PHE 384 N 1.58 3.48 0.02 5.22 0.08 0.09 -4.90 117.98 123.55 2qqj s PHE 384 Ca 0.04 1.50 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 2qqj s PHE 384 Cb -0.23 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 2qqj s PHE 384 CO 0.06 -0.57 1.09 -0.65 -0.10 0.00 0.00 175.22 175.06 2qqj s GLN 385 N 1.54 4.48 0.00 0.44 -1.52 -1.26 -1.62 119.66 121.72 2qqj s GLN 385 Ca 0.53 1.59 0.00 0.00 -1.95 0.00 0.00 55.36 55.53 2qqj s GLN 385 Cb -0.23 -3.42 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 2qqj s GLN 385 CO 0.24 -0.18 0.00 0.00 -0.25 0.00 0.00 175.29 175.11 2qqj n ALA 386 N 4.02 0.00 -2.09 6.09 0.00 0.62 -4.92 120.51 124.24 2qqj n ALA 386 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 2qqj n ALA 386 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2qqj n ALA 386 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qqj s ASN 387 N 0.44 6.03 0.00 0.00 -0.87 -0.53 -4.91 114.94 115.10 2qqj s ASN 387 Ca 0.00 1.02 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 2qqj s ASN 387 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 2qqj s ASN 387 CO 0.00 -0.83 0.63 0.59 -2.57 0.00 0.00 177.10 174.92 2qqj n ASN 388 N -2.52 0.80 -3.30 -1.22 3.02 -1.26 -4.33 115.26 106.44 2qqj n ASN 388 Ca 0.03 -1.36 -0.05 0.00 -0.03 0.00 0.00 54.58 53.17 2qqj n ASN 388 Cb 0.56 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 2qqj n ASN 388 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2qqj s ASP 389 N -0.36 -0.04 0.00 6.41 1.47 -1.26 -5.07 116.67 117.82 2qqj s ASP 389 Ca 0.00 -0.80 0.26 0.00 1.18 0.00 0.00 52.55 53.20 2qqj s ASP 389 Cb 0.00 0.64 0.75 0.00 -0.34 0.00 0.00 42.92 43.97 2qqj s ASP 389 CO 0.00 -1.25 1.57 0.00 0.68 0.00 0.00 175.17 176.17 2qqj n ALA 390 N -0.59 3.19 -0.04 2.11 0.00 -1.26 -4.18 120.51 119.74 2qqj n ALA 390 Ca -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2qqj n ALA 390 Cb 0.60 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 2qqj n ALA 390 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qqj n THR 391 N -1.29 0.51 -2.95 0.00 -2.24 -1.26 -3.09 114.28 103.96 2qqj n THR 391 Ca 0.08 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 2qqj n THR 391 Cb 0.33 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 2qqj n THR 391 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qqj s GLU 392 N -2.18 4.24 -0.01 -0.78 0.41 -1.26 -4.91 118.70 114.20 2qqj s GLU 392 Ca -0.10 0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 55.20 2qqj s GLU 392 Cb 0.03 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.85 2qqj s GLU 392 CO 0.23 0.15 0.76 0.08 -0.49 0.00 0.00 175.26 175.99 2qqj s VAL 393 N -1.90 4.90 -0.18 2.63 1.01 -1.26 -4.46 120.40 121.14 2qqj s VAL 393 Ca 0.54 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 64.09 2qqj s VAL 393 Cb -0.12 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2qqj s VAL 393 CO 0.18 0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.76 2qqj s VAL 394 N 0.46 2.92 -0.21 2.92 1.01 -0.48 -4.97 120.40 122.06 2qqj s VAL 394 Ca 0.39 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2qqj s VAL 394 Cb -0.19 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2qqj s VAL 394 CO 0.21 0.49 0.09 -0.22 0.00 0.00 0.00 175.10 175.67 2qqj s LEU 395 N 1.00 3.82 -0.21 3.92 2.96 -1.26 -1.36 118.68 127.55 2qqj s LEU 395 Ca -0.01 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2qqj s LEU 395 Cb -0.15 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 2qqj s LEU 395 CO -0.02 0.11 -0.08 0.20 -1.32 0.00 0.00 176.35 175.25 2qqj s ASN 396 N 0.74 4.06 0.14 3.68 0.01 0.14 -5.00 114.94 118.71 2qqj s ASN 396 Ca 0.04 -0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 2qqj s ASN 396 Cb -0.13 -1.68 -0.07 0.00 0.41 0.00 0.00 41.25 39.78 2qqj s ASN 396 CO 0.02 -0.00 0.98 -0.54 -1.51 0.00 0.00 177.10 176.05 2qqj s LYS 397 N 1.37 4.70 0.07 -0.60 -0.14 -1.26 -1.12 119.74 122.76 2qqj s LYS 397 Ca 0.05 1.51 -0.31 0.00 -1.36 0.00 0.00 55.97 55.86 2qqj s LYS 397 Cb -0.14 -3.35 -0.06 0.00 -1.68 0.00 0.00 37.83 32.60 2qqj s LYS 397 CO -0.05 0.23 1.24 -0.51 -0.76 0.00 0.00 175.35 175.50 2qqj s LEU 398 N -0.21 4.37 0.24 3.17 1.02 0.20 -4.91 118.68 122.56 2qqj s LEU 398 Ca 0.47 2.07 -0.04 0.00 0.02 0.00 0.00 54.13 56.65 2qqj s LEU 398 Cb -0.25 -3.58 0.26 0.00 0.02 0.00 0.00 46.19 42.65 2qqj s LEU 398 CO 0.31 -0.51 1.73 1.12 0.02 0.00 0.00 176.35 179.02 2qqj h HIS 399 N 6.83 0.93 -3.47 0.29 2.07 -1.96 -3.35 115.15 116.49 2qqj h HIS 399 Ca -0.41 -0.14 -0.63 0.00 -2.85 0.00 0.00 60.37 56.34 2qqj h HIS 399 Cb 1.21 -0.25 -0.40 0.00 2.57 0.00 0.00 27.41 30.54 2qqj h HIS 399 CO 0.67 0.84 -0.73 0.00 -3.07 0.00 0.00 177.93 175.64 2qqj s ALA 400 N -5.00 2.40 1.01 6.11 0.00 -1.26 -5.13 121.76 119.88 2qqj s ALA 400 Ca -0.10 -2.25 -0.14 0.00 0.00 0.00 0.00 51.96 49.47 2qqj s ALA 400 Cb 0.14 -1.85 0.08 0.00 0.00 0.00 0.00 23.12 21.49 2qqj s ALA 400 CO 0.82 -1.70 0.40 -0.35 0.00 0.00 0.00 175.76 174.93 2qqj n PRO 401 N 4.42 -0.77 -3.72 0.00 -0.04 -1.26 -5.01 135.00 128.62 2qqj n PRO 401 Ca 0.02 -0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 2qqj n PRO 401 Cb 0.42 -1.88 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 2qqj n PRO 401 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qqj s LEU 402 N -1.96 0.38 -0.21 1.53 0.20 -0.77 -4.96 118.68 112.89 2qqj s LEU 402 Ca 0.58 0.42 -0.21 0.00 0.69 0.00 0.00 54.13 55.60 2qqj s LEU 402 Cb -0.19 0.52 -0.02 0.00 -0.43 0.00 0.00 46.19 46.06 2qqj s LEU 402 CO 0.66 -0.18 0.66 -0.22 -0.29 0.00 0.00 176.35 176.98 2qqj s LEU 403 N 1.51 4.13 0.29 -0.68 2.96 -1.26 0.42 118.68 126.05 2qqj s LEU 403 Ca -0.06 0.86 -0.20 0.00 -0.22 0.00 0.00 54.13 54.51 2qqj s LEU 403 Cb -0.11 -2.93 0.05 0.00 0.50 0.00 0.00 46.19 43.69 2qqj s LEU 403 CO -0.07 -0.31 0.82 0.28 -1.32 0.00 0.00 176.35 175.75 2qqj s THR 404 N 2.06 0.00 0.01 3.68 -1.32 -0.49 -4.27 115.64 115.32 2qqj s THR 404 Ca 0.29 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2qqj s THR 404 Cb -0.16 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 2qqj s THR 404 CO 0.10 0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.37 2qqj n ARG 405 N -0.52 0.00 -3.93 7.08 0.63 -0.99 -0.42 116.66 118.51 2qqj n ARG 405 Ca -0.06 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.51 2qqj n ARG 405 Cb 0.60 -0.43 -0.08 0.00 0.45 0.00 0.00 32.46 33.00 2qqj n ARG 405 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2qqj s PHE 406 N -2.00 3.44 -0.11 -0.14 0.40 0.39 -0.83 117.98 119.12 2qqj s PHE 406 Ca 0.00 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.72 2qqj s PHE 406 Cb 0.00 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2qqj s PHE 406 CO 0.00 0.50 -0.18 0.08 0.70 0.00 0.00 175.22 176.32 2qqj s VAL 407 N -0.46 1.71 -0.13 -0.44 1.01 -0.13 -1.80 120.40 120.16 2qqj s VAL 407 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2qqj s VAL 407 Cb -0.12 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2qqj s VAL 407 CO 0.02 0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 175.33 2qqj s ARG 408 N 0.82 3.34 -0.27 2.72 0.52 0.12 -0.26 118.95 125.94 2qqj s ARG 408 Ca -0.09 -0.71 -0.10 0.00 -0.52 0.00 0.00 55.73 54.31 2qqj s ARG 408 Cb -0.16 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 2qqj s ARG 408 CO 0.00 0.20 0.16 0.42 0.02 0.00 0.00 175.30 176.10 2qqj s ILE 409 N 0.37 5.09 -0.54 1.52 -1.09 0.23 -1.85 121.20 124.94 2qqj s ILE 409 Ca -0.12 0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2qqj s ILE 409 Cb -0.16 -3.41 0.14 0.00 -1.58 0.00 0.00 42.46 37.45 2qqj s ILE 409 CO 0.06 0.29 0.32 -0.13 -1.23 0.00 0.00 174.94 174.24 2qqj s ARG 410 N 1.60 2.22 0.28 2.79 0.52 -0.35 -1.89 118.95 124.13 2qqj s ARG 410 Ca 0.07 -2.38 -0.30 0.00 -0.52 0.00 0.00 55.73 52.59 2qqj s ARG 410 Cb -0.15 -3.55 -0.12 0.00 0.52 0.00 0.00 34.95 31.64 2qqj s ARG 410 CO 0.08 -1.12 1.45 -2.30 0.02 0.00 0.00 175.30 173.44 2qqj n PRO 411 N 3.63 2.31 -0.07 3.54 -0.02 -1.25 -1.06 135.00 142.08 2qqj n PRO 411 Ca 0.05 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 2qqj n PRO 411 Cb 0.37 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 2qqj n PRO 411 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qqj n GLN 412 N 1.70 0.69 -4.09 -0.52 1.13 -0.05 -4.24 117.38 112.00 2qqj n GLN 412 Ca 0.09 0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 2qqj n GLN 412 Cb 0.34 -1.29 -0.10 0.00 0.11 0.00 0.00 30.24 29.30 2qqj n GLN 412 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qqj s THR 413 N -2.29 0.41 0.17 5.09 -4.23 -1.18 -4.79 115.64 108.82 2qqj s THR 413 Ca -0.17 -1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 58.61 2qqj s THR 413 Cb 0.05 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.79 2qqj s THR 413 CO 0.36 -0.74 0.57 -1.66 -0.54 0.00 0.00 174.62 172.60 2qqj s TRP 414 N -2.85 -0.36 -0.25 3.99 -2.14 -1.26 -0.38 118.94 115.69 2qqj s TRP 414 Ca 0.01 0.08 -0.05 0.00 2.66 0.00 0.00 56.10 58.79 2qqj s TRP 414 Cb 0.00 0.49 -0.00 0.00 -3.10 0.00 0.00 33.47 30.86 2qqj s TRP 414 CO -0.05 -0.88 0.02 -1.58 -2.66 0.00 0.00 176.95 171.80 2qqj s HIS 415 N -3.80 3.06 0.00 1.66 5.65 0.13 -4.79 115.29 117.20 2qqj s HIS 415 Ca 0.04 -0.92 0.00 0.00 0.25 0.00 0.00 55.06 54.43 2qqj s HIS 415 Cb -0.01 -2.17 0.00 0.00 -1.18 0.00 0.00 32.58 29.21 2qqj s HIS 415 CO -0.09 -0.54 0.00 0.43 -0.65 0.00 0.00 174.74 173.89 2qqj n SER 416 N 4.83 0.00 -3.57 9.88 7.64 -1.26 -2.72 113.62 128.41 2qqj n SER 416 Ca -0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 2qqj n SER 416 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2qqj n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qqj s GLY 417 N 0.00 -0.36 0.02 0.23 0.00 -1.26 -5.07 107.32 100.88 2qqj s GLY 417 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 44.72 45.68 2qqj s GLY 417 CO 0.00 0.41 1.27 -0.42 0.00 0.00 0.00 173.10 174.36 2qqj s ILE 418 N -2.69 3.93 -0.13 0.90 1.01 -1.26 -3.35 121.20 119.62 2qqj s ILE 418 Ca 0.08 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.99 2qqj s ILE 418 Cb -0.01 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2qqj s ILE 418 CO -0.06 0.05 0.31 0.00 0.00 0.00 0.00 174.94 175.24 2qqj s ALA 419 N 1.75 -0.75 -0.02 9.38 0.00 -1.26 -4.45 121.76 126.41 2qqj s ALA 419 Ca 0.60 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.69 2qqj s ALA 419 Cb -0.29 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2qqj s ALA 419 CO 0.27 -0.20 -0.11 -0.51 0.00 0.00 0.00 175.76 175.21 2qqj s LEU 420 N 0.96 1.93 0.11 0.00 1.43 -0.28 -3.49 118.68 119.35 2qqj s LEU 420 Ca -0.07 -0.20 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2qqj s LEU 420 Cb -0.07 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2qqj s LEU 420 CO -0.07 0.11 -0.25 -0.13 0.23 0.00 0.00 176.35 176.24 2qqj s ARG 421 N -0.08 1.38 -0.03 1.70 0.52 -0.67 -1.29 118.95 120.49 2qqj s ARG 421 Ca 0.01 -1.27 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 2qqj s ARG 421 Cb -0.06 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.63 2qqj s ARG 421 CO 0.00 0.43 0.19 -1.17 0.02 0.00 0.00 175.30 174.77 2qqj s LEU 422 N -1.91 1.32 0.02 2.53 2.96 0.20 -0.98 118.68 122.82 2qqj s LEU 422 Ca 0.12 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2qqj s LEU 422 Cb -0.10 0.80 -0.02 0.00 0.50 0.00 0.00 46.19 47.37 2qqj s LEU 422 CO 0.05 -0.29 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.03 2qqj s GLU 423 N -0.91 0.44 -0.00 1.98 2.56 -0.44 -1.49 118.70 120.84 2qqj s GLU 423 Ca -0.10 -0.54 0.05 0.00 0.00 0.00 0.00 54.97 54.37 2qqj s GLU 423 Cb -0.05 -0.26 -0.03 0.00 2.00 0.00 0.00 34.13 35.79 2qqj s GLU 423 CO 0.02 0.05 -0.14 -0.51 -0.56 0.00 0.00 175.26 174.12 2qqj s LEU 424 N -1.09 2.79 0.07 2.70 1.43 -1.26 -1.21 118.68 122.12 2qqj s LEU 424 Ca -0.07 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2qqj s LEU 424 Cb -0.07 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2qqj s LEU 424 CO 0.00 0.30 -0.21 -0.36 0.23 0.00 0.00 176.35 176.31 2qqj s PHE 425 N -0.87 1.82 -1.57 0.29 0.40 -0.12 -0.57 117.98 117.36 2qqj s PHE 425 Ca 0.14 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2qqj s PHE 425 Cb -0.11 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.38 2qqj s PHE 425 CO 0.04 0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2qqj n GLY 426 N 1.45 -0.60 3.60 4.36 0.00 -0.34 -1.26 105.19 112.40 2qqj n GLY 426 Ca -0.18 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 2qqj n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqj s ARG 428 N -3.36 4.57 0.42 0.00 0.52 -1.26 -0.86 118.95 118.98 2qqj s ARG 428 Ca 0.07 1.17 0.15 0.00 -0.52 0.00 0.00 55.73 56.60 2qqj s ARG 428 Cb -0.02 -3.25 1.04 0.00 0.52 0.00 0.00 34.95 33.25 2qqj s ARG 428 CO -0.05 0.56 1.92 0.28 0.02 0.00 0.00 175.30 178.03 2qqj h VAL 429 N 3.29 0.80 -0.01 3.52 2.07 -1.93 -0.77 116.25 123.23 2qqj h VAL 429 Ca -0.47 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2qqj h VAL 429 Cb 1.21 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2qqj h VAL 429 CO 0.66 0.08 -0.12 0.35 0.02 0.00 0.00 177.57 178.56 2qqj n THR 430 N -4.48 0.00 0.23 2.57 -2.24 -1.26 -3.17 114.28 105.93 2qqj n THR 430 Ca 0.14 -0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 2qqj n THR 430 Cb 0.53 0.02 0.56 0.00 -2.10 0.00 0.00 70.33 69.34 2qqj n THR 430 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qqj h ASP 431 N 0.81 0.03 -4.25 3.42 3.32 -1.44 -3.43 116.42 114.88 2qqj h ASP 431 Ca 0.00 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2qqj h ASP 431 Cb 0.38 -0.01 0.10 0.00 0.22 0.00 0.00 39.33 40.02 2qqj h ASP 431 CO 0.00 0.11 0.36 0.00 -1.72 0.00 0.00 179.24 177.99 2qqj s ALA 432 N -4.87 2.49 0.24 3.45 0.00 -1.19 -4.94 121.76 116.95 2qqj s ALA 432 Ca -0.05 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 2qqj s ALA 432 Cb 0.16 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 2qqj s ALA 432 CO 0.69 -1.30 1.55 -2.14 0.00 0.00 0.00 175.76 174.56 2qqj s PRO 433 N -4.42 4.19 -1.18 0.00 0.02 -1.26 -3.28 135.00 129.07 2qqj s PRO 433 Ca 0.64 2.45 -0.12 0.00 0.02 0.00 0.00 61.00 63.99 2qqj s PRO 433 Cb -0.18 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 2qqj s PRO 433 CO 0.46 -0.57 0.77 0.00 -0.33 0.00 0.00 177.00 177.33 2qqj n SER 435 N -2.89 1.47 -4.78 0.00 2.88 -1.20 -3.95 113.62 105.15 2qqj n SER 435 Ca -0.15 -2.26 -0.36 0.00 -1.33 0.00 0.00 58.87 54.77 2qqj n SER 435 Cb 0.62 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2qqj n SER 435 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2qqj s ASN 436 N -2.82 6.07 -0.09 -3.46 0.01 -0.10 -3.98 114.94 110.56 2qqj s ASN 436 Ca 0.33 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.35 2qqj s ASN 436 Cb 0.37 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 2qqj s ASN 436 CO -0.10 -0.98 1.10 -0.04 -1.51 0.00 0.00 177.10 175.57 2qqj s MET 437 N -3.01 4.37 0.00 -0.60 -1.94 -1.26 -1.16 119.30 115.70 2qqj s MET 437 Ca 0.67 1.52 0.27 0.00 -1.71 0.00 0.00 55.69 56.44 2qqj s MET 437 Cb -0.24 -3.56 1.01 0.00 2.01 0.00 0.00 34.83 34.05 2qqj s MET 437 CO 0.28 -0.41 1.72 1.28 -0.01 0.00 0.00 175.02 177.88 2qqj n LEU 438 N 5.24 1.48 0.00 -0.03 4.77 0.33 -4.90 117.00 123.90 2qqj n LEU 438 Ca 0.10 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2qqj n LEU 438 Cb 0.47 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2qqj n LEU 438 CO 0.54 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2qqj n GLY 439 N 1.16 0.26 0.06 -0.72 0.00 -1.26 -4.48 105.19 100.21 2qqj n GLY 439 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2qqj n GLY 439 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qqj h MET 440 N 0.00 -0.05 -0.22 1.61 2.86 -1.86 -0.89 114.93 116.37 2qqj h MET 440 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2qqj h MET 440 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2qqj h MET 440 CO 0.00 0.13 -0.12 1.25 1.06 0.00 0.00 176.91 179.22 2qqj h LEU 441 N -0.22 0.50 -0.48 1.22 6.46 -1.84 -3.30 115.31 117.65 2qqj h LEU 441 Ca -0.01 -0.42 -0.06 0.00 -0.12 0.00 0.00 57.88 57.27 2qqj h LEU 441 Cb 0.20 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2qqj h LEU 441 CO 0.01 0.81 -0.30 0.77 -0.62 0.00 0.00 178.44 179.11 2qqj h SER 442 N 0.18 0.00 0.00 1.25 4.64 -1.92 -3.46 113.55 114.25 2qqj h SER 442 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2qqj h SER 442 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2qqj h SER 442 CO 0.04 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 2qqj n GLY 443 N 0.74 0.74 0.32 -0.77 0.00 -0.38 -4.93 105.19 100.91 2qqj n GLY 443 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2qqj n GLY 443 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qqj h LEU 444 N 0.00 0.08 -8.93 0.99 5.85 -1.83 -3.33 115.31 108.13 2qqj h LEU 444 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 2qqj h LEU 444 Cb 0.00 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 2qqj h LEU 444 CO 0.00 0.05 0.57 -0.63 -0.34 0.00 0.00 178.44 178.10 2qqj s ILE 445 N -5.12 4.69 0.65 4.05 1.01 -0.95 -5.01 121.20 120.51 2qqj s ILE 445 Ca -0.06 1.41 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 2qqj s ILE 445 Cb 0.18 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 2qqj s ILE 445 CO 0.70 -0.33 1.05 0.00 0.00 0.00 0.00 174.94 176.37 2qqj s ALA 446 N 3.21 2.74 0.35 9.38 0.00 -1.25 -4.78 121.76 131.40 2qqj s ALA 446 Ca 0.37 0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.62 2qqj s ALA 446 Cb -0.13 -3.18 0.89 0.00 0.00 0.00 0.00 23.12 20.69 2qqj s ALA 446 CO 0.13 -1.03 1.79 -0.44 0.00 0.00 0.00 175.76 176.21 2qqj h ASP 447 N -0.28 0.64 0.10 0.00 3.32 -1.94 -0.87 116.42 117.38 2qqj h ASP 447 Ca -0.45 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 2qqj h ASP 447 Cb 1.21 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2qqj h ASP 447 CO 0.57 0.20 -0.05 0.77 -1.72 0.00 0.00 179.24 179.01 2qqj h SER 448 N 0.61 0.00 0.64 6.45 4.64 -2.00 -1.75 113.55 122.13 2qqj h SER 448 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2qqj h SER 448 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2qqj h SER 448 CO -0.33 0.05 -0.00 0.00 -0.87 0.00 0.00 176.83 175.68 2qqj n GLN 449 N -4.04 0.36 -4.31 4.77 6.02 -0.33 -4.79 117.38 115.05 2qqj n GLN 449 Ca -0.03 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.62 2qqj n GLN 449 Cb 0.14 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.77 2qqj n GLN 449 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qqj s ILE 450 N -2.64 3.57 0.24 5.09 1.01 -0.66 -1.04 121.20 126.78 2qqj s ILE 450 Ca 0.26 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2qqj s ILE 450 Cb 0.20 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2qqj s ILE 450 CO 0.47 0.47 0.31 -0.94 0.00 0.00 0.00 174.94 175.26 2qqj s SER 451 N 0.75 0.26 0.16 3.58 1.04 -0.72 -4.87 113.70 113.90 2qqj s SER 451 Ca -0.02 -1.26 -0.13 0.00 0.48 0.00 0.00 55.95 55.02 2qqj s SER 451 Cb -0.15 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2qqj s SER 451 CO 0.02 -1.02 0.36 0.00 0.98 0.00 0.00 173.24 173.58 2qqj s ALA 452 N -3.92 -0.45 0.27 5.32 0.00 -1.26 -0.10 121.76 121.61 2qqj s ALA 452 Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2qqj s ALA 452 Cb 0.03 0.78 0.35 0.00 0.00 0.00 0.00 23.12 24.28 2qqj s ALA 452 CO 0.13 -0.67 1.82 0.66 0.00 0.00 0.00 175.76 177.70 2qqj h SER 453 N 2.44 0.86 -5.05 0.00 4.64 -1.69 -3.46 113.55 111.29 2qqj h SER 453 Ca -0.31 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2qqj h SER 453 Cb 1.24 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 63.00 2qqj h SER 453 CO 0.46 0.81 0.11 -0.94 -0.87 0.00 0.00 176.83 176.40 2qqj s SER 454 N -6.52 -0.35 0.03 4.97 1.04 -1.26 -5.01 113.70 106.60 2qqj s SER 454 Ca -0.10 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 2qqj s SER 454 Cb 0.16 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 2qqj s SER 454 CO 0.81 -1.06 0.05 0.42 0.98 0.00 0.00 173.24 174.44 2qqj s THR 455 N -3.84 0.12 0.07 2.02 -4.23 -1.26 -4.28 115.64 104.24 2qqj s THR 455 Ca 0.07 -1.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 2qqj s THR 455 Cb -0.02 -0.66 -0.21 0.00 1.34 0.00 0.00 72.50 72.95 2qqj s THR 455 CO -0.05 -0.57 1.09 0.06 -0.54 0.00 0.00 174.62 174.62 2qqj h GLN 456 N 4.05 0.00 0.00 3.99 3.07 -1.59 -3.33 115.11 121.30 2qqj h GLN 456 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 2qqj h GLN 456 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2qqj h GLN 456 CO 0.47 0.84 0.00 -1.91 0.09 0.00 0.00 178.83 178.32 2qqj n GLU 457 N -3.26 0.00 -2.64 0.06 2.13 -1.26 -4.97 120.64 110.71 2qqj n GLU 457 Ca -0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.76 2qqj n GLU 457 Cb 0.97 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.68 2qqj n GLU 457 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2qqj n LEU 459 N 0.00 -0.03 -4.60 4.31 4.77 -1.26 -5.07 117.00 115.12 2qqj n LEU 459 Ca 0.00 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 2qqj n LEU 459 Cb 0.00 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 2qqj n LEU 459 CO 0.00 0.02 0.59 -1.66 -1.33 0.00 0.00 177.39 175.01 2qqj s TRP 460 N -3.17 1.76 -0.32 -1.77 1.48 -1.26 -5.02 118.94 110.64 2qqj s TRP 460 Ca 0.00 1.20 -0.12 0.00 -1.06 0.00 0.00 56.10 56.12 2qqj s TRP 460 Cb -0.00 -3.18 -0.03 0.00 -1.16 0.00 0.00 33.47 29.10 2qqj s TRP 460 CO 0.03 -3.24 0.22 0.45 -4.06 0.00 0.00 176.95 170.36 2qqj s SER 461 N -2.96 6.03 0.56 -2.66 0.15 -1.26 -4.97 113.70 108.59 2qqj s SER 461 Ca 0.66 -0.29 0.30 0.00 0.70 0.00 0.00 55.95 57.32 2qqj s SER 461 Cb -0.22 -2.13 1.46 0.00 -1.71 0.00 0.00 66.02 63.43 2qqj s SER 461 CO 0.61 -0.17 1.90 -0.65 1.20 0.00 0.00 173.24 176.12 2qqj h PRO 462 N 8.45 0.00 0.00 5.44 0.11 -1.89 0.94 132.00 145.05 2qqj h PRO 462 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2qqj h PRO 462 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qqj h PRO 462 CO 0.61 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.17 2qqj h SER 463 N 0.00 0.00 -0.29 -2.05 0.02 -1.93 -2.42 113.55 106.88 2qqj h SER 463 Ca 0.32 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.36 2qqj h SER 463 Cb 1.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2qqj h SER 463 CO -0.00 0.00 0.26 0.00 -1.14 0.00 0.00 176.83 175.95 2qqj h ALA 464 N 2.00 2.07 -0.14 3.77 0.00 -1.13 -2.59 119.26 123.24 2qqj h ALA 464 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qqj h ALA 464 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qqj h ALA 464 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2qqj n ALA 465 N -2.45 2.53 -2.70 0.00 0.00 -0.91 -2.35 120.51 114.63 2qqj n ALA 465 Ca 0.04 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 2qqj n ALA 465 Cb 0.41 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 2qqj n ALA 465 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qqj s ARG 466 N -1.81 4.38 -0.38 0.00 0.52 -0.97 -1.20 118.95 119.48 2qqj s ARG 466 Ca 0.29 0.88 -0.45 0.00 -0.52 0.00 0.00 55.73 55.93 2qqj s ARG 466 Cb 0.15 -3.49 -0.19 0.00 0.52 0.00 0.00 34.95 31.93 2qqj s ARG 466 CO 0.23 -0.07 1.54 -0.11 0.02 0.00 0.00 175.30 176.91 2qqj n LEU 467 N 4.28 1.23 0.00 2.53 7.94 -0.73 -2.73 117.00 129.52 2qqj n LEU 467 Ca 0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2qqj n LEU 467 Cb 0.51 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2qqj n LEU 467 CO 0.47 -0.94 0.00 0.52 -1.11 0.00 0.00 177.39 176.33 2qqj n VAL 468 N 3.69 0.00 0.14 1.96 0.31 -1.26 -4.39 118.33 118.78 2qqj n VAL 468 Ca 0.28 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2qqj n VAL 468 Cb -0.00 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.12 2qqj n VAL 468 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2qqj h SER 469 N 0.00 0.00 -3.40 4.52 4.64 -1.88 -3.43 113.55 114.00 2qqj h SER 469 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2qqj h SER 469 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2qqj h SER 469 CO 0.00 0.58 0.03 -0.55 -0.87 0.00 0.00 176.83 176.03 2qqj s SER 470 N -6.76 7.07 -0.03 4.97 0.15 -1.10 -4.98 113.70 113.02 2qqj s SER 470 Ca -0.01 1.33 0.16 0.00 0.70 0.00 0.00 55.95 58.14 2qqj s SER 470 Cb 0.12 -2.39 0.50 0.00 -1.71 0.00 0.00 66.02 62.55 2qqj s SER 470 CO 0.75 0.16 1.42 0.54 1.20 0.00 0.00 173.24 177.31 2qqj n ARG 471 N 1.21 2.94 0.00 5.44 5.12 -1.26 -4.83 116.66 125.28 2qqj n ARG 471 Ca -0.06 -2.44 0.00 0.00 -1.93 0.00 0.00 57.85 53.42 2qqj n ARG 471 Cb 0.51 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2qqj n ARG 471 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2qqj n SER 472 N 0.96 0.00 0.00 0.55 3.41 -1.26 -4.18 113.62 113.09 2qqj n SER 472 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2qqj n SER 472 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2qqj n SER 472 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qqj n GLY 473 N 4.99 3.38 3.70 5.00 0.00 -0.99 -1.52 105.19 119.75 2qqj n GLY 473 Ca 0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2qqj n GLY 473 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qqj s TRP 474 N -2.00 3.59 -0.07 1.61 -0.00 -0.26 -4.63 118.94 117.17 2qqj s TRP 474 Ca 0.00 1.52 0.03 0.00 -0.00 0.00 0.00 56.10 57.65 2qqj s TRP 474 Cb 0.00 -3.04 0.01 0.00 -0.00 0.00 0.00 33.47 30.44 2qqj s TRP 474 CO 0.00 -0.04 -0.17 -0.06 -0.00 0.00 0.00 176.95 176.67 2qqj s PHE 475 N 1.24 1.89 1.01 5.86 0.40 -1.26 -1.26 117.98 125.86 2qqj s PHE 475 Ca 0.46 -0.71 -0.15 0.00 -0.60 0.00 0.00 56.93 55.93 2qqj s PHE 475 Cb -0.19 -1.31 0.20 0.00 0.51 0.00 0.00 43.02 42.22 2qqj s PHE 475 CO 0.22 -0.31 1.16 -1.25 0.70 0.00 0.00 175.22 175.75 2qqj s PRO 476 N 0.44 0.32 0.12 0.24 0.04 -1.26 -2.58 135.00 132.32 2qqj s PRO 476 Ca -0.14 0.07 -0.21 0.00 0.04 0.00 0.00 61.00 60.75 2qqj s PRO 476 Cb -0.16 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2qqj s PRO 476 CO 0.05 -2.71 1.70 -0.09 0.04 0.00 0.00 177.00 175.99 2qqj h ARG 477 N -1.86 -0.07 -4.34 4.56 2.43 -1.75 -3.17 114.38 110.19 2qqj h ARG 477 Ca -0.48 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.00 2qqj h ARG 477 Cb 1.30 0.02 -0.35 0.00 -0.42 0.00 0.00 29.97 30.52 2qqj h ARG 477 CO 0.49 -0.05 -0.53 0.42 -1.51 0.00 0.00 179.97 178.79 2qqj s ILE 478 N -6.18 3.27 0.64 1.20 1.01 -1.26 -4.66 121.20 115.22 2qqj s ILE 478 Ca -0.14 -2.24 0.36 0.00 0.00 0.00 0.00 60.65 58.63 2qqj s ILE 478 Cb 0.10 -3.23 0.38 0.00 0.01 0.00 0.00 42.46 39.72 2qqj s ILE 478 CO 0.68 -0.72 2.18 -0.65 0.00 0.00 0.00 174.94 176.43 2qqj h PRO 479 N 7.83 0.00 -4.06 2.79 0.11 -1.86 -3.04 132.00 133.76 2qqj h PRO 479 Ca -0.11 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.23 2qqj h PRO 479 Cb 1.03 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.90 2qqj h PRO 479 CO 0.69 0.00 0.69 -0.65 -0.21 0.00 0.00 178.00 178.52 2qqj s GLN 480 N -4.29 4.04 0.00 1.05 -1.52 -1.26 -0.94 119.66 116.73 2qqj s GLN 480 Ca -0.04 -2.81 0.00 0.00 -1.95 0.00 0.00 55.36 50.55 2qqj s GLN 480 Cb 0.13 -4.71 0.00 0.00 -0.22 0.00 0.00 33.01 28.20 2qqj s GLN 480 CO 0.42 -1.44 0.00 0.00 -0.25 0.00 0.00 175.29 174.02 2qqj n ALA 481 N 4.04 0.00 -2.62 6.09 0.00 -1.15 -5.10 120.51 121.77 2qqj n ALA 481 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 2qqj n ALA 481 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2qqj n ALA 481 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2qqj s GLN 482 N -0.89 3.77 0.38 0.00 2.00 -1.26 -5.06 119.66 118.59 2qqj s GLN 482 Ca 0.00 0.24 -0.28 0.00 -2.00 0.00 0.00 55.36 53.33 2qqj s GLN 482 Cb 0.00 -3.21 -0.10 0.00 0.80 0.00 0.00 33.01 30.50 2qqj s GLN 482 CO 0.00 0.72 1.42 -2.14 -0.50 0.00 0.00 175.29 174.79 2qqj s PRO 483 N -1.08 4.11 0.00 1.67 0.02 -1.26 -1.76 135.00 136.69 2qqj s PRO 483 Ca 0.21 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2qqj s PRO 483 Cb -0.15 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2qqj s PRO 483 CO 0.11 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 2qqj n GLY 484 N 0.57 0.38 0.10 0.52 0.00 -0.79 -4.85 105.19 101.11 2qqj n GLY 484 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2qqj n GLY 484 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qqj n GLU 485 N -1.67 0.62 -4.22 1.61 2.13 -0.72 -4.93 120.64 113.45 2qqj n GLU 485 Ca 0.00 0.13 -0.23 0.00 0.66 0.00 0.00 57.16 57.73 2qqj n GLU 485 Cb 0.07 -1.78 -0.06 0.00 0.27 0.00 0.00 31.44 29.94 2qqj n GLU 485 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2qqj s GLU 486 N -3.15 2.53 0.03 5.31 0.41 -1.26 -5.00 118.70 117.58 2qqj s GLU 486 Ca -0.03 -1.27 -0.27 0.00 -0.41 0.00 0.00 54.97 52.99 2qqj s GLU 486 Cb 0.09 -2.32 0.08 0.00 -1.78 0.00 0.00 34.13 30.20 2qqj s GLU 486 CO 0.81 0.38 0.68 1.67 -0.49 0.00 0.00 175.26 178.32 2qqj s TRP 487 N -2.22 -0.57 -0.08 1.61 1.48 -1.26 -3.89 118.94 114.01 2qqj s TRP 487 Ca 0.32 0.69 0.02 0.00 -1.06 0.00 0.00 56.10 56.06 2qqj s TRP 487 Cb -0.07 0.49 -0.02 0.00 -1.16 0.00 0.00 33.47 32.70 2qqj s TRP 487 CO 0.22 -0.69 -0.12 -1.17 -4.06 0.00 0.00 176.95 171.13 2qqj s LEU 488 N -1.94 2.84 -0.04 -4.66 2.96 -0.63 -1.61 118.68 115.60 2qqj s LEU 488 Ca -0.04 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2qqj s LEU 488 Cb -0.01 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2qqj s LEU 488 CO -0.02 0.29 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.53 2qqj s GLN 489 N -0.41 1.95 -0.13 1.98 0.74 0.86 -1.14 119.66 123.51 2qqj s GLN 489 Ca 0.05 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.78 2qqj s GLN 489 Cb -0.12 -1.71 0.00 0.00 1.10 0.00 0.00 33.01 32.28 2qqj s GLN 489 CO 0.02 0.31 -0.21 0.08 -0.55 0.00 0.00 175.29 174.94 2qqj s VAL 490 N -0.09 2.20 -0.35 1.34 1.01 -0.23 -1.76 120.40 122.51 2qqj s VAL 490 Ca -0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2qqj s VAL 490 Cb -0.11 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2qqj s VAL 490 CO 0.02 0.54 0.28 -0.62 0.00 0.00 0.00 175.10 175.32 2qqj s ASP 491 N 0.70 6.09 0.00 3.32 2.15 -0.20 -1.16 116.67 127.57 2qqj s ASP 491 Ca -0.09 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 52.69 2qqj s ASP 491 Cb -0.16 -2.15 1.17 0.00 -0.30 0.00 0.00 42.92 41.48 2qqj s ASP 491 CO 0.01 -0.29 1.85 0.18 -0.17 0.00 0.00 175.17 176.75 2qqj n LEU 492 N 5.18 0.00 0.00 -1.34 4.77 0.48 -4.81 117.00 121.28 2qqj n LEU 492 Ca -0.12 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2qqj n LEU 492 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2qqj n LEU 492 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2qqj n GLY 493 N 1.14 2.88 3.28 -0.72 0.00 -1.26 -4.95 105.19 105.56 2qqj n GLY 493 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2qqj n GLY 493 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qqj s THR 494 N -2.12 0.10 0.24 2.61 -1.32 -1.26 -5.13 115.64 108.76 2qqj s THR 494 Ca 0.00 -1.24 -0.30 0.00 -1.21 0.00 0.00 61.69 58.95 2qqj s THR 494 Cb 0.00 -1.58 -0.09 0.00 -1.51 0.00 0.00 72.50 69.32 2qqj s THR 494 CO 0.00 -0.44 1.32 -2.84 -2.21 0.00 0.00 174.62 170.44 2qqj s PRO 495 N -3.91 4.38 0.30 7.08 0.02 -1.26 -4.43 135.00 137.18 2qqj s PRO 495 Ca 0.11 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.27 2qqj s PRO 495 Cb 0.04 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 2qqj s PRO 495 CO -0.05 -0.23 0.11 0.15 -0.33 0.00 0.00 177.00 176.64 2qqj s LYS 496 N -0.60 1.56 -0.21 5.54 -0.14 0.24 -4.49 119.74 121.64 2qqj s LYS 496 Ca 0.55 -1.87 -0.16 0.00 -1.36 0.00 0.00 55.97 53.12 2qqj s LYS 496 Cb -0.38 -0.35 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 2qqj s LYS 496 CO 0.42 -0.34 0.40 0.99 -0.76 0.00 0.00 175.35 176.06 2qqj s THR 497 N -3.58 5.19 -0.16 2.17 2.01 0.21 -1.63 115.64 119.85 2qqj s THR 497 Ca 0.35 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.02 2qqj s THR 497 Cb 0.07 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2qqj s THR 497 CO 0.15 0.23 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 2qqj s VAL 498 N 1.47 3.65 0.00 3.82 1.01 -0.41 -1.37 120.40 128.57 2qqj s VAL 498 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2qqj s VAL 498 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2qqj s VAL 498 CO 0.08 0.48 0.42 1.17 0.00 0.00 0.00 175.10 177.25 2qqj n LYS 499 N 3.78 0.26 0.00 2.72 4.81 0.31 -1.59 118.16 128.45 2qqj n LYS 499 Ca -0.18 -0.50 0.00 0.00 -0.87 0.00 0.00 58.31 56.76 2qqj n LYS 499 Cb 0.52 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.85 2qqj n LYS 499 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qqj n GLY 500 N -0.09 0.06 3.30 3.14 0.00 -1.12 -1.87 105.19 108.62 2qqj n GLY 500 Ca 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 2qqj n GLY 500 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qqj s VAL 501 N -2.00 1.60 -0.21 1.61 -7.23 0.08 -0.76 120.40 113.49 2qqj s VAL 501 Ca 0.00 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2qqj s VAL 501 Cb 0.00 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.16 2qqj s VAL 501 CO 0.00 -0.46 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.57 2qqj s ILE 502 N -2.44 2.45 -0.03 -0.62 1.01 0.31 -1.40 121.20 120.49 2qqj s ILE 502 Ca 0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qqj s ILE 502 Cb -0.03 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2qqj s ILE 502 CO 0.05 0.37 0.07 -0.51 0.00 0.00 0.00 174.94 174.92 2qqj s ILE 503 N 1.30 4.70 0.05 2.92 2.07 -0.74 -0.40 121.20 131.10 2qqj s ILE 503 Ca 0.02 -0.34 -0.00 0.00 -1.41 0.00 0.00 60.65 58.92 2qqj s ILE 503 Cb -0.15 -3.11 -0.04 0.00 0.13 0.00 0.00 42.46 39.30 2qqj s ILE 503 CO -0.09 0.42 -0.04 -1.58 -1.91 0.00 0.00 174.94 171.74 2qqj s GLN 504 N -1.52 0.59 0.00 3.50 0.74 -0.06 -1.28 119.66 121.63 2qqj s GLN 504 Ca 0.20 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.52 2qqj s GLN 504 Cb -0.12 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.07 2qqj s GLN 504 CO 0.11 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.19 2qqj n GLY 505 N 0.45 -0.48 2.93 2.59 0.00 -1.16 -0.87 105.19 108.65 2qqj n GLY 505 Ca -0.16 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 2qqj n GLY 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqj s ALA 506 N -3.91 0.24 -0.02 4.61 0.00 0.13 -3.19 121.76 119.63 2qqj s ALA 506 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2qqj s ALA 506 Cb 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 23.12 22.84 2qqj s ALA 506 CO 0.00 0.03 0.77 -0.09 0.00 0.00 0.00 175.76 176.47 2qqj h ARG 507 N 5.82 0.14 0.00 0.00 2.43 -1.45 -0.70 114.38 120.62 2qqj h ARG 507 Ca -0.27 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2qqj h ARG 507 Cb 1.20 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2qqj h ARG 507 CO 0.49 0.90 0.00 0.41 -1.51 0.00 0.00 179.97 180.26 2qqj n GLY 508 N 1.64 -0.05 0.00 2.80 0.00 -1.22 -1.43 105.19 106.93 2qqj n GLY 508 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2qqj n GLY 508 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqj n GLY 509 N 0.00 2.52 0.10 -0.02 0.00 -1.26 -4.50 105.19 102.02 2qqj n GLY 509 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2qqj n GLY 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqj h ALA 514 N 0.00 0.19 -2.57 4.61 0.00 -2.09 -3.46 119.26 115.93 2qqj h ALA 514 Ca 0.00 0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 2qqj h ALA 514 Cb 0.00 0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.83 2qqj h ALA 514 CO 0.00 -0.38 0.85 0.08 0.00 0.00 0.00 179.25 179.80 2qqj s VAL 515 N -6.18 2.85 -0.02 0.00 1.01 -1.26 -4.97 120.40 111.83 2qqj s VAL 515 Ca -0.13 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2qqj s VAL 515 Cb 0.09 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2qqj s VAL 515 CO 0.68 0.04 1.12 -0.70 0.00 0.00 0.00 175.10 176.25 2qqj s GLU 516 N 1.27 4.43 -0.53 2.72 2.12 -1.26 -5.02 118.70 122.42 2qqj s GLU 516 Ca 0.69 1.60 -0.00 0.00 0.36 0.00 0.00 54.97 57.61 2qqj s GLU 516 Cb -0.41 -3.48 0.14 0.00 0.26 0.00 0.00 34.13 30.64 2qqj s GLU 516 CO 0.31 -0.29 0.31 0.00 -0.54 0.00 0.00 175.26 175.05 2qqj s ALA 517 N 1.61 3.37 -0.41 6.30 0.00 -0.51 -4.88 121.76 127.23 2qqj s ALA 517 Ca 0.55 -3.07 -0.28 0.00 0.00 0.00 0.00 51.96 49.15 2qqj s ALA 517 Cb -0.24 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 2qqj s ALA 517 CO 0.25 -1.99 1.66 1.03 0.00 0.00 0.00 175.76 176.70 2qqj s ARG 518 N 0.17 3.32 0.16 0.00 0.52 -1.21 -3.64 118.95 118.27 2qqj s ARG 518 Ca 0.15 1.10 0.07 0.00 -0.52 0.00 0.00 55.73 56.53 2qqj s ARG 518 Cb -0.22 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.05 2qqj s ARG 518 CO -0.03 -1.88 -0.15 0.00 0.02 0.00 0.00 175.30 173.25 2qqj s ALA 519 N 6.65 1.77 0.08 2.13 0.00 -0.27 -4.54 121.76 127.59 2qqj s ALA 519 Ca 0.70 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 2qqj s ALA 519 Cb -0.18 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.89 2qqj s ALA 519 CO 0.31 0.12 0.51 -0.59 0.00 0.00 0.00 175.76 176.11 2qqj s PHE 520 N -2.39 -0.40 -0.09 0.00 -0.12 -1.25 0.21 117.98 113.94 2qqj s PHE 520 Ca 0.15 0.32 -0.23 0.00 -0.05 0.00 0.00 56.93 57.12 2qqj s PHE 520 Cb -0.04 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 2qqj s PHE 520 CO 0.05 -0.69 0.71 0.08 -0.05 0.00 0.00 175.22 175.32 2qqj s VAL 521 N -2.96 5.03 -0.28 -2.49 1.01 -1.25 -0.64 120.40 118.82 2qqj s VAL 521 Ca -0.02 1.45 0.22 0.00 0.00 0.00 0.00 61.98 63.62 2qqj s VAL 521 Cb -0.00 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.12 2qqj s VAL 521 CO -0.06 0.22 0.75 0.54 0.00 0.00 0.00 175.10 176.54 2qqj n ARG 522 N 4.04 0.51 -3.52 2.72 1.74 0.26 -0.48 116.66 121.93 2qqj n ARG 522 Ca -0.01 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.84 2qqj n ARG 522 Cb 0.51 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 2qqj n ARG 522 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qqj s LYS 523 N -3.37 1.00 0.19 5.56 1.02 -1.13 -1.42 119.74 121.59 2qqj s LYS 523 Ca -0.03 0.18 -0.22 0.00 0.02 0.00 0.00 55.97 55.93 2qqj s LYS 523 Cb 0.13 0.47 0.05 0.00 -0.52 0.00 0.00 37.83 37.97 2qqj s LYS 523 CO 0.86 -0.33 0.61 -0.59 -0.92 0.00 0.00 175.35 174.98 2qqj s PHE 524 N -1.39 -0.42 0.30 3.18 -0.12 -0.63 -0.62 117.98 118.28 2qqj s PHE 524 Ca -0.09 0.14 0.10 0.00 -0.05 0.00 0.00 56.93 57.03 2qqj s PHE 524 Cb -0.00 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2qqj s PHE 524 CO 0.07 -0.93 -0.01 0.15 -0.05 0.00 0.00 175.22 174.45 2qqj s LYS 525 N -3.80 2.15 -0.06 1.99 1.02 -0.37 -0.30 119.74 120.38 2qqj s LYS 525 Ca 0.04 -1.60 0.04 0.00 0.02 0.00 0.00 55.97 54.47 2qqj s LYS 525 Cb -0.02 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2qqj s LYS 525 CO -0.08 0.25 -0.17 0.08 -0.92 0.00 0.00 175.35 174.51 2qqj s VAL 526 N -2.43 1.48 0.31 3.17 1.01 -1.26 -1.44 120.40 121.24 2qqj s VAL 526 Ca 0.33 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.71 2qqj s VAL 526 Cb -0.04 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 2qqj s VAL 526 CO 0.19 0.43 -0.14 -0.94 0.00 0.00 0.00 175.10 174.64 2qqj s SER 527 N 0.28 3.63 0.07 3.32 1.04 -0.24 -1.56 113.70 120.24 2qqj s SER 527 Ca -0.10 -1.12 -0.21 0.00 0.48 0.00 0.00 55.95 55.00 2qqj s SER 527 Cb -0.14 -0.32 0.05 0.00 0.10 0.00 0.00 66.02 65.71 2qqj s SER 527 CO 0.04 -0.10 0.50 -0.72 0.98 0.00 0.00 173.24 173.94 2qqj s TYR 528 N -2.58 -0.38 0.01 5.02 -0.85 0.14 -0.70 117.35 118.01 2qqj s TYR 528 Ca 0.31 0.33 -0.28 0.00 -0.52 0.00 0.00 57.07 56.91 2qqj s TYR 528 Cb -0.01 0.34 0.08 0.00 0.38 0.00 0.00 41.96 42.75 2qqj s TYR 528 CO 0.16 -0.67 0.72 0.45 -1.52 0.00 0.00 175.55 174.69 2qqj s SER 529 N -2.20 -0.56 -0.17 -0.18 0.15 -0.81 -1.54 113.70 108.39 2qqj s SER 529 Ca -0.03 0.37 0.17 0.00 0.70 0.00 0.00 55.95 57.17 2qqj s SER 529 Cb -0.00 0.51 -0.25 0.00 -1.71 0.00 0.00 66.02 64.57 2qqj s SER 529 CO -0.05 -0.69 0.18 0.18 1.20 0.00 0.00 173.24 174.06 2qqj n LEU 530 N 0.35 0.13 -0.00 3.45 4.77 -1.26 -1.24 117.00 123.20 2qqj n LEU 530 Ca -0.16 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2qqj n LEU 530 Cb 0.60 0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 42.00 2qqj n LEU 530 CO 0.18 0.46 -0.25 -0.46 -1.33 0.00 0.00 177.39 175.99 2qqj n ASN 531 N -2.77 0.79 0.00 -1.43 0.23 -1.26 -4.68 115.26 106.14 2qqj n ASN 531 Ca -0.29 -0.67 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 2qqj n ASN 531 Cb 1.11 1.26 0.00 0.00 -2.08 0.00 0.00 39.78 40.08 2qqj n ASN 531 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qqj n GLY 532 N 1.43 0.59 0.86 4.83 0.00 -1.26 -4.84 105.19 106.81 2qqj n GLY 532 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qqj n GLY 532 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqj n LYS 533 N -2.81 0.00 -3.89 1.61 5.02 -1.26 -5.02 118.16 111.81 2qqj n LYS 533 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2qqj n LYS 533 Cb 0.00 -0.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 2qqj n LYS 533 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qqj s ASP 534 N -4.70 5.61 -0.07 4.39 1.01 -1.26 -5.09 116.67 116.55 2qqj s ASP 534 Ca 0.00 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.32 2qqj s ASP 534 Cb 0.00 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 2qqj s ASP 534 CO 0.00 0.10 -0.19 0.26 0.21 0.00 0.00 175.17 175.55 2qqj s TRP 535 N 0.81 2.60 0.03 4.23 0.52 -1.26 -4.54 118.94 121.33 2qqj s TRP 535 Ca 0.04 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.74 2qqj s TRP 535 Cb -0.13 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 2qqj s TRP 535 CO 0.02 -0.07 -0.22 -1.21 0.02 0.00 0.00 176.95 175.49 2qqj s GLU 536 N -0.27 2.01 0.17 4.98 2.02 -0.59 -4.94 118.70 122.09 2qqj s GLU 536 Ca 0.01 -1.00 -0.07 0.00 0.02 0.00 0.00 54.97 53.92 2qqj s GLU 536 Cb -0.13 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 31.94 2qqj s GLU 536 CO 0.03 0.54 0.45 0.71 0.02 0.00 0.00 175.26 177.01 2qqj s TYR 537 N -0.81 3.47 0.02 1.61 1.51 -1.26 -0.68 117.35 121.20 2qqj s TYR 537 Ca 0.13 0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 56.60 2qqj s TYR 537 Cb -0.10 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.56 2qqj s TYR 537 CO 0.03 0.38 1.36 0.42 -1.11 0.00 0.00 175.55 176.62 2qqj s ILE 538 N -1.68 3.73 0.05 2.71 1.01 -0.60 -4.95 121.20 121.46 2qqj s ILE 538 Ca 0.42 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2qqj s ILE 538 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2qqj s ILE 538 CO 0.22 0.02 0.17 -1.10 0.00 0.00 0.00 174.94 174.25 2qqj s GLN 539 N 2.01 3.29 -0.21 2.79 -1.52 -1.26 -1.07 119.66 123.69 2qqj s GLN 539 Ca 0.63 -0.48 -0.20 0.00 -1.95 0.00 0.00 55.36 53.36 2qqj s GLN 539 Cb -0.31 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.48 2qqj s GLN 539 CO 0.27 0.61 0.58 0.34 -0.25 0.00 0.00 175.29 176.84 2qqj s ASP 540 N -2.33 6.61 0.31 5.90 -1.08 0.90 -4.58 116.67 122.40 2qqj s ASP 540 Ca 0.32 0.74 0.04 0.00 -0.52 0.00 0.00 52.55 53.12 2qqj s ASP 540 Cb -0.13 -2.32 0.64 0.00 -1.46 0.00 0.00 42.92 39.66 2qqj s ASP 540 CO 0.24 -0.24 1.85 -0.65 0.52 0.00 0.00 175.17 176.89 2qqj h PRO 541 N 7.53 0.87 -0.10 4.34 0.11 -1.98 0.15 132.00 142.93 2qqj h PRO 541 Ca -0.32 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.52 2qqj h PRO 541 Cb 1.15 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.07 2qqj h PRO 541 CO 0.76 0.58 -0.82 0.00 -0.21 0.00 0.00 178.00 178.30 2qqj h ARG 542 N 0.90 0.63 0.00 1.05 3.08 -1.95 -3.31 114.38 114.77 2qqj h ARG 542 Ca 0.48 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qqj h ARG 542 Cb 0.56 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2qqj h ARG 542 CO -0.24 1.17 -1.46 0.25 -1.07 0.00 0.00 179.97 178.61 2qqj n THR 543 N -3.88 0.24 -2.95 2.04 -2.24 -1.15 -4.97 114.28 101.38 2qqj n THR 543 Ca -0.07 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 2qqj n THR 543 Cb 0.76 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 2qqj n THR 543 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qqj n GLN 544 N -2.32 -3.65 -4.21 -0.78 6.02 0.51 -5.00 117.38 107.94 2qqj n GLN 544 Ca -0.01 0.75 -0.12 0.00 -0.01 0.00 0.00 57.00 57.60 2qqj n GLN 544 Cb 0.53 -5.50 -0.10 0.00 1.02 0.00 0.00 30.24 26.19 2qqj n GLN 544 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2qqj s GLN 545 N -5.61 0.97 0.23 -1.09 -1.52 -1.23 -4.92 119.66 106.50 2qqj s GLN 545 Ca 0.25 -1.42 -0.30 0.00 -1.95 0.00 0.00 55.36 51.93 2qqj s GLN 545 Cb -0.12 -0.37 -0.15 0.00 -0.22 0.00 0.00 33.01 32.15 2qqj s GLN 545 CO 0.30 -0.01 1.07 -2.30 -0.25 0.00 0.00 175.29 174.10 2qqj n PRO 546 N -0.14 1.21 -2.37 2.91 -0.02 -1.26 -0.07 135.00 135.25 2qqj n PRO 546 Ca -0.10 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2qqj n PRO 546 Cb 0.61 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 2qqj n PRO 546 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qqj s LYS 547 N -0.92 4.49 -0.49 -0.52 2.20 -0.23 -4.56 119.74 119.70 2qqj s LYS 547 Ca 0.66 1.88 -0.17 0.00 -0.36 0.00 0.00 55.97 57.98 2qqj s LYS 547 Cb -0.79 -3.24 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 2qqj s LYS 547 CO 0.56 -0.08 0.51 -0.51 -0.36 0.00 0.00 175.35 175.47 2qqj s LEU 548 N -0.30 5.36 0.26 5.43 1.43 -1.26 -4.40 118.68 125.20 2qqj s LEU 548 Ca 0.52 -1.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 2qqj s LEU 548 Cb -0.33 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 2qqj s LEU 548 CO 0.37 -0.78 0.94 -0.36 0.23 0.00 0.00 176.35 176.75 2qqj s PHE 549 N 2.11 3.90 0.25 0.29 0.40 0.60 -4.86 117.98 120.66 2qqj s PHE 549 Ca 0.09 1.88 -0.30 0.00 -0.60 0.00 0.00 56.93 58.00 2qqj s PHE 549 Cb -0.22 -2.97 -0.10 0.00 0.51 0.00 0.00 43.02 40.24 2qqj s PHE 549 CO 0.09 0.38 1.39 -1.21 0.70 0.00 0.00 175.22 176.56 2qqj s GLU 550 N -1.44 4.31 0.00 0.44 0.41 -1.26 -1.60 118.70 119.56 2qqj s GLU 550 Ca 0.44 2.23 0.00 0.00 -0.41 0.00 0.00 54.97 57.23 2qqj s GLU 550 Cb -0.24 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 2qqj s GLU 550 CO 0.30 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 2qqj n GLY 551 N 2.01 1.22 4.00 -1.39 0.00 -0.50 -4.86 105.19 105.67 2qqj n GLY 551 Ca 0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 2qqj n GLY 551 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qqj s ASN 552 N -1.00 5.65 -0.08 1.61 0.02 0.37 -4.89 114.94 116.62 2qqj s ASN 552 Ca 0.00 -0.32 0.12 0.00 -1.02 0.00 0.00 52.86 51.64 2qqj s ASN 552 Cb 0.00 -0.78 0.18 0.00 0.02 0.00 0.00 41.25 40.67 2qqj s ASN 552 CO 0.00 -0.77 1.07 0.23 0.02 0.00 0.00 177.10 177.65 2qqj n MET 553 N -1.89 1.13 -3.50 -0.60 2.81 -1.26 -4.49 117.12 109.31 2qqj n MET 553 Ca 0.07 -2.02 -0.12 0.00 -1.81 0.00 0.00 57.70 53.82 2qqj n MET 553 Cb 0.59 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 31.89 2qqj n MET 553 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2qqj s HIS 554 N -1.90 -0.48 -0.06 2.03 5.65 -1.26 -5.06 115.29 114.21 2qqj s HIS 554 Ca 0.20 0.59 0.27 0.00 0.25 0.00 0.00 55.06 56.37 2qqj s HIS 554 Cb 0.17 0.49 0.89 0.00 -1.18 0.00 0.00 32.58 32.96 2qqj s HIS 554 CO 0.02 -0.59 1.81 0.10 -0.65 0.00 0.00 174.74 175.43 2qqj h TYR 555 N 2.40 0.00 0.00 3.88 -0.00 -1.90 -3.38 116.97 117.97 2qqj h TYR 555 Ca -0.25 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.30 2qqj h TYR 555 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.92 2qqj h TYR 555 CO 0.29 0.09 -1.55 -3.47 -0.00 0.00 0.00 178.16 173.52 2qqj n ASP 556 N -3.17 0.77 -4.64 0.10 2.03 -1.26 -2.94 116.55 107.43 2qqj n ASP 556 Ca 0.02 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 2qqj n ASP 556 Cb 0.43 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 2qqj n ASP 556 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2qqj s THR 557 N -2.20 3.11 0.77 5.18 2.01 -1.26 -4.72 115.64 118.53 2qqj s THR 557 Ca -0.15 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 2qqj s THR 557 Cb 0.06 -3.11 0.08 0.00 0.01 0.00 0.00 72.50 69.53 2qqj s THR 557 CO 0.19 -0.04 1.11 -2.16 -0.69 0.00 0.00 174.62 173.02 2qqj s PRO 558 N 5.15 2.02 -0.03 4.92 0.05 -1.26 -4.63 135.00 141.23 2qqj s PRO 558 Ca 0.90 -0.08 0.01 0.00 0.05 0.00 0.00 61.00 61.89 2qqj s PRO 558 Cb -0.37 -2.05 0.02 0.00 0.05 0.00 0.00 34.50 32.15 2qqj s PRO 558 CO 0.37 -1.46 -0.04 -0.51 0.05 0.00 0.00 177.00 175.40 2qqj s ASP 559 N -4.56 0.81 -0.03 6.66 1.01 -0.41 -4.38 116.67 115.76 2qqj s ASP 559 Ca 0.62 -0.11 -0.18 0.00 0.71 0.00 0.00 52.55 53.58 2qqj s ASP 559 Cb -0.11 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 43.45 2qqj s ASP 559 CO 0.47 -0.02 0.50 -0.51 0.21 0.00 0.00 175.17 175.82 2qqj s ILE 560 N 0.63 5.01 -0.22 0.77 2.07 -1.26 -1.79 121.20 126.41 2qqj s ILE 560 Ca -0.08 1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 60.19 2qqj s ILE 560 Cb -0.11 -3.83 0.06 0.00 0.13 0.00 0.00 42.46 38.70 2qqj s ILE 560 CO -0.00 0.45 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.32 2qqj s ARG 561 N -0.26 1.26 0.30 3.50 1.81 -0.49 -5.03 118.95 120.04 2qqj s ARG 561 Ca 0.27 -0.77 -0.00 0.00 -1.72 0.00 0.00 55.73 53.51 2qqj s ARG 561 Cb -0.17 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 2qqj s ARG 561 CO 0.14 -0.61 0.50 1.03 -0.68 0.00 0.00 175.30 175.68 2qqj s ARG 562 N 1.57 3.52 0.23 3.54 0.52 -1.26 -0.74 118.95 126.33 2qqj s ARG 562 Ca -0.04 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 54.72 2qqj s ARG 562 Cb -0.18 -2.71 0.01 0.00 0.52 0.00 0.00 34.95 32.59 2qqj s ARG 562 CO -0.07 0.23 0.52 -0.59 0.02 0.00 0.00 175.30 175.42 2qqj s PHE 563 N -2.16 0.12 0.44 -0.53 -0.12 -0.78 -4.94 117.98 110.01 2qqj s PHE 563 Ca 0.40 -0.50 -0.25 0.00 -0.05 0.00 0.00 56.93 56.53 2qqj s PHE 563 Cb -0.10 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.54 2qqj s PHE 563 CO 0.33 -1.00 1.30 -0.51 -0.05 0.00 0.00 175.22 175.29 2qqj s ASP 564 N -2.95 6.11 0.16 1.98 1.01 -1.26 -4.56 116.67 117.15 2qqj s ASP 564 Ca 0.16 2.64 -0.31 0.00 0.71 0.00 0.00 52.55 55.74 2qqj s ASP 564 Cb -0.01 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 2qqj s ASP 564 CO 0.05 -0.99 1.70 -2.16 0.21 0.00 0.00 175.17 173.98 2qqj s PRO 565 N -2.42 4.16 0.11 8.23 0.04 -1.26 -4.82 135.00 139.04 2qqj s PRO 565 Ca 0.60 2.51 0.09 0.00 0.04 0.00 0.00 61.00 64.24 2qqj s PRO 565 Cb -0.37 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2qqj s PRO 565 CO 0.47 -0.73 -0.23 0.96 0.04 0.00 0.00 177.00 177.51 2qqj s ILE 566 N 1.69 1.92 -0.12 0.56 -4.36 -0.62 -4.94 121.20 115.33 2qqj s ILE 566 Ca 0.75 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 59.27 2qqj s ILE 566 Cb -0.46 -1.72 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 2qqj s ILE 566 CO 0.33 0.01 0.83 -2.16 0.24 0.00 0.00 174.94 174.19 2qqj s PRO 567 N -1.93 4.37 -0.20 0.37 0.04 -1.26 -1.28 135.00 135.10 2qqj s PRO 567 Ca 0.09 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2qqj s PRO 567 Cb -0.10 -3.53 0.07 0.00 0.04 0.00 0.00 34.50 30.98 2qqj s PRO 567 CO 0.05 -0.21 0.68 0.00 0.04 0.00 0.00 177.00 177.56 2qqj s ALA 568 N 1.71 -1.70 -0.17 8.56 0.00 -0.64 -4.66 121.76 124.85 2qqj s ALA 568 Ca 0.41 1.76 0.16 0.00 0.00 0.00 0.00 51.96 54.28 2qqj s ALA 568 Cb -0.17 -0.83 -0.24 0.00 0.00 0.00 0.00 23.12 21.87 2qqj s ALA 568 CO 0.16 -0.33 0.17 0.94 0.00 0.00 0.00 175.76 176.69 2qqj n GLN 569 N 2.25 0.68 -5.15 0.00 7.27 -0.37 -0.59 117.38 121.46 2qqj n GLN 569 Ca -0.15 0.06 -0.29 0.00 0.07 0.00 0.00 57.00 56.68 2qqj n GLN 569 Cb 0.56 -1.57 -0.16 0.00 2.41 0.00 0.00 30.24 31.48 2qqj n GLN 569 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2qqj s TYR 570 N -2.51 2.10 -0.03 3.69 1.51 -0.54 -0.38 117.35 121.18 2qqj s TYR 570 Ca -0.10 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 2qqj s TYR 570 Cb 0.07 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2qqj s TYR 570 CO 0.82 -0.06 -0.14 0.08 -1.11 0.00 0.00 175.55 175.14 2qqj s VAL 571 N -0.49 1.13 -0.07 0.71 1.01 -0.31 -1.92 120.40 120.47 2qqj s VAL 571 Ca 0.07 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2qqj s VAL 571 Cb -0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2qqj s VAL 571 CO -0.00 0.33 -0.24 -0.13 0.00 0.00 0.00 175.10 175.05 2qqj s ARG 572 N -0.07 2.65 -0.18 2.72 0.52 0.13 -1.07 118.95 123.65 2qqj s ARG 572 Ca 0.00 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2qqj s ARG 572 Cb -0.08 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 2qqj s ARG 572 CO 0.01 0.31 -0.09 0.08 0.02 0.00 0.00 175.30 175.63 2qqj s VAL 573 N -0.00 3.15 -0.34 3.52 1.01 -0.29 -1.08 120.40 126.36 2qqj s VAL 573 Ca -0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2qqj s VAL 573 Cb -0.15 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2qqj s VAL 573 CO 0.05 0.47 0.10 -0.31 0.00 0.00 0.00 175.10 175.41 2qqj s TYR 574 N 1.00 3.30 0.24 5.22 1.51 -0.52 -1.60 117.35 126.51 2qqj s TYR 574 Ca -0.01 -1.68 -0.31 0.00 -1.01 0.00 0.00 57.07 54.06 2qqj s TYR 574 Cb -0.15 -2.40 -0.11 0.00 -0.11 0.00 0.00 41.96 39.20 2qqj s TYR 574 CO -0.01 -0.79 1.62 -2.14 -1.11 0.00 0.00 175.55 173.12 2qqj s PRO 575 N 1.33 4.15 -0.15 -1.71 0.02 -1.25 -1.23 135.00 136.16 2qqj s PRO 575 Ca -0.01 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.57 2qqj s PRO 575 Cb -0.20 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.15 2qqj s PRO 575 CO 0.01 -0.65 -0.11 -1.91 -0.33 0.00 0.00 177.00 174.01 2qqj n GLU 576 N 3.04 0.60 -4.02 5.54 4.07 0.21 -1.88 120.64 128.19 2qqj n GLU 576 Ca 0.11 0.08 -0.08 0.00 -0.06 0.00 0.00 57.16 57.21 2qqj n GLU 576 Cb 0.37 -1.30 -0.10 0.00 -0.06 0.00 0.00 31.44 30.35 2qqj n GLU 576 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2qqj s ARG 577 N -2.30 0.57 0.22 5.31 0.52 -1.09 -4.60 118.95 117.57 2qqj s ARG 577 Ca -0.19 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 53.82 2qqj s ARG 577 Cb 0.05 0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.76 2qqj s ARG 577 CO 0.37 -0.12 0.61 1.67 0.02 0.00 0.00 175.30 177.86 2qqj s TRP 578 N -3.22 -0.25 1.21 -0.53 -2.14 -1.26 -0.58 118.94 112.17 2qqj s TRP 578 Ca 0.00 -0.09 -0.15 0.00 2.66 0.00 0.00 56.10 58.52 2qqj s TRP 578 Cb 0.03 0.55 0.29 0.00 -3.10 0.00 0.00 33.47 31.24 2qqj s TRP 578 CO -0.07 -1.02 1.02 -1.54 -2.66 0.00 0.00 176.95 172.68 2qqj s SER 579 N -2.86 0.71 0.55 -2.66 1.04 0.19 -4.83 113.70 105.83 2qqj s SER 579 Ca 0.08 1.27 0.22 0.00 0.48 0.00 0.00 55.95 57.99 2qqj s SER 579 Cb -0.03 -1.94 1.46 0.00 0.10 0.00 0.00 66.02 65.61 2qqj s SER 579 CO -0.02 -4.33 2.16 -0.65 0.98 0.00 0.00 173.24 171.38 2qqj h PRO 580 N -2.71 0.00 0.00 4.02 0.11 -1.91 -2.10 132.00 129.41 2qqj h PRO 580 Ca -0.57 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 2qqj h PRO 580 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 2qqj h PRO 580 CO 0.47 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2qqj h ALA 581 N 1.95 1.00 0.00 -0.75 0.00 -1.92 -3.49 119.26 116.05 2qqj h ALA 581 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qqj h ALA 581 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qqj h ALA 581 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2qqj n GLY 582 N -0.35 -0.96 3.67 0.00 0.00 -0.79 -4.75 105.19 102.01 2qqj n GLY 582 Ca -0.01 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2qqj n GLY 582 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqj s ILE 583 N 0.00 3.95 -0.05 -0.61 1.01 -0.12 -4.13 121.20 121.25 2qqj s ILE 583 Ca 0.00 1.23 -0.03 0.00 0.00 0.00 0.00 60.65 61.85 2qqj s ILE 583 Cb 0.00 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.70 2qqj s ILE 583 CO 0.00 -0.06 0.13 -0.83 0.00 0.00 0.00 174.94 174.18 2qqj s GLY 584 N 2.17 -0.05 0.09 6.18 0.00 -1.26 -4.26 107.32 110.18 2qqj s GLY 584 Ca 0.62 0.50 -0.21 0.00 0.00 0.00 0.00 44.72 45.63 2qqj s GLY 584 CO 0.22 0.65 0.50 -3.16 0.00 0.00 0.00 173.10 171.31 2qqj s MET 585 N 0.64 1.09 0.16 2.90 0.23 -0.39 -3.65 119.30 120.28 2qqj s MET 585 Ca -0.05 -0.41 0.07 0.00 -1.03 0.00 0.00 55.69 54.27 2qqj s MET 585 Cb -0.06 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 2qqj s MET 585 CO -0.03 -0.42 -0.16 1.03 -2.03 0.00 0.00 175.02 173.41 2qqj s ARG 586 N -3.08 1.20 -0.05 3.16 0.52 -0.05 -1.10 118.95 119.55 2qqj s ARG 586 Ca -0.02 -1.39 -0.10 0.00 -0.52 0.00 0.00 55.73 53.71 2qqj s ARG 586 Cb -0.00 -1.15 0.02 0.00 0.52 0.00 0.00 34.95 34.34 2qqj s ARG 586 CO -0.07 0.22 0.24 -1.17 0.02 0.00 0.00 175.30 174.54 2qqj s LEU 587 N -2.73 1.12 0.10 2.53 2.96 -0.34 -0.88 118.68 121.44 2qqj s LEU 587 Ca 0.15 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 2qqj s LEU 587 Cb -0.04 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.52 2qqj s LEU 587 CO 0.05 -0.23 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.04 2qqj s GLU 588 N -0.55 0.86 -0.08 1.98 2.56 0.47 -1.78 118.70 122.17 2qqj s GLU 588 Ca -0.07 -1.13 0.01 0.00 0.00 0.00 0.00 54.97 53.79 2qqj s GLU 588 Cb -0.04 -0.63 -0.03 0.00 2.00 0.00 0.00 34.13 35.43 2qqj s GLU 588 CO 0.01 0.11 -0.10 0.08 -0.56 0.00 0.00 175.26 174.80 2qqj s VAL 589 N -2.17 3.40 -0.03 3.70 1.01 -1.26 -0.53 120.40 124.52 2qqj s VAL 589 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qqj s VAL 589 Cb -0.05 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2qqj s VAL 589 CO 0.01 0.58 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 2qqj s LEU 590 N -0.55 3.21 0.00 3.92 1.43 0.06 -0.51 118.68 126.25 2qqj s LEU 590 Ca 0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2qqj s LEU 590 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2qqj s LEU 590 CO 0.02 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.53 2qqj n GLY 591 N 1.83 -0.61 3.64 -3.19 0.00 -0.31 -0.53 105.19 106.02 2qqj n GLY 591 Ca -0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 2qqj n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqj s ASP 593 N -2.72 5.78 0.33 0.00 1.01 -1.26 -0.62 116.67 119.19 2qqj s ASP 593 Ca 0.10 2.23 -0.28 0.00 0.71 0.00 0.00 52.55 55.32 2qqj s ASP 593 Cb 0.00 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.22 2qqj s ASP 593 CO -0.03 -1.18 1.23 0.79 0.21 0.00 0.00 175.17 176.19 2qqj n TRP 594 N -1.12 2.07 0.95 4.23 7.02 -1.26 -4.69 117.44 124.63 2qqj n TRP 594 Ca 0.11 0.58 0.11 0.00 -1.02 0.00 0.00 57.50 57.28 2qqj n TRP 594 Cb 0.50 -2.38 0.09 0.00 -2.42 0.00 0.00 31.31 27.10 2qqj n TRP 594 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92