#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um2 s PHE 285 N 0.00 2.21 0.98 1.43 0.40 -1.02 -0.04 117.98 121.94 1um2 s PHE 285 Ca 0.00 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 55.78 1um2 s PHE 285 Cb 0.00 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 1um2 s PHE 285 CO 0.00 0.21 -0.23 0.00 0.70 0.00 0.00 175.22 175.90 1um2 n ALA 286 N 1.39 -4.11 -1.84 5.36 0.00 -0.99 -1.59 120.51 118.73 1um2 n ALA 286 Ca -0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 1um2 n ALA 286 Cb 0.53 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1um2 n ALA 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1um2 s LYS 287 N -2.82 4.19 0.00 0.00 2.20 -1.26 -2.74 119.74 119.31 1um2 s LYS 287 Ca 0.48 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1um2 s LYS 287 Cb -0.18 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1um2 s LYS 287 CO 0.75 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 1um2 n GLY 288 N 2.72 0.69 3.55 5.54 0.00 -1.26 -4.99 105.19 111.44 1um2 n GLY 288 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1um2 n GLY 288 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1um2 s THR 289 N -2.15 3.36 0.30 2.61 2.01 -1.11 -4.88 115.64 115.78 1um2 s THR 289 Ca 0.00 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1um2 s THR 289 Cb 0.00 -3.93 -0.13 0.00 0.01 0.00 0.00 72.50 68.45 1um2 s THR 289 CO 0.00 -0.90 1.27 0.59 -0.69 0.00 0.00 174.62 174.89 1um2 n ASN 290 N 12.94 2.47 -3.03 3.53 3.02 -1.26 -2.68 115.26 130.25 1um2 n ASN 290 Ca 0.23 1.18 -0.14 0.00 -0.03 0.00 0.00 54.58 55.82 1um2 n ASN 290 Cb 0.52 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 1um2 n ASN 290 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1um2 n VAL 291 N 0.80 0.00 -3.88 2.41 0.31 -0.66 -2.38 118.33 114.92 1um2 n VAL 291 Ca 0.08 -1.05 -0.27 0.00 -0.01 0.00 0.00 64.34 63.09 1um2 n VAL 291 Cb 0.34 0.25 -0.17 0.00 -0.91 0.00 0.00 33.84 33.34 1um2 n VAL 291 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1um2 s LEU 292 N 0.00 1.31 0.45 7.52 2.96 -1.06 -3.69 118.68 126.17 1um2 s LEU 292 Ca 0.02 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1um2 s LEU 292 Cb 0.00 -0.83 -0.06 0.00 0.50 0.00 0.00 46.19 45.80 1um2 s LEU 292 CO 0.01 -0.16 0.83 -0.04 -1.32 0.00 0.00 176.35 175.68 1um2 s MET 293 N 1.70 3.76 0.00 1.98 -1.94 0.44 -1.11 119.30 124.13 1um2 s MET 293 Ca 0.03 0.54 0.10 0.00 -1.71 0.00 0.00 55.69 54.65 1um2 s MET 293 Cb -0.14 -2.32 0.51 0.00 2.01 0.00 0.00 34.83 34.90 1um2 s MET 293 CO -0.08 -0.15 1.21 0.00 -0.01 0.00 0.00 175.02 175.99 1um2 n ALA 294 N -1.62 1.64 -0.02 3.03 0.00 -1.15 -1.70 120.51 120.69 1um2 n ALA 294 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1um2 n ALA 294 Cb 0.54 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 1um2 n ALA 294 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1um2 n ASP 295 N -1.28 0.36 0.00 0.00 5.75 -1.26 -4.85 116.55 115.27 1um2 n ASP 295 Ca 0.05 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1um2 n ASP 295 Cb 0.08 0.89 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1um2 n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1um2 n GLY 296 N 1.49 1.64 3.78 6.12 0.00 -0.69 -4.92 105.19 112.61 1um2 n GLY 296 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1um2 n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um2 s SER 297 N -1.20 5.34 -0.62 1.61 1.04 -1.26 -4.69 113.70 113.91 1um2 s SER 297 Ca 0.00 1.94 -0.05 0.00 0.48 0.00 0.00 55.95 58.32 1um2 s SER 297 Cb 0.00 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.74 1um2 s SER 297 CO 0.00 -1.47 0.46 -0.63 0.98 0.00 0.00 173.24 172.58 1um2 s ILE 298 N -2.38 4.03 0.40 -1.02 1.01 -1.26 -0.42 121.20 121.57 1um2 s ILE 298 Ca 0.66 -2.69 0.01 0.00 0.00 0.00 0.00 60.65 58.63 1um2 s ILE 298 Cb -0.19 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.75 1um2 s ILE 298 CO 0.40 -0.88 0.55 -0.62 0.00 0.00 0.00 174.94 174.40 1um2 n GLU 299 N 3.80 0.28 -3.93 2.79 4.71 -1.26 -4.81 120.64 122.22 1um2 n GLU 299 Ca 0.06 -1.58 -0.21 0.00 -0.01 0.00 0.00 57.16 55.42 1um2 n GLU 299 Cb 0.40 -0.35 -0.03 0.00 -1.01 0.00 0.00 31.44 30.45 1um2 n GLU 299 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1um2 h ILE 301 N 1.25 1.25 0.02 0.00 6.09 -1.85 -1.41 117.51 122.87 1um2 h ILE 301 Ca -0.49 -1.21 -0.04 0.00 -1.37 0.00 0.00 64.86 61.75 1um2 h ILE 301 Cb 1.24 1.65 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1um2 h ILE 301 CO 0.59 0.34 -0.17 1.05 -3.07 0.00 0.00 178.15 176.90 1um2 h GLU 302 N 0.00 0.09 0.00 2.19 9.09 -1.89 -3.30 114.58 120.76 1um2 h GLU 302 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.29 1um2 h GLU 302 Cb 0.62 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1um2 h GLU 302 CO 0.05 0.96 0.00 0.09 0.05 0.00 0.00 179.01 180.15 1um2 n ASN 303 N -4.54 0.34 -4.74 3.06 5.03 -1.14 -4.74 115.26 108.53 1um2 n ASN 303 Ca -0.10 0.59 -0.41 0.00 0.87 0.00 0.00 54.58 55.52 1um2 n ASN 303 Cb 0.51 -0.66 -0.03 0.00 -1.02 0.00 0.00 39.78 38.58 1um2 n ASN 303 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1um2 s ILE 304 N -3.17 3.12 0.27 2.41 1.01 -0.54 -4.87 121.20 119.42 1um2 s ILE 304 Ca 0.05 0.94 0.08 0.00 0.00 0.00 0.00 60.65 61.72 1um2 s ILE 304 Cb 0.09 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1um2 s ILE 304 CO 0.32 0.15 0.13 -1.61 0.00 0.00 0.00 174.94 173.93 1um2 s GLU 305 N -0.30 2.64 0.49 2.79 2.02 -1.26 -5.02 118.70 120.06 1um2 s GLU 305 Ca 0.56 -1.24 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 1um2 s GLU 305 Cb -0.37 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 1um2 s GLU 305 CO 0.40 0.34 1.27 0.08 0.02 0.00 0.00 175.26 177.37 1um2 s VAL 306 N -2.24 2.60 0.00 2.63 1.01 -1.26 -2.68 120.40 120.46 1um2 s VAL 306 Ca 0.33 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1um2 s VAL 306 Cb -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1um2 s VAL 306 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1um2 n GLY 307 N 0.59 0.74 3.91 4.51 0.00 0.11 -4.99 105.19 110.05 1um2 n GLY 307 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1um2 n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1um2 s ASN 308 N -2.38 6.09 -0.09 1.61 0.02 -1.09 -4.83 114.94 114.27 1um2 s ASN 308 Ca 0.00 0.89 0.03 0.00 -1.02 0.00 0.00 52.86 52.76 1um2 s ASN 308 Cb 0.00 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.14 1um2 s ASN 308 CO 0.00 -0.71 -0.18 -0.54 0.02 0.00 0.00 177.10 175.69 1um2 s LYS 309 N -4.82 2.90 0.24 -0.60 -0.14 -1.26 -0.55 119.74 115.52 1um2 s LYS 309 Ca 0.49 -0.77 0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1um2 s LYS 309 Cb -0.10 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 1um2 s LYS 309 CO 0.45 0.35 -0.06 0.14 -0.76 0.00 0.00 175.35 175.47 1um2 s VAL 310 N -0.05 3.20 -0.45 3.17 -7.23 -0.17 -2.94 120.40 115.93 1um2 s VAL 310 Ca -0.05 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 57.91 1um2 s VAL 310 Cb -0.14 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1um2 s VAL 310 CO 0.04 -0.31 1.52 -0.32 -0.31 0.00 0.00 175.10 175.72 1um2 s MET 311 N -3.41 3.39 0.38 4.82 1.75 -0.27 -0.30 119.30 125.65 1um2 s MET 311 Ca 0.29 0.88 -0.25 0.00 -1.25 0.00 0.00 55.69 55.36 1um2 s MET 311 Cb -0.07 -4.11 -0.09 0.00 2.84 0.00 0.00 34.83 33.40 1um2 s MET 311 CO 0.18 -1.80 1.09 0.20 -0.65 0.00 0.00 175.02 174.03 1um2 s GLY 312 N 4.77 2.83 0.00 2.11 0.00 -0.44 -0.70 107.32 115.90 1um2 s GLY 312 Ca 0.63 0.81 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1um2 s GLY 312 CO 0.30 1.29 0.04 0.58 0.00 0.00 0.00 173.10 175.31 1um2 n LYS 313 N 0.19 0.05 0.00 2.90 2.85 -1.26 -1.29 118.16 121.60 1um2 n LYS 313 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1um2 n LYS 313 Cb 0.48 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 1um2 n LYS 313 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1um2 n ASP 314 N 0.72 0.11 0.00 -5.58 5.75 -1.26 -4.95 116.55 111.34 1um2 n ASP 314 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1um2 n ASP 314 Cb 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1um2 n ASP 314 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1um2 n GLY 315 N -0.02 3.13 3.70 6.12 0.00 -0.41 -4.88 105.19 112.83 1um2 n GLY 315 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1um2 n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um2 s ARG 316 N 0.00 1.08 0.69 1.61 0.52 -1.26 -4.65 118.95 116.95 1um2 s ARG 316 Ca 0.00 0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 56.04 1um2 s ARG 316 Cb 0.00 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.74 1um2 s ARG 316 CO 0.00 -2.38 1.00 -1.25 0.02 0.00 0.00 175.30 172.69 1um2 s PRO 317 N -4.87 2.25 -0.04 3.54 0.04 -1.26 -1.33 135.00 133.33 1um2 s PRO 317 Ca 0.64 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.43 1um2 s PRO 317 Cb -0.19 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1um2 s PRO 317 CO 0.58 -1.18 -0.08 1.03 0.04 0.00 0.00 177.00 177.38 1um2 s ARG 318 N -5.21 1.05 -0.18 4.56 1.81 0.59 -4.69 118.95 116.88 1um2 s ARG 318 Ca 0.60 -0.25 -0.25 0.00 -1.72 0.00 0.00 55.73 54.11 1um2 s ARG 318 Cb -0.11 -0.97 -0.01 0.00 -0.45 0.00 0.00 34.95 33.41 1um2 s ARG 318 CO 0.44 0.02 0.83 -1.21 -0.68 0.00 0.00 175.30 174.70 1um2 s GLU 319 N 0.55 4.28 0.19 3.54 2.02 -1.26 -1.00 118.70 127.03 1um2 s GLU 319 Ca -0.09 1.00 -0.27 0.00 0.02 0.00 0.00 54.97 55.63 1um2 s GLU 319 Cb -0.12 -3.58 -0.08 0.00 0.10 0.00 0.00 34.13 30.44 1um2 s GLU 319 CO 0.01 -0.34 0.85 0.08 0.02 0.00 0.00 175.26 175.88 1um2 s VAL 320 N 2.21 4.26 0.00 2.63 1.01 0.29 -3.18 120.40 127.61 1um2 s VAL 320 Ca 0.38 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.23 1um2 s VAL 320 Cb -0.16 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1um2 s VAL 320 CO 0.12 0.50 0.00 2.30 0.00 0.00 0.00 175.10 178.02 1um2 n ILE 321 N 1.62 0.00 -3.28 2.22 -5.35 -1.16 -0.71 119.36 112.71 1um2 n ILE 321 Ca -0.04 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.28 1um2 n ILE 321 Cb 0.48 -0.58 0.04 0.00 -1.74 0.00 0.00 39.64 37.83 1um2 n ILE 321 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1um2 n LYS 322 N -2.34 0.75 -2.86 6.28 5.02 -1.21 -4.82 118.16 118.97 1um2 n LYS 322 Ca 0.00 -2.50 -0.12 0.00 -2.02 0.00 0.00 58.31 53.67 1um2 n LYS 322 Cb 0.19 -0.04 0.04 0.00 -0.02 0.00 0.00 35.03 35.20 1um2 n LYS 322 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1um2 n LEU 323 N 0.00 -1.75 -4.40 -0.35 4.77 -1.26 -4.37 117.00 109.64 1um2 n LEU 323 Ca 0.08 -3.89 -0.58 0.00 -0.03 0.00 0.00 56.01 51.59 1um2 n LEU 323 Cb 0.47 0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 42.29 1um2 n LEU 323 CO 0.30 2.08 1.64 -2.65 -1.33 0.00 0.00 177.39 177.42 1um2 n PRO 324 N 0.93 0.38 -4.43 3.23 -0.02 -1.18 -4.69 135.00 129.21 1um2 n PRO 324 Ca 0.12 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.44 1um2 n PRO 324 Cb 0.65 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1um2 n PRO 324 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1um2 s ARG 325 N 5.45 2.06 0.00 -0.52 1.81 -1.26 0.46 118.95 126.95 1um2 s ARG 325 Ca 1.14 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1um2 s ARG 325 Cb -1.30 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 1um2 s ARG 325 CO 0.64 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.60 1um2 n GLY 326 N -1.07 0.53 3.38 -3.53 0.00 -1.23 -4.99 105.19 98.28 1um2 n GLY 326 Ca -0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1um2 n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um2 s ARG 327 N -2.00 1.18 0.00 1.61 0.52 -1.26 -2.18 118.95 116.82 1um2 s ARG 327 Ca 0.00 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1um2 s ARG 327 Cb 0.00 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.89 1um2 s ARG 327 CO 0.00 -0.45 0.00 -1.91 0.02 0.00 0.00 175.30 172.96 1um2 n GLU 328 N -0.24 -1.34 -2.50 3.54 2.13 -0.84 -4.96 120.64 116.43 1um2 n GLU 328 Ca -0.10 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.37 1um2 n GLU 328 Cb 0.63 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.31 1um2 n GLU 328 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1um2 s THR 329 N -3.00 3.66 -0.03 6.31 2.01 -1.26 -2.06 115.64 121.27 1um2 s THR 329 Ca 0.00 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.19 1um2 s THR 329 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 1um2 s THR 329 CO 0.00 -0.14 -0.25 -0.04 -0.69 0.00 0.00 174.62 173.49 1um2 s MET 330 N -2.99 2.26 -0.10 4.92 -1.94 -1.09 -2.31 119.30 118.05 1um2 s MET 330 Ca 0.65 -0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1um2 s MET 330 Cb -0.19 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1um2 s MET 330 CO 0.24 0.51 -0.08 0.71 -0.01 0.00 0.00 175.02 176.39 1um2 s TYR 331 N -0.49 2.92 -0.46 -0.03 1.51 0.90 -1.03 117.35 120.67 1um2 s TYR 331 Ca 0.06 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.75 1um2 s TYR 331 Cb -0.11 -1.80 0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1um2 s TYR 331 CO 0.00 0.11 0.43 -1.54 -1.11 0.00 0.00 175.55 173.45 1um2 s SER 332 N -0.25 6.16 0.08 2.29 1.04 -1.04 0.28 113.70 122.26 1um2 s SER 332 Ca 0.03 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.09 1um2 s SER 332 Cb -0.13 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1um2 s SER 332 CO 0.03 -0.65 0.92 -0.69 0.98 0.00 0.00 173.24 173.82 1um2 s VAL 333 N 1.91 4.61 -0.11 5.02 1.01 0.96 -2.94 120.40 130.87 1um2 s VAL 333 Ca 0.07 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 63.99 1um2 s VAL 333 Cb -0.21 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 31.94 1um2 s VAL 333 CO 0.09 0.30 0.22 0.54 0.00 0.00 0.00 175.10 176.25 1um2 s VAL 334 N 0.17 -0.27 -0.14 2.92 0.11 0.11 -1.27 120.40 122.03 1um2 s VAL 334 Ca 0.46 0.27 -0.40 0.00 -2.93 0.00 0.00 61.98 59.38 1um2 s VAL 334 Cb -0.22 -0.38 -0.18 0.00 -1.53 0.00 0.00 36.38 34.07 1um2 s VAL 334 CO 0.28 0.11 1.45 1.67 -3.33 0.00 0.00 175.10 175.28 1um2 n GLN 335 N 5.04 0.72 -2.93 1.54 7.27 -0.19 0.11 117.38 128.95 1um2 n GLN 335 Ca -0.11 0.26 -0.41 0.00 0.07 0.00 0.00 57.00 56.81 1um2 n GLN 335 Cb 0.50 -1.86 -0.04 0.00 2.41 0.00 0.00 30.24 31.25 1um2 n GLN 335 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1um2 s LYS 336 N 1.74 4.23 0.00 3.69 2.20 -0.76 -4.66 119.74 126.19 1um2 s LYS 336 Ca 0.93 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1um2 s LYS 336 Cb -1.15 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 31.57 1um2 s LYS 336 CO 0.61 -0.39 0.00 -1.13 -0.36 0.00 0.00 175.35 174.07 1um2 n SER 337 N 5.52 0.00 -0.48 1.43 3.41 -1.26 -4.73 113.62 117.51 1um2 n SER 337 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 1um2 n SER 337 Cb 0.48 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.62 1um2 n SER 337 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1um2 n PRO 351 N 0.00 1.65 -0.55 4.33 -0.02 -1.26 -5.19 135.00 133.95 1um2 n PRO 351 Ca 0.00 -2.92 -0.03 0.00 -2.02 0.00 0.00 63.50 58.52 1um2 n PRO 351 Cb 0.00 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1um2 n PRO 351 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1um2 n GLU 352 N -1.19 1.10 -2.34 -0.52 -0.58 -1.26 -4.93 120.64 110.92 1um2 n GLU 352 Ca 0.20 -0.28 -0.37 0.00 -0.42 0.00 0.00 57.16 56.29 1um2 n GLU 352 Cb 0.74 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 1um2 n GLU 352 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1um2 s LEU 353 N 0.00 4.08 -0.20 -4.62 1.43 -1.26 -5.00 118.68 113.11 1um2 s LEU 353 Ca 0.18 2.24 -0.26 0.00 -1.03 0.00 0.00 54.13 55.26 1um2 s LEU 353 Cb 0.09 -4.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 1um2 s LEU 353 CO 0.00 -0.76 0.87 -0.76 0.23 0.00 0.00 176.35 175.93 1um2 s LEU 354 N -2.84 4.14 0.06 1.79 1.43 -1.26 -4.91 118.68 117.09 1um2 s LEU 354 Ca 0.61 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1um2 s LEU 354 Cb -0.27 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1um2 s LEU 354 CO 0.33 -0.48 -0.01 -1.59 0.23 0.00 0.00 176.35 174.83 1um2 s LYS 355 N 2.53 0.64 -0.29 1.70 -2.85 -1.26 -1.02 119.74 119.19 1um2 s LYS 355 Ca 0.39 -1.22 -0.21 0.00 -1.00 0.00 0.00 55.97 53.92 1um2 s LYS 355 Cb -0.16 0.22 0.14 0.00 -2.06 0.00 0.00 37.83 35.97 1um2 s LYS 355 CO 0.10 -0.13 1.07 -0.59 0.10 0.00 0.00 175.35 175.90 1um2 s PHE 356 N -3.93 -0.44 -0.19 1.78 -0.12 -0.40 -5.00 117.98 109.68 1um2 s PHE 356 Ca 0.08 0.98 -0.09 0.00 -0.05 0.00 0.00 56.93 57.85 1um2 s PHE 356 Cb 0.08 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1um2 s PHE 356 CO -0.09 -0.22 0.11 0.99 -0.05 0.00 0.00 175.22 175.96 1um2 s THR 357 N 0.67 5.20 0.27 -4.49 2.01 -1.26 -0.03 115.64 118.01 1um2 s THR 357 Ca -0.02 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1um2 s THR 357 Cb -0.04 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1um2 s THR 357 CO -0.11 0.45 0.15 0.00 -0.69 0.00 0.00 174.62 174.42 1um2 s ASN 359 N -2.76 7.40 0.21 0.00 4.22 0.94 -0.07 114.94 124.88 1um2 s ASN 359 Ca 0.21 1.66 0.09 0.00 -2.14 0.00 0.00 52.86 52.69 1um2 s ASN 359 Cb 0.01 -2.52 0.50 0.00 1.28 0.00 0.00 41.25 40.52 1um2 s ASN 359 CO 0.15 0.11 1.16 0.00 -2.04 0.00 0.00 177.10 176.47 1um2 n ALA 360 N 2.10 0.65 0.11 3.54 0.00 -0.98 0.11 120.51 126.05 1um2 n ALA 360 Ca -0.03 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.60 1um2 n ALA 360 Cb 0.49 -0.77 0.20 0.00 0.00 0.00 0.00 19.45 19.38 1um2 n ALA 360 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1um2 n THR 361 N -1.82 0.63 -2.04 0.00 5.66 -1.26 -2.58 114.28 112.86 1um2 n THR 361 Ca -0.01 -0.81 -0.42 0.00 -3.05 0.00 0.00 64.05 59.76 1um2 n THR 361 Cb 0.26 0.84 -0.03 0.00 -1.55 0.00 0.00 70.33 69.85 1um2 n THR 361 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1um2 s ASN 362 N -1.25 6.70 -0.55 1.09 3.04 0.30 -4.71 114.94 119.57 1um2 s ASN 362 Ca 0.35 2.55 -0.23 0.00 0.04 0.00 0.00 52.86 55.57 1um2 s ASN 362 Cb 0.20 -2.61 0.04 0.00 -1.54 0.00 0.00 41.25 37.35 1um2 s ASN 362 CO 0.27 -0.71 0.89 -1.61 -3.04 0.00 0.00 177.10 172.91 1um2 s GLU 363 N 0.40 3.30 0.24 0.43 2.02 -1.26 0.22 118.70 124.05 1um2 s GLU 363 Ca 0.63 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.96 1um2 s GLU 363 Cb -0.41 -4.06 -0.09 0.00 0.10 0.00 0.00 34.13 29.67 1um2 s GLU 363 CO 0.36 -1.45 1.17 -0.51 0.02 0.00 0.00 175.26 174.86 1um2 s LEU 364 N 3.75 4.49 -0.01 1.80 1.43 0.56 -3.83 118.68 126.87 1um2 s LEU 364 Ca 0.28 2.30 -0.21 0.00 -1.03 0.00 0.00 54.13 55.47 1um2 s LEU 364 Cb -0.14 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1um2 s LEU 364 CO 0.18 -0.30 0.60 -0.69 0.23 0.00 0.00 176.35 176.37 1um2 s VAL 365 N -0.61 4.93 0.29 -1.59 1.01 -1.26 -2.45 120.40 120.72 1um2 s VAL 365 Ca 0.49 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 1um2 s VAL 365 Cb -0.33 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1um2 s VAL 365 CO 0.40 0.40 0.44 0.68 0.00 0.00 0.00 175.10 177.02 1um2 s VAL 366 N -0.05 0.00 0.05 2.92 -7.23 -0.68 -4.30 120.40 111.10 1um2 s VAL 366 Ca 0.32 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1um2 s VAL 366 Cb -0.18 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1um2 s VAL 366 CO 0.17 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.78 1um2 s ARG 367 N -3.54 0.57 -0.13 4.82 0.52 0.55 -2.22 118.95 119.52 1um2 s ARG 367 Ca 0.28 -0.96 -0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1um2 s ARG 367 Cb 0.00 -0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.45 1um2 s ARG 367 CO 0.15 -0.02 0.29 0.99 0.02 0.00 0.00 175.30 176.73 1um2 s THR 368 N -2.44 -0.30 0.34 0.02 2.01 -0.79 -1.72 115.64 112.75 1um2 s THR 368 Ca -0.03 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 1um2 s THR 368 Cb -0.03 -0.47 -0.13 0.00 0.01 0.00 0.00 72.50 71.89 1um2 s THR 368 CO -0.03 0.09 1.17 -0.81 -0.69 0.00 0.00 174.62 174.35 1um2 n PRO 369 N 4.95 1.80 -1.51 4.92 -0.04 -1.26 -0.65 135.00 143.22 1um2 n PRO 369 Ca -0.13 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.67 1um2 n PRO 369 Cb 0.51 -2.15 0.16 0.00 -0.04 0.00 0.00 33.50 31.98 1um2 n PRO 369 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1um2 s ARG 370 N -1.80 0.70 -0.29 0.54 0.52 -1.07 -4.80 118.95 112.74 1um2 s ARG 370 Ca 0.57 0.15 -0.24 0.00 -0.52 0.00 0.00 55.73 55.69 1um2 s ARG 370 Cb -0.61 -1.80 0.17 0.00 0.52 0.00 0.00 34.95 33.23 1um2 s ARG 370 CO 0.61 -2.47 1.29 0.45 0.02 0.00 0.00 175.30 175.20 1um2 s SER 371 N -4.10 -0.19 -0.28 0.23 0.15 -1.26 -4.94 113.70 103.30 1um2 s SER 371 Ca 0.66 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 1um2 s SER 371 Cb -0.13 0.44 0.10 0.00 -1.71 0.00 0.00 66.02 64.72 1um2 s SER 371 CO 0.54 -0.06 0.66 0.54 1.20 0.00 0.00 173.24 176.12 1um2 s VAL 372 N 0.19 -0.39 0.00 4.45 0.11 -1.26 -2.16 120.40 121.35 1um2 s VAL 372 Ca 0.05 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1um2 s VAL 372 Cb -0.05 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1um2 s VAL 372 CO -0.12 0.00 -0.04 0.00 -3.33 0.00 0.00 175.10 171.61 1um2 s ARG 373 N 2.12 0.33 -0.57 1.54 1.70 -0.42 -5.00 118.95 118.66 1um2 s ARG 373 Ca -0.08 -0.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.94 1um2 s ARG 373 Cb -0.08 -0.28 0.15 0.00 -0.57 0.00 0.00 34.95 34.17 1um2 s ARG 373 CO -0.19 0.07 0.37 0.50 -1.08 0.00 0.00 175.30 174.97 1um2 s ARG 374 N -0.30 2.39 0.00 3.89 3.52 -1.26 -1.46 118.95 125.73 1um2 s ARG 374 Ca -0.00 -2.39 0.00 0.00 -0.13 0.00 0.00 55.73 53.21 1um2 s ARG 374 Cb -0.03 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1um2 s ARG 374 CO -0.00 -1.15 0.00 1.47 -0.81 0.00 0.00 175.30 174.81 1um2 n LEU 375 N 3.69 0.00 -3.22 -0.88 -0.00 0.00 -4.95 117.00 111.64 1um2 n LEU 375 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.05 1um2 n LEU 375 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.78 1um2 n LEU 375 CO 0.33 0.00 0.04 -0.44 -0.00 0.00 0.00 177.39 177.32 1um2 s SER 376 N -1.00 -0.89 0.29 1.45 0.01 -1.26 -3.31 113.70 108.99 1um2 s SER 376 Ca 0.00 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 56.93 1um2 s SER 376 Cb 0.00 1.67 -0.03 0.00 0.21 0.00 0.00 66.02 67.87 1um2 s SER 376 CO 0.00 -0.27 0.24 -0.60 0.41 0.00 0.00 173.24 173.02 1um2 s ARG 377 N 2.33 2.81 -0.19 12.44 3.52 -0.11 -4.91 118.95 134.85 1um2 s ARG 377 Ca 0.12 -1.18 0.01 0.00 -0.13 0.00 0.00 55.73 54.55 1um2 s ARG 377 Cb -0.09 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1um2 s ARG 377 CO -0.19 0.25 -0.19 0.99 -0.81 0.00 0.00 175.30 175.35 1um2 s THR 378 N -2.22 2.05 -1.25 4.11 2.01 -1.26 0.33 115.64 119.41 1um2 s THR 378 Ca 0.37 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1um2 s THR 378 Cb -0.07 -1.88 0.17 0.00 0.01 0.00 0.00 72.50 70.73 1um2 s THR 378 CO 0.26 0.49 1.67 -0.38 -0.69 0.00 0.00 174.62 175.97 1um2 n ILE 379 N 4.61 4.30 -2.98 1.82 2.08 0.76 -4.71 119.36 125.24 1um2 n ILE 379 Ca -0.20 -4.55 -0.07 0.00 0.56 0.00 0.00 62.75 58.48 1um2 n ILE 379 Cb 0.49 -2.41 0.01 0.00 -0.75 0.00 0.00 39.64 36.98 1um2 n ILE 379 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1um2 n LYS 380 N 4.72 -2.22 0.00 0.38 5.02 -1.26 -3.48 118.16 121.32 1um2 n LYS 380 Ca 0.39 1.95 0.00 0.00 -2.02 0.00 0.00 58.31 58.62 1um2 n LYS 380 Cb 0.39 -3.85 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 1um2 n LYS 380 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1um2 n GLY 381 N 0.52 2.54 3.20 0.72 0.00 -1.26 -4.98 105.19 105.93 1um2 n GLY 381 Ca 0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1um2 n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1um2 s VAL 382 N -1.12 2.74 -0.29 1.61 1.01 -1.23 -5.10 120.40 118.02 1um2 s VAL 382 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 1um2 s VAL 382 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1um2 s VAL 382 CO 0.00 0.39 0.83 -1.61 0.00 0.00 0.00 175.10 174.70 1um2 s GLU 383 N 1.36 4.03 0.14 2.72 2.02 -1.26 0.27 118.70 127.98 1um2 s GLU 383 Ca 0.04 0.72 0.05 0.00 0.02 0.00 0.00 54.97 55.80 1um2 s GLU 383 Cb -0.15 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 1um2 s GLU 383 CO -0.07 -0.66 0.09 0.71 0.02 0.00 0.00 175.26 175.35 1um2 s TYR 384 N 2.99 3.09 -1.07 1.61 1.51 1.00 0.93 117.35 127.41 1um2 s TYR 384 Ca 0.34 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.27 1um2 s TYR 384 Cb -0.14 -1.51 0.25 0.00 -0.11 0.00 0.00 41.96 40.44 1um2 s TYR 384 CO 0.11 0.52 1.10 -0.06 -1.11 0.00 0.00 175.55 176.11 1um2 s PHE 385 N -1.63 4.02 0.26 2.71 0.08 0.34 -0.94 117.98 122.82 1um2 s PHE 385 Ca 0.29 -2.43 -0.29 0.00 0.12 0.00 0.00 56.93 54.62 1um2 s PHE 385 Cb -0.10 -3.92 -0.09 0.00 -0.57 0.00 0.00 43.02 38.33 1um2 s PHE 385 CO 0.22 -1.05 1.20 -2.00 -0.10 0.00 0.00 175.22 173.49 1um2 s GLU 386 N -0.41 4.50 -0.28 0.44 2.12 -1.21 -3.64 118.70 120.22 1um2 s GLU 386 Ca 0.30 1.95 0.02 0.00 0.36 0.00 0.00 54.97 57.60 1um2 s GLU 386 Cb -0.09 -3.17 0.08 0.00 0.26 0.00 0.00 34.13 31.21 1um2 s GLU 386 CO -0.07 -0.02 -0.01 0.08 -0.54 0.00 0.00 175.26 174.71 1um2 s VAL 387 N -0.72 1.67 -0.13 3.70 1.01 -0.99 -0.82 120.40 124.12 1um2 s VAL 387 Ca 0.49 -1.58 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1um2 s VAL 387 Cb -0.35 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1um2 s VAL 387 CO 0.42 -0.32 0.28 -0.63 0.00 0.00 0.00 175.10 174.86 1um2 s ILE 388 N 1.28 5.30 0.10 2.22 1.01 -0.54 -2.17 121.20 128.39 1um2 s ILE 388 Ca 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 1um2 s ILE 388 Cb -0.19 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1um2 s ILE 388 CO -0.10 0.47 0.09 0.42 0.00 0.00 0.00 174.94 175.82 1um2 s THR 389 N -0.09 0.15 -0.23 2.92 -4.23 -0.25 -1.30 115.64 112.61 1um2 s THR 389 Ca 0.17 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1um2 s THR 389 Cb -0.13 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1um2 s THR 389 CO 0.05 -0.67 0.08 -0.36 -0.54 0.00 0.00 174.62 173.19 1um2 s PHE 390 N -3.95 3.16 0.13 3.99 0.40 -0.92 -0.24 117.98 120.55 1um2 s PHE 390 Ca 0.13 -0.17 -0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1um2 s PHE 390 Cb 0.06 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.39 1um2 s PHE 390 CO -0.06 -0.15 0.26 -1.83 0.70 0.00 0.00 175.22 174.15 1um2 s GLU 391 N 1.18 1.03 -0.05 0.44 -1.05 -0.65 -4.55 118.70 115.05 1um2 s GLU 391 Ca 0.05 -1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 1um2 s GLU 391 Cb -0.14 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1um2 s GLU 391 CO 0.04 -0.36 1.49 -1.64 0.95 0.00 0.00 175.26 175.73 1um2 s MET 392 N -3.91 4.23 0.28 -4.83 -1.94 -1.26 -1.26 119.30 110.61 1um2 s MET 392 Ca 0.11 2.01 -0.11 0.00 -1.71 0.00 0.00 55.69 56.00 1um2 s MET 392 Cb 0.04 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.10 1um2 s MET 392 CO -0.06 -0.72 0.49 0.20 -0.01 0.00 0.00 175.02 174.93 1um2 s GLY 393 N 2.51 0.75 0.36 -0.03 0.00 0.45 -4.93 107.32 106.43 1um2 s GLY 393 Ca 0.66 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 44.44 1um2 s GLY 393 CO 0.26 -0.70 0.13 1.20 0.00 0.00 0.00 173.10 173.98 1um2 s GLN 394 N -3.68 2.27 -0.28 2.90 -0.21 -1.26 -1.55 119.66 117.85 1um2 s GLN 394 Ca 0.24 -1.67 -0.20 0.00 0.02 0.00 0.00 55.36 53.75 1um2 s GLN 394 Cb -0.01 -2.07 0.09 0.00 1.00 0.00 0.00 33.01 32.02 1um2 s GLN 394 CO 0.12 0.05 0.77 0.21 -2.12 0.00 0.00 175.29 174.32 1um2 s LYS 395 N -3.84 0.69 0.14 2.91 2.20 -1.04 -4.97 119.74 115.83 1um2 s LYS 395 Ca 0.38 1.01 -0.20 0.00 -0.36 0.00 0.00 55.97 56.80 1um2 s LYS 395 Cb -0.00 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.47 1um2 s LYS 395 CO 0.22 -0.12 0.65 0.21 -0.36 0.00 0.00 175.35 175.95 1um2 s LYS 396 N 1.04 4.26 0.18 4.03 2.20 -1.26 -1.59 119.74 128.60 1um2 s LYS 396 Ca -0.05 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1um2 s LYS 396 Cb -0.05 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.19 1um2 s LYS 396 CO -0.11 0.55 0.25 0.00 -0.36 0.00 0.00 175.35 175.68 1um2 n ALA 397 N 1.33 0.18 1.27 3.13 0.00 -0.92 -4.93 120.51 120.56 1um2 n ALA 397 Ca -0.07 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 52.95 1um2 n ALA 397 Cb 0.51 0.12 0.51 0.00 0.00 0.00 0.00 19.45 20.59 1um2 n ALA 397 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1um2 n PRO 398 N -1.44 0.55 -0.12 0.00 -0.02 -1.26 -3.93 135.00 128.78 1um2 n PRO 398 Ca 0.05 -0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 1um2 n PRO 398 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1um2 n PRO 398 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1um2 h ASP 399 N 0.56 0.61 0.00 2.55 2.03 -2.04 -3.48 116.42 116.66 1um2 h ASP 399 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1um2 h ASP 399 Cb 0.42 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1um2 h ASP 399 CO 0.00 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.59 1um2 n GLY 400 N -0.36 0.39 2.37 7.15 0.00 -1.25 -5.15 105.19 108.34 1um2 n GLY 400 Ca -0.02 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1um2 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1um2 n ARG 401 N 0.00 0.00 -3.49 1.61 1.74 -1.26 -4.49 116.66 110.77 1um2 n ARG 401 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1um2 n ARG 401 Cb 0.00 -0.76 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 1um2 n ARG 401 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1um2 s ILE 402 N -1.52 4.70 0.25 0.55 -1.09 -1.26 -2.17 121.20 120.66 1um2 s ILE 402 Ca 0.37 -1.32 -0.27 0.00 -2.23 0.00 0.00 60.65 57.20 1um2 s ILE 402 Cb -0.25 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.66 1um2 s ILE 402 CO 0.57 -0.60 0.89 -0.69 -1.23 0.00 0.00 174.94 173.88 1um2 s VAL 403 N 1.52 4.23 -0.39 2.92 1.01 -0.62 -4.92 120.40 124.14 1um2 s VAL 403 Ca 0.04 1.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 1um2 s VAL 403 Cb -0.24 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1um2 s VAL 403 CO 0.04 0.35 0.27 -0.70 0.00 0.00 0.00 175.10 175.06 1um2 s GLU 404 N -1.57 3.05 0.09 2.72 2.12 -1.26 -2.49 118.70 121.36 1um2 s GLU 404 Ca 0.43 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1um2 s GLU 404 Cb -0.22 -3.91 -0.00 0.00 0.26 0.00 0.00 34.13 30.26 1um2 s GLU 404 CO 0.27 -0.68 0.11 1.47 -0.54 0.00 0.00 175.26 175.88 1um2 n LEU 405 N 5.13 0.00 -4.88 2.70 -0.00 -0.60 -4.94 117.00 114.41 1um2 n LEU 405 Ca -0.11 -0.73 -0.34 0.00 -0.00 0.00 0.00 56.01 54.83 1um2 n LEU 405 Cb 0.47 0.56 -0.05 0.00 -0.00 0.00 0.00 43.42 44.40 1um2 n LEU 405 CO 0.40 -0.15 -0.03 -0.69 -0.00 0.00 0.00 177.39 176.91 1um2 s VAL 406 N -2.47 5.25 0.03 1.47 1.01 -1.26 -0.41 120.40 124.02 1um2 s VAL 406 Ca 0.08 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1um2 s VAL 406 Cb -0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1um2 s VAL 406 CO 0.06 0.33 0.12 -0.54 0.00 0.00 0.00 175.10 175.07 1um2 s LYS 407 N -1.84 0.58 -0.35 2.72 1.02 -0.39 -4.79 119.74 116.69 1um2 s LYS 407 Ca 0.29 -0.64 -0.24 0.00 0.02 0.00 0.00 55.97 55.40 1um2 s LYS 407 Cb -0.13 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1um2 s LYS 407 CO 0.17 -0.15 0.81 -2.00 -0.92 0.00 0.00 175.35 173.26 1um2 s GLU 408 N -2.29 3.81 0.05 1.68 2.12 -1.26 -1.64 118.70 121.17 1um2 s GLU 408 Ca -0.08 0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1um2 s GLU 408 Cb -0.03 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1um2 s GLU 408 CO -0.03 -0.83 0.09 0.08 -0.54 0.00 0.00 175.26 174.03 1um2 s VAL 409 N 3.14 4.66 -0.04 3.70 1.01 0.67 -4.94 120.40 128.60 1um2 s VAL 409 Ca 0.33 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1um2 s VAL 409 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1um2 s VAL 409 CO 0.16 0.20 -0.07 -0.55 0.00 0.00 0.00 175.10 174.84 1um2 s SER 410 N -2.20 1.15 -0.31 3.32 0.15 -1.26 -1.09 113.70 113.47 1um2 s SER 410 Ca 0.28 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1um2 s SER 410 Cb -0.12 -0.49 0.10 0.00 -1.71 0.00 0.00 66.02 63.80 1um2 s SER 410 CO 0.20 -0.01 0.13 -0.54 1.20 0.00 0.00 173.24 174.22 1um2 s LYS 411 N 0.67 0.42 -0.12 5.44 1.02 -0.92 -4.96 119.74 121.28 1um2 s LYS 411 Ca -0.10 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.00 1um2 s LYS 411 Cb -0.13 -1.49 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 1um2 s LYS 411 CO 0.01 -1.03 0.13 -1.54 -0.92 0.00 0.00 175.35 172.01 1um2 s SER 412 N 1.81 6.31 0.07 2.83 1.04 -1.26 -2.35 113.70 122.15 1um2 s SER 412 Ca 0.10 0.43 0.06 0.00 0.48 0.00 0.00 55.95 57.02 1um2 s SER 412 Cb -0.17 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1um2 s SER 412 CO -0.29 0.39 -0.16 -0.31 0.98 0.00 0.00 173.24 173.85 1um2 s TYR 413 N -0.92 1.34 0.65 5.02 2.02 -1.24 -4.89 117.35 119.33 1um2 s TYR 413 Ca 0.14 -0.43 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 1um2 s TYR 413 Cb -0.12 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 1um2 s TYR 413 CO 0.03 0.08 1.22 -2.14 -1.57 0.00 0.00 175.55 173.17 1um2 s PRO 414 N -1.63 2.59 0.00 -1.71 0.02 -1.26 0.13 135.00 133.14 1um2 s PRO 414 Ca 0.01 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1um2 s PRO 414 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1um2 s PRO 414 CO 0.02 -1.50 0.51 -0.89 -0.33 0.00 0.00 177.00 174.82 1um2 n ILE 415 N -2.10 0.00 0.00 2.83 2.08 0.26 -3.22 119.36 119.22 1um2 n ILE 415 Ca 0.14 1.01 0.00 0.00 0.56 0.00 0.00 62.75 64.46 1um2 n ILE 415 Cb 0.50 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 1um2 n ILE 415 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1um2 n SER 416 N -0.66 0.00 0.00 4.38 3.41 -1.26 0.53 113.62 120.02 1um2 n SER 416 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1um2 n SER 416 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1um2 n SER 416 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1um2 n GLU 417 N -2.15 0.41 -1.56 4.33 1.02 -1.20 -4.93 120.64 116.56 1um2 n GLU 417 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1um2 n GLU 417 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1um2 n GLU 417 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1um2 n GLY 418 N -0.13 -4.84 0.00 0.62 0.00 0.19 -4.57 105.19 96.46 1um2 n GLY 418 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1um2 n GLY 418 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um2 n PRO 419 N 1.23 0.11 -0.28 1.61 -0.04 -1.26 -3.49 135.00 132.87 1um2 n PRO 419 Ca 0.00 0.00 0.34 0.00 -0.04 0.00 0.00 63.50 63.80 1um2 n PRO 419 Cb 0.00 -1.04 0.74 0.00 -0.04 0.00 0.00 33.50 33.16 1um2 n PRO 419 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1um2 h GLU 420 N 0.00 0.00 0.00 0.54 5.08 -1.95 0.22 114.58 118.47 1um2 h GLU 420 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1um2 h GLU 420 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1um2 h GLU 420 CO 0.00 0.00 -1.70 -2.13 -1.00 0.00 0.00 179.01 174.18 1um2 n ARG 421 N -4.17 0.56 -0.40 2.33 0.63 -1.23 -2.95 116.66 111.44 1um2 n ARG 421 Ca 0.24 0.42 0.36 0.00 -0.92 0.00 0.00 57.85 57.95 1um2 n ARG 421 Cb 1.18 -1.62 0.64 0.00 0.45 0.00 0.00 32.46 33.11 1um2 n ARG 421 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1um2 n ALA 422 N -3.84 1.21 0.15 5.13 0.00 -0.76 0.36 120.51 122.75 1um2 n ALA 422 Ca -0.38 0.94 -0.08 0.00 0.00 0.00 0.00 53.44 53.92 1um2 n ALA 422 Cb 0.72 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1um2 n ALA 422 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1um2 h ASN 423 N 0.00 -0.38 -1.34 0.00 2.35 -0.74 -2.87 115.58 112.60 1um2 h ASN 423 Ca 0.87 -0.04 0.40 0.00 -0.55 0.00 0.00 56.30 56.97 1um2 h ASN 423 Cb 2.56 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 40.94 1um2 h ASN 423 CO -0.61 0.08 0.91 -0.33 -1.65 0.00 0.00 177.43 175.83 1um2 h GLU 424 N -1.09 0.11 0.66 0.81 5.08 0.02 0.42 114.58 120.59 1um2 h GLU 424 Ca -0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1um2 h GLU 424 Cb 0.40 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1um2 h GLU 424 CO 0.08 0.07 -0.32 1.25 -1.00 0.00 0.00 179.01 179.09 1um2 h LEU 425 N 0.12 -0.75 -1.45 1.33 5.85 -0.90 -1.52 115.31 117.98 1um2 h LEU 425 Ca 0.73 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.76 1um2 h LEU 425 Cb 2.48 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 43.61 1um2 h LEU 425 CO -0.23 -0.45 0.69 0.58 -0.34 0.00 0.00 178.44 178.69 1um2 h VAL 426 N -1.05 0.50 0.00 1.05 2.07 -0.06 -0.47 116.25 118.28 1um2 h VAL 426 Ca -0.09 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1um2 h VAL 426 Cb 0.68 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1um2 h VAL 426 CO 0.15 0.06 -0.82 -0.33 0.02 0.00 0.00 177.57 176.65 1um2 h GLU 427 N 0.33 0.00 -0.20 1.57 4.39 -0.74 -2.33 114.58 117.60 1um2 h GLU 427 Ca 0.59 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 60.09 1um2 h GLU 427 Cb 1.63 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1um2 h GLU 427 CO -0.26 0.82 -0.67 0.77 -1.16 0.00 0.00 179.01 178.51 1um2 h SER 428 N 0.00 0.94 -0.29 1.42 0.02 -0.04 -2.82 113.55 112.78 1um2 h SER 428 Ca -0.01 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1um2 h SER 428 Cb 1.45 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1um2 h SER 428 CO 0.11 1.37 0.16 0.22 -1.14 0.00 0.00 176.83 177.55 1um2 h TYR 429 N 0.56 0.39 0.00 3.45 3.20 -1.43 -2.63 116.97 120.50 1um2 h TYR 429 Ca -0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1um2 h TYR 429 Cb 1.29 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1um2 h TYR 429 CO 0.08 0.31 0.00 0.00 -1.64 0.00 0.00 178.16 176.91 1um2 h ARG 430 N 0.36 0.00 0.00 1.82 3.08 -1.32 -3.12 114.38 115.20 1um2 h ARG 430 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1um2 h ARG 430 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1um2 h ARG 430 CO -0.02 0.00 -0.05 0.36 -1.07 0.00 0.00 179.97 179.19 1um2 n LYS 431 N -2.78 1.67 0.13 0.04 2.85 -1.07 -4.80 118.16 114.20 1um2 n LYS 431 Ca -0.01 -1.85 -0.24 0.00 -1.05 0.00 0.00 58.31 55.16 1um2 n LYS 431 Cb 0.15 -1.13 -0.15 0.00 -0.65 0.00 0.00 35.03 33.25 1um2 n LYS 431 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1um2 h ALA 432 N 0.00 -0.13 -2.96 0.58 0.00 -1.40 -3.47 119.26 111.88 1um2 h ALA 432 Ca 0.00 -0.83 -0.62 0.00 0.00 0.00 0.00 54.91 53.46 1um2 h ALA 432 Cb 0.86 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1um2 h ALA 432 CO 0.00 0.67 -0.70 0.45 0.00 0.00 0.00 179.25 179.68 1um2 s SER 433 N -7.53 4.48 0.00 0.00 0.15 -1.26 -5.02 113.70 104.52 1um2 s SER 433 Ca -0.09 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.32 1um2 s SER 433 Cb 0.04 -0.85 0.66 0.00 -1.71 0.00 0.00 66.02 64.16 1um2 s SER 433 CO 0.94 0.10 1.51 -0.46 1.20 0.00 0.00 173.24 176.53 1um2 n ASN 434 N -0.00 1.66 -4.47 5.45 6.94 -1.26 -4.89 115.26 118.69 1um2 n ASN 434 Ca -0.10 -1.38 -0.24 0.00 -0.02 0.00 0.00 54.58 52.84 1um2 n ASN 434 Cb 0.55 0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.99 1um2 n ASN 434 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1um2 s LYS 435 N -2.24 1.68 -0.42 -3.83 3.01 -1.26 -5.04 119.74 111.65 1um2 s LYS 435 Ca 0.29 -1.78 0.02 0.00 -1.01 0.00 0.00 55.97 53.49 1um2 s LYS 435 Cb 0.20 -1.72 0.51 0.00 -1.01 0.00 0.00 37.83 35.81 1um2 s LYS 435 CO 0.43 0.29 1.83 0.00 0.51 0.00 0.00 175.35 178.41 1um2 n ALA 436 N -0.63 5.29 -3.83 5.17 0.00 -1.26 -4.92 120.51 120.32 1um2 n ALA 436 Ca -0.05 -2.52 -0.06 0.00 0.00 0.00 0.00 53.44 50.81 1um2 n ALA 436 Cb 0.61 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1um2 n ALA 436 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1um2 s TYR 437 N -2.84 -0.07 -0.17 0.00 -0.85 -1.26 -2.61 117.35 109.54 1um2 s TYR 437 Ca 0.49 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.61 1um2 s TYR 437 Cb 0.40 0.73 -0.01 0.00 0.38 0.00 0.00 41.96 43.46 1um2 s TYR 437 CO 0.07 -1.21 -0.10 -0.06 -1.52 0.00 0.00 175.55 172.74 1um2 s PHE 438 N -3.17 2.88 -0.24 -3.49 0.08 0.18 -4.80 117.98 109.42 1um2 s PHE 438 Ca 0.14 -0.86 -0.10 0.00 0.12 0.00 0.00 56.93 56.23 1um2 s PHE 438 Cb -0.04 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 1um2 s PHE 438 CO 0.07 -0.41 0.16 -2.00 -0.10 0.00 0.00 175.22 172.94 1um2 s GLU 439 N 0.93 4.05 0.30 0.44 2.12 -1.26 -1.89 118.70 123.38 1um2 s GLU 439 Ca -0.02 -0.28 -0.19 0.00 0.36 0.00 0.00 54.97 54.84 1um2 s GLU 439 Cb -0.15 -3.53 0.05 0.00 0.26 0.00 0.00 34.13 30.76 1um2 s GLU 439 CO -0.00 0.05 0.81 1.67 -0.54 0.00 0.00 175.26 177.24 1um2 s TRP 440 N 1.09 -0.03 -0.01 5.30 1.48 -0.94 -5.04 118.94 120.80 1um2 s TRP 440 Ca 0.07 -0.50 0.03 0.00 -1.06 0.00 0.00 56.10 54.64 1um2 s TRP 440 Cb -0.14 0.76 -0.01 0.00 -1.16 0.00 0.00 33.47 32.92 1um2 s TRP 440 CO 0.05 -1.31 -0.10 0.95 -4.06 0.00 0.00 176.95 172.48 1um2 s THR 441 N -3.00 0.77 -0.01 0.66 -4.23 -1.26 -1.69 115.64 106.89 1um2 s THR 441 Ca 0.14 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1um2 s THR 441 Cb -0.05 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1um2 s THR 441 CO 0.08 0.21 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.83 1um2 s ILE 442 N -0.25 0.25 0.33 2.99 2.07 -1.03 -4.93 121.20 120.63 1um2 s ILE 442 Ca 0.04 -0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 58.90 1um2 s ILE 442 Cb -0.04 -0.24 -0.10 0.00 0.13 0.00 0.00 42.46 42.22 1um2 s ILE 442 CO -0.00 0.09 1.21 -1.61 -1.91 0.00 0.00 174.94 172.72 1um2 s GLU 443 N 0.14 4.37 0.31 3.50 2.02 -1.25 -0.32 118.70 127.47 1um2 s GLU 443 Ca -0.01 2.00 0.18 0.00 0.02 0.00 0.00 54.97 57.16 1um2 s GLU 443 Cb -0.04 -3.01 1.11 0.00 0.10 0.00 0.00 34.13 32.29 1um2 s GLU 443 CO -0.00 -0.10 1.28 0.00 0.02 0.00 0.00 175.26 176.46 1um2 n ALA 444 N 0.74 0.87 0.09 5.21 0.00 0.13 0.15 120.51 127.70 1um2 n ALA 444 Ca 0.01 0.82 -0.04 0.00 0.00 0.00 0.00 53.44 54.22 1um2 n ALA 444 Cb 0.44 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1um2 n ALA 444 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1um2 h ARG 445 N 0.00 0.00 0.00 0.00 0.11 -1.81 -3.23 114.38 109.45 1um2 h ARG 445 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 1um2 h ARG 445 Cb 1.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.96 1um2 h ARG 445 CO -0.60 0.84 0.00 -0.25 0.10 0.00 0.00 179.97 180.06 1um2 n ASP 446 N -3.41 0.00 -0.16 0.08 8.00 0.12 -3.46 116.55 117.72 1um2 n ASP 446 Ca 0.00 -0.88 -0.11 0.00 0.71 0.00 0.00 54.79 54.51 1um2 n ASP 446 Cb 0.84 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1um2 n ASP 446 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1um2 h LEU 447 N 0.00 0.95 -2.85 0.64 5.85 -1.58 -2.71 115.31 115.62 1um2 h LEU 447 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1um2 h LEU 447 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1um2 h LEU 447 CO 0.00 1.11 0.02 0.77 -0.34 0.00 0.00 178.44 179.99 1um2 h SER 448 N 0.79 0.00 1.36 1.25 4.64 -1.83 -0.01 113.55 119.74 1um2 h SER 448 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1um2 h SER 448 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1um2 h SER 448 CO 0.05 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.94 1um2 h LEU 449 N 0.00 0.00 -9.85 5.97 3.38 -1.71 -3.45 115.31 109.65 1um2 h LEU 449 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1um2 h LEU 449 Cb 0.04 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.84 1um2 h LEU 449 CO 0.00 0.00 0.59 -0.76 0.09 0.00 0.00 178.44 178.36 1um2 s LEU 450 N -5.72 4.46 -0.05 1.67 1.43 -0.02 -4.96 118.68 115.49 1um2 s LEU 450 Ca 0.05 2.56 -0.25 0.00 -1.03 0.00 0.00 54.13 55.47 1um2 s LEU 450 Cb 0.08 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1um2 s LEU 450 CO 0.57 -0.43 0.75 -0.83 0.23 0.00 0.00 176.35 176.64 1um2 s GLY 451 N -0.56 2.68 0.00 -3.19 0.00 -1.26 -4.77 107.32 100.22 1um2 s GLY 451 Ca 0.48 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1um2 s GLY 451 CO 0.49 1.25 0.00 -1.14 0.00 0.00 0.00 173.10 173.70 1um2 n SER 452 N 3.72 0.00 -0.37 1.64 3.41 -1.26 -1.15 113.62 119.62 1um2 n SER 452 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1um2 n SER 452 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1um2 n SER 452 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1um2 n HIS 453 N -0.01 -0.39 -0.04 7.33 8.25 -1.26 -0.69 115.22 128.42 1um2 n HIS 453 Ca 0.00 1.10 0.09 0.00 -0.26 0.00 0.00 57.72 58.65 1um2 n HIS 453 Cb 0.00 -0.57 0.48 0.00 1.12 0.00 0.00 29.99 31.02 1um2 n HIS 453 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1um2 h VAL 454 N 0.00 0.97 -0.05 1.59 2.07 -1.52 -1.91 116.25 117.40 1um2 h VAL 454 Ca 0.14 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1um2 h VAL 454 Cb 0.36 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1um2 h VAL 454 CO -0.82 0.08 -0.06 -0.09 0.02 0.00 0.00 177.57 176.70 1um2 h ARG 455 N 0.45 0.13 0.00 1.57 9.65 -0.65 -2.61 114.38 122.93 1um2 h ARG 455 Ca 0.22 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1um2 h ARG 455 Cb 0.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1um2 h ARG 455 CO -0.06 0.60 -0.18 0.87 2.80 0.00 0.00 179.97 184.00 1um2 h LYS 456 N -0.33 0.00 -0.01 0.20 1.57 -1.03 -2.05 116.57 114.93 1um2 h LYS 456 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1um2 h LYS 456 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1um2 h LYS 456 CO 0.01 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1um2 n ALA 457 N -2.29 2.63 -2.80 3.86 0.00 -0.74 -4.84 120.51 116.33 1um2 n ALA 457 Ca -0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 1um2 n ALA 457 Cb 0.31 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1um2 n ALA 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1um2 s THR 458 N -2.00 4.96 0.05 0.00 2.01 -0.77 -4.18 115.64 115.72 1um2 s THR 458 Ca 0.42 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1um2 s THR 458 Cb 0.21 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1um2 s THR 458 CO 0.35 0.56 0.04 -0.72 -0.69 0.00 0.00 174.62 174.16 1um2 s TYR 459 N -0.52 0.36 0.66 4.92 1.13 -0.70 -4.67 117.35 118.53 1um2 s TYR 459 Ca 0.11 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 54.94 1um2 s TYR 459 Cb -0.12 -0.26 0.08 0.00 -1.10 0.00 0.00 41.96 40.57 1um2 s TYR 459 CO 0.02 -0.40 0.92 -0.65 -2.51 0.00 0.00 175.55 172.93 1um2 s GLN 460 N -3.45 2.07 0.00 -3.49 -0.21 -1.05 -0.33 119.66 113.21 1um2 s GLN 460 Ca 0.02 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1um2 s GLN 460 Cb 0.04 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.69 1um2 s GLN 460 CO -0.08 -1.15 -0.01 0.95 -2.12 0.00 0.00 175.29 172.87 1um2 s THR 461 N -3.03 0.06 0.13 -0.19 -4.23 -1.26 -0.82 115.64 106.30 1um2 s THR 461 Ca 0.62 -0.19 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 1um2 s THR 461 Cb -0.08 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 1um2 s THR 461 CO 0.42 -0.08 0.03 -0.72 -0.54 0.00 0.00 174.62 173.73 1um2 s TYR 462 N -0.28 2.97 0.14 3.99 -0.85 -0.65 -1.35 117.35 121.33 1um2 s TYR 462 Ca -0.03 -0.06 0.07 0.00 -0.52 0.00 0.00 57.07 56.53 1um2 s TYR 462 Cb -0.02 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.80 1um2 s TYR 462 CO -0.00 0.50 -0.02 0.00 -1.52 0.00 0.00 175.55 174.50 1um2 s ALA 463 N -1.54 3.16 1.07 9.51 0.00 0.80 -1.35 121.76 133.41 1um2 s ALA 463 Ca 0.27 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1um2 s ALA 463 Cb -0.11 -1.00 0.22 0.00 0.00 0.00 0.00 23.12 22.24 1um2 s ALA 463 CO 0.19 0.56 1.09 -1.25 0.00 0.00 0.00 175.76 176.35 1um2 s PRO 464 N -2.67 -0.14 -0.75 0.00 0.04 -1.26 -4.81 135.00 125.40 1um2 s PRO 464 Ca 0.26 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.65 1um2 s PRO 464 Cb -0.10 -1.68 0.19 0.00 0.04 0.00 0.00 34.50 32.95 1um2 s PRO 464 CO 0.17 -3.09 0.61 0.42 0.04 0.00 0.00 177.00 175.16 1um2 s ILE 465 N -2.93 4.19 -0.30 0.56 1.01 0.67 -4.85 121.20 119.55 1um2 s ILE 465 Ca 0.67 -3.26 0.23 0.00 0.00 0.00 0.00 60.65 58.29 1um2 s ILE 465 Cb -0.17 -3.66 0.23 0.00 0.01 0.00 0.00 42.46 38.87 1um2 s ILE 465 CO 0.58 -0.98 1.69 0.18 0.00 0.00 0.00 174.94 176.41 1um2 n LEU 466 N 3.09 0.62 -4.72 2.97 4.77 -1.26 -4.72 117.00 117.75 1um2 n LEU 466 Ca 0.14 0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 1um2 n LEU 466 Cb 0.38 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1um2 n LEU 466 CO 0.35 -0.80 0.89 -0.47 -1.33 0.00 0.00 177.39 176.02 1um2 s TYR 467 N -3.46 3.44 -0.18 -1.77 5.04 -1.26 -4.91 117.35 114.25 1um2 s TYR 467 Ca 0.00 1.31 -0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1um2 s TYR 467 Cb 0.07 -3.42 0.01 0.00 0.35 0.00 0.00 41.96 38.97 1um2 s TYR 467 CO 0.28 -1.27 -0.16 -1.21 -1.34 0.00 0.00 175.55 171.85 1um2 s GLU 468 N 0.88 3.13 0.00 4.97 2.02 -1.26 -4.55 118.70 123.89 1um2 s GLU 468 Ca 0.58 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1um2 s GLU 468 Cb -0.30 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1um2 s GLU 468 CO 0.30 -0.15 0.00 0.09 0.02 0.00 0.00 175.26 175.52 1um2 n ASN 469 N 4.52 0.00 0.00 -0.19 3.02 -0.45 -4.84 115.26 117.32 1um2 n ASN 469 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1um2 n ASN 469 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1um2 n ASN 469 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1um2 n ASP 470 N 0.00 0.00 0.14 6.41 8.00 -1.26 -4.29 116.55 125.54 1um2 n ASP 470 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1um2 n ASP 470 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 1um2 n ASP 470 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1um2 n HIS 471 N 0.00 0.23 -0.03 1.24 -0.00 -1.26 0.64 115.22 116.05 1um2 n HIS 471 Ca 0.00 0.12 -0.22 0.00 -0.00 0.00 0.00 57.72 57.62 1um2 n HIS 471 Cb 0.00 -0.38 -0.13 0.00 -0.00 0.00 0.00 29.99 29.48 1um2 n HIS 471 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1um2 n PHE 472 N -1.81 1.19 0.28 1.57 7.35 -1.26 -2.65 117.46 122.13 1um2 n PHE 472 Ca -0.00 0.32 0.15 0.00 -0.76 0.00 0.00 57.45 57.15 1um2 n PHE 472 Cb 0.46 -1.15 0.73 0.00 0.35 0.00 0.00 39.48 39.87 1um2 n PHE 472 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1um2 h PHE 473 N -0.24 0.00 0.00 -5.13 3.04 -0.18 -3.20 116.94 111.22 1um2 h PHE 473 Ca -0.41 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1um2 h PHE 473 Cb 1.83 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.34 1um2 h PHE 473 CO 0.08 0.00 -0.46 -0.44 -2.02 0.00 0.00 178.31 175.47 1um2 h ASP 474 N 0.00 0.00 -0.52 0.41 3.32 -1.54 -3.33 116.42 114.76 1um2 h ASP 474 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 1um2 h ASP 474 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1um2 h ASP 474 CO 0.00 0.73 1.07 0.00 -1.72 0.00 0.00 179.24 179.32 1um2 n TYR 475 N -4.62 0.00 0.06 4.55 9.36 -1.08 0.20 117.16 125.62 1um2 n TYR 475 Ca -0.06 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.93 1um2 n TYR 475 Cb 0.24 -0.13 -0.15 0.00 -0.63 0.00 0.00 39.34 38.67 1um2 n TYR 475 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1um2 h MET 476 N 0.00 0.37 -2.46 2.98 2.86 -1.73 -3.39 114.93 113.56 1um2 h MET 476 Ca 0.25 -0.63 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 1um2 h MET 476 Cb 2.38 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 34.26 1um2 h MET 476 CO -0.00 1.30 0.12 1.04 1.06 0.00 0.00 176.91 180.43 1um2 n GLN 477 N -3.69 0.69 0.00 1.72 6.02 0.52 -2.41 117.38 120.23 1um2 n GLN 477 Ca -0.24 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1um2 n GLN 477 Cb 1.03 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.69 1um2 n GLN 477 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1um2 n LYS 478 N 2.57 0.00 0.00 -1.09 5.02 -1.26 -4.91 118.16 118.49 1um2 n LYS 478 Ca 0.13 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1um2 n LYS 478 Cb 0.32 -0.30 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1um2 n LYS 478 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1um2 n SER 479 N 0.00 1.71 -3.09 4.39 2.88 -1.01 -5.13 113.62 113.37 1um2 n SER 479 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1um2 n SER 479 Cb 0.42 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1um2 n SER 479 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1um2 n LYS 480 N -1.41 1.25 -0.38 -1.46 4.76 -1.25 -5.02 118.16 114.64 1um2 n LYS 480 Ca 0.00 -1.36 -0.01 0.00 -2.87 0.00 0.00 58.31 54.07 1um2 n LYS 480 Cb 0.19 0.20 -0.01 0.00 -1.84 0.00 0.00 35.03 33.57 1um2 n LYS 480 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1um2 n PHE 481 N -0.89 0.00 -2.70 2.13 -0.00 -1.26 -4.93 117.46 109.81 1um2 n PHE 481 Ca -0.02 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.45 57.32 1um2 n PHE 481 Cb 0.25 0.24 0.08 0.00 -0.00 0.00 0.00 39.48 40.05 1um2 n PHE 481 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1um2 n HIS 482 N 0.00 -1.58 -4.06 -5.13 1.44 -1.26 -5.13 115.22 99.51 1um2 n HIS 482 Ca -0.03 -1.22 -0.24 0.00 -2.01 0.00 0.00 57.72 54.22 1um2 n HIS 482 Cb 0.33 1.33 -0.17 0.00 0.12 0.00 0.00 29.99 31.61 1um2 n HIS 482 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1um2 s LEU 483 N -0.98 1.17 0.38 2.39 1.98 -1.26 -5.11 118.68 117.25 1um2 s LEU 483 Ca 0.25 -0.22 -0.12 0.00 -2.89 0.00 0.00 54.13 51.15 1um2 s LEU 483 Cb 0.25 -0.67 -0.10 0.00 0.66 0.00 0.00 46.19 46.33 1um2 s LEU 483 CO -0.15 -0.09 -0.15 0.35 -1.89 0.00 0.00 176.35 174.42 1um2 n THR 484 N 4.59 0.00 0.50 3.68 -2.24 -1.26 -4.67 114.28 114.88 1um2 n THR 484 Ca -0.16 -0.33 0.05 0.00 -2.27 0.00 0.00 64.05 61.34 1um2 n THR 484 Cb 0.50 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.99 1um2 n THR 484 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1um2 n ILE 485 N -1.10 0.59 0.75 2.28 0.13 -1.26 0.11 119.36 120.86 1um2 n ILE 485 Ca 0.04 0.15 0.11 0.00 -1.10 0.00 0.00 62.75 61.95 1um2 n ILE 485 Cb 0.32 -0.99 0.28 0.00 -0.84 0.00 0.00 39.64 38.42 1um2 n ILE 485 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1um2 n GLU 486 N -1.22 2.13 0.00 9.51 1.02 -1.26 -4.65 120.64 126.17 1um2 n GLU 486 Ca 0.05 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 1um2 n GLU 486 Cb 0.07 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1um2 n GLU 486 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1um2 n GLY 487 N 1.32 -2.98 0.19 0.62 0.00 0.30 -1.93 105.19 102.70 1um2 n GLY 487 Ca 0.18 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.74 1um2 n GLY 487 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1um2 h PRO 488 N 0.00 0.00 -0.02 1.61 0.11 -1.83 -2.48 132.00 129.39 1um2 h PRO 488 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1um2 h PRO 488 Cb 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1um2 h PRO 488 CO 0.00 0.00 -0.11 -0.22 -0.21 0.00 0.00 178.00 177.47 1um2 h LYS 489 N 0.00 -0.11 -0.97 1.05 3.64 -1.81 0.53 116.57 118.90 1um2 h LYS 489 Ca 0.22 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.80 1um2 h LYS 489 Cb 0.34 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.08 1um2 h LYS 489 CO -0.47 -0.08 0.57 0.28 -2.27 0.00 0.00 179.45 177.48 1um2 h VAL 490 N -0.12 0.68 -0.01 2.00 2.07 -1.33 0.18 116.25 119.72 1um2 h VAL 490 Ca 0.00 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 1um2 h VAL 490 Cb 0.13 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1um2 h VAL 490 CO -0.08 0.13 -0.72 0.25 0.02 0.00 0.00 177.57 177.17 1um2 h LEU 491 N 0.71 0.11 -0.11 2.57 5.85 -1.26 -2.34 115.31 120.84 1um2 h LEU 491 Ca 0.57 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.14 1um2 h LEU 491 Cb 0.90 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1um2 h LEU 491 CO -0.40 0.79 -0.22 0.00 -0.34 0.00 0.00 178.44 178.28 1um2 h ALA 492 N 1.20 0.17 -0.91 1.25 0.00 0.60 0.12 119.26 121.69 1um2 h ALA 492 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1um2 h ALA 492 Cb 1.27 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1um2 h ALA 492 CO 0.10 0.13 0.50 -0.92 0.00 0.00 0.00 179.25 179.06 1um2 h TYR 493 N -0.10 1.24 -0.16 0.00 3.20 -1.05 1.23 116.97 121.33 1um2 h TYR 493 Ca 0.00 -0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.64 1um2 h TYR 493 Cb 0.81 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1um2 h TYR 493 CO 0.11 0.85 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.69 1um2 h LEU 494 N 1.27 0.81 -0.37 2.82 3.38 -1.40 0.91 115.31 122.73 1um2 h LEU 494 Ca 0.32 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1um2 h LEU 494 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1um2 h LEU 494 CO -0.05 1.29 0.16 -0.07 0.09 0.00 0.00 178.44 179.85 1um2 h LEU 495 N 0.49 0.50 0.58 1.67 3.38 -0.23 0.62 115.31 122.32 1um2 h LEU 495 Ca -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1um2 h LEU 495 Cb 1.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1um2 h LEU 495 CO 0.14 0.52 -0.30 1.23 0.09 0.00 0.00 178.44 180.13 1um2 h GLY 496 N 0.45 -0.84 -0.83 0.83 0.00 0.17 -0.49 103.07 102.37 1um2 h GLY 496 Ca 0.12 0.32 0.41 0.00 0.00 0.00 0.00 47.33 48.18 1um2 h GLY 496 CO -0.01 -0.31 0.99 1.41 0.00 0.00 0.00 176.54 178.62 1um2 h LEU 497 N -0.81 0.05 -0.34 3.11 3.38 0.13 0.70 115.31 121.55 1um2 h LEU 497 Ca -0.08 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1um2 h LEU 497 Cb 0.63 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1um2 h LEU 497 CO 0.12 -0.01 -0.55 -0.25 0.09 0.00 0.00 178.44 177.83 1um2 h TRP 498 N 0.04 0.00 -0.07 1.13 7.01 0.19 -3.29 115.95 120.95 1um2 h TRP 498 Ca 0.68 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 61.50 1um2 h TRP 498 Cb 2.63 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 29.68 1um2 h TRP 498 CO -0.00 0.55 -0.73 0.82 -2.79 0.00 0.00 178.44 176.29 1um2 h ILE 499 N 0.00 1.38 0.00 2.65 1.08 0.91 -3.13 117.51 120.40 1um2 h ILE 499 Ca -0.01 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 1um2 h ILE 499 Cb 1.28 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1um2 h ILE 499 CO 0.07 0.65 0.00 0.61 -0.69 0.00 0.00 178.15 178.79 1um2 n GLY 500 N 0.57 -1.12 3.45 5.37 0.00 -1.16 -4.44 105.19 107.86 1um2 n GLY 500 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1um2 n GLY 500 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1um2 s ASP 501 N -1.73 6.99 0.09 1.61 1.47 -1.26 -4.89 116.67 118.94 1um2 s ASP 501 Ca 0.00 -2.82 0.00 0.00 1.18 0.00 0.00 52.55 50.91 1um2 s ASP 501 Cb 0.00 -2.38 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 1um2 s ASP 501 CO 0.00 -0.78 0.03 0.61 0.68 0.00 0.00 175.17 175.71 1um2 n GLY 502 N 4.31 3.61 3.04 2.12 0.00 -1.18 -2.91 105.19 114.18 1um2 n GLY 502 Ca 0.32 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1um2 n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um2 s LEU 503 N 0.00 1.45 -0.68 0.99 1.43 -0.95 -4.57 118.68 116.35 1um2 s LEU 503 Ca 0.02 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1um2 s LEU 503 Cb -0.00 0.53 0.18 0.00 0.03 0.00 0.00 46.19 46.92 1um2 s LEU 503 CO 0.01 -0.09 0.56 -0.94 0.23 0.00 0.00 176.35 176.13 1um2 s SER 504 N -0.10 5.96 0.00 2.29 1.04 -1.26 -4.24 113.70 117.38 1um2 s SER 504 Ca -0.02 -2.62 0.00 0.00 0.48 0.00 0.00 55.95 53.79 1um2 s SER 504 Cb -0.02 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1um2 s SER 504 CO 0.00 -0.52 0.00 -0.90 0.98 0.00 0.00 173.24 172.81 1um2 n ASP 505 N 3.95 0.00 -3.54 7.02 5.68 -1.26 -5.13 116.55 123.26 1um2 n ASP 505 Ca 0.07 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.20 1um2 n ASP 505 Cb 0.42 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.34 1um2 n ASP 505 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1um2 s ARG 506 N 0.00 0.92 0.00 0.11 1.70 -1.26 -5.00 118.95 115.42 1um2 s ARG 506 Ca 0.00 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1um2 s ARG 506 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1um2 s ARG 506 CO 0.00 -0.28 1.01 0.00 -1.08 0.00 0.00 175.30 174.95 1um2 n ALA 507 N 0.99 2.69 -2.80 7.88 0.00 -1.26 -4.62 120.51 123.40 1um2 n ALA 507 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1um2 n ALA 507 Cb 0.57 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1um2 n ALA 507 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1um2 s THR 508 N 0.58 5.43 -0.20 0.00 2.01 -1.26 -3.37 115.64 118.81 1um2 s THR 508 Ca 0.00 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 1um2 s THR 508 Cb 0.00 -3.46 0.10 0.00 0.01 0.00 0.00 72.50 69.15 1um2 s THR 508 CO 0.00 0.56 0.35 0.72 -0.69 0.00 0.00 174.62 175.56 1um2 s PHE 509 N -0.64 -0.67 -0.90 4.92 -0.12 -0.59 -2.23 117.98 117.75 1um2 s PHE 509 Ca 0.15 0.97 -0.17 0.00 -0.05 0.00 0.00 56.93 57.83 1um2 s PHE 509 Cb -0.12 0.04 -0.24 0.00 -0.63 0.00 0.00 43.02 42.06 1um2 s PHE 509 CO 0.04 -0.57 2.28 0.45 -0.05 0.00 0.00 175.22 177.36 1um2 n SER 510 N 5.36 0.10 -4.95 1.98 2.88 -1.14 -3.59 113.62 114.25 1um2 n SER 510 Ca -0.06 -1.01 -0.24 0.00 -1.33 0.00 0.00 58.87 56.24 1um2 n SER 510 Cb 0.50 -1.08 -0.02 0.00 -0.75 0.00 0.00 64.21 62.86 1um2 n SER 510 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1um2 s VAL 511 N 7.17 5.26 0.25 2.46 1.01 -0.85 -4.70 120.40 130.99 1um2 s VAL 511 Ca 1.13 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1um2 s VAL 511 Cb -0.50 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1um2 s VAL 511 CO 0.33 -0.26 1.01 -0.62 0.00 0.00 0.00 175.10 175.56 1um2 s ASP 512 N -3.64 7.49 -0.05 3.32 -1.08 -1.26 0.05 116.67 121.50 1um2 s ASP 512 Ca 0.35 2.07 -0.12 0.00 -0.52 0.00 0.00 52.55 54.33 1um2 s ASP 512 Cb -0.10 -2.62 -0.31 0.00 -1.46 0.00 0.00 42.92 38.44 1um2 s ASP 512 CO 0.30 0.02 0.69 0.77 0.52 0.00 0.00 175.17 177.47 1um2 h SER 513 N 4.13 0.61 -0.64 -0.34 4.64 -1.47 -3.37 113.55 117.12 1um2 h SER 513 Ca -0.46 -0.93 0.18 0.00 -0.47 0.00 0.00 61.79 60.12 1um2 h SER 513 Cb 1.21 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1um2 h SER 513 CO 0.68 1.76 0.60 -0.09 -0.87 0.00 0.00 176.83 178.91 1um2 h ARG 514 N 0.05 0.00 -5.08 4.77 2.43 -1.94 -3.37 114.38 111.24 1um2 h ARG 514 Ca -0.33 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.15 1um2 h ARG 514 Cb 2.06 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 31.44 1um2 h ARG 514 CO 0.17 0.00 1.05 0.34 -1.51 0.00 0.00 179.97 180.03 1um2 s ASP 515 N -5.13 6.73 0.00 -3.80 -1.08 -1.26 -4.91 116.67 107.22 1um2 s ASP 515 Ca -0.04 -2.23 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 1um2 s ASP 515 Cb 0.17 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1um2 s ASP 515 CO 0.60 -1.03 1.68 0.35 0.52 0.00 0.00 175.17 177.29 1um2 n THR 516 N 5.44 1.68 0.00 1.71 -2.24 -1.26 -1.68 114.28 117.93 1um2 n THR 516 Ca 0.28 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1um2 n THR 516 Cb 0.48 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1um2 n THR 516 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1um2 n SER 517 N 1.29 0.02 0.04 3.42 3.41 -1.26 -4.58 113.62 115.97 1um2 n SER 517 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1um2 n SER 517 Cb 0.47 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 1um2 n SER 517 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1um2 h LEU 518 N 0.00 -0.07 -0.52 1.04 5.85 -1.55 0.40 115.31 120.46 1um2 h LEU 518 Ca 0.00 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1um2 h LEU 518 Cb 0.01 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 1um2 h LEU 518 CO 0.00 0.20 -0.30 0.24 -0.34 0.00 0.00 178.44 178.24 1um2 h MET 519 N -0.35 -0.17 0.18 1.25 2.86 -1.61 0.62 114.93 117.72 1um2 h MET 519 Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1um2 h MET 519 Cb 0.31 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1um2 h MET 519 CO 0.01 -0.11 -0.09 0.93 1.06 0.00 0.00 176.91 178.72 1um2 h GLU 520 N -0.17 -0.23 -0.43 1.72 5.08 -1.78 -1.02 114.58 117.75 1um2 h GLU 520 Ca 0.22 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1um2 h GLU 520 Cb 0.53 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1um2 h GLU 520 CO -0.61 -0.06 -0.26 -0.09 -1.00 0.00 0.00 179.01 176.99 1um2 h ARG 521 N -0.35 -0.17 -0.18 2.33 9.65 0.21 0.58 114.38 126.44 1um2 h ARG 521 Ca -0.02 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1um2 h ARG 521 Cb 0.28 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1um2 h ARG 521 CO 0.04 -0.11 -0.10 0.28 2.80 0.00 0.00 179.97 182.88 1um2 h VAL 522 N -0.18 0.70 0.15 0.20 2.07 0.30 -0.02 116.25 119.47 1um2 h VAL 522 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1um2 h VAL 522 Cb 0.49 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1um2 h VAL 522 CO -0.53 0.00 -0.07 0.74 0.02 0.00 0.00 177.57 177.73 1um2 h THR 523 N -0.08 0.00 -1.08 2.57 2.02 -0.46 0.24 112.91 116.12 1um2 h THR 523 Ca 0.10 -0.03 0.31 0.00 0.77 0.00 0.00 66.41 67.56 1um2 h THR 523 Cb 0.24 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1um2 h THR 523 CO -0.24 0.00 1.02 -0.08 0.37 0.00 0.00 175.52 176.60 1um2 h GLU 524 N -0.24 0.00 0.04 6.66 4.81 0.15 1.09 114.58 127.10 1um2 h GLU 524 Ca -0.02 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.89 1um2 h GLU 524 Cb 0.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1um2 h GLU 524 CO 0.03 0.00 -1.83 0.66 -0.73 0.00 0.00 179.01 177.15 1um2 n TYR 525 N -3.61 1.06 -0.23 0.92 4.02 -0.02 -3.11 117.16 116.19 1um2 n TYR 525 Ca 0.24 0.32 0.01 0.00 -0.01 0.00 0.00 57.90 58.46 1um2 n TYR 525 Cb 1.36 -1.17 0.25 0.00 -0.02 0.00 0.00 39.34 39.76 1um2 n TYR 525 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1um2 h ALA 526 N 0.68 1.49 0.01 -0.72 0.00 0.47 -1.70 119.26 119.49 1um2 h ALA 526 Ca -0.34 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1um2 h ALA 526 Cb 2.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1um2 h ALA 526 CO 0.08 0.46 -0.91 1.49 0.00 0.00 0.00 179.25 180.36 1um2 h GLU 527 N 1.01 0.11 -0.94 0.00 4.81 -0.58 -1.16 114.58 117.83 1um2 h GLU 527 Ca 0.30 -0.14 0.25 0.00 -0.13 0.00 0.00 59.36 59.65 1um2 h GLU 527 Cb -0.04 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1um2 h GLU 527 CO -0.08 0.94 0.66 0.87 -0.73 0.00 0.00 179.01 180.67 1um2 h LYS 528 N 0.05 0.15 0.00 1.92 1.79 -1.24 -0.54 116.57 118.70 1um2 h LYS 528 Ca -0.04 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1um2 h LYS 528 Cb 1.57 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 1um2 h LYS 528 CO 0.13 0.10 -0.55 -0.07 -1.08 0.00 0.00 179.45 177.98 1um2 h LEU 529 N 0.15 0.00 0.00 2.94 3.38 -1.59 -3.42 115.31 116.77 1um2 h LEU 529 Ca 0.47 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1um2 h LEU 529 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1um2 h LEU 529 CO -0.09 1.08 0.00 -3.20 0.09 0.00 0.00 178.44 176.32 1um2 n ASN 530 N -4.57 0.00 -3.64 -0.43 5.15 -0.21 -4.97 115.26 106.59 1um2 n ASN 530 Ca -0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.76 1um2 n ASN 530 Cb 0.46 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.64 1um2 n ASN 530 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1um2 s LEU 531 N 0.00 -0.39 0.08 1.20 1.02 -0.45 -4.66 118.68 115.48 1um2 s LEU 531 Ca 0.00 0.71 -0.10 0.00 0.02 0.00 0.00 54.13 54.76 1um2 s LEU 531 Cb 0.00 1.69 -0.06 0.00 0.02 0.00 0.00 46.19 47.85 1um2 s LEU 531 CO 0.00 -0.12 0.41 0.00 0.02 0.00 0.00 176.35 176.66 1um2 n ALA 533 N 0.88 5.02 -0.96 0.00 0.00 -1.26 -3.12 120.51 121.06 1um2 n ALA 533 Ca -0.08 -4.80 -0.31 0.00 0.00 0.00 0.00 53.44 48.26 1um2 n ALA 533 Cb 0.52 -2.21 0.14 0.00 0.00 0.00 0.00 19.45 17.90 1um2 n ALA 533 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1um2 s GLU 534 N -2.69 1.45 0.00 0.00 -6.30 -1.10 -4.83 118.70 105.22 1um2 s GLU 534 Ca 0.32 1.30 0.00 0.00 -2.50 0.00 0.00 54.97 54.08 1um2 s GLU 534 Cb 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 34.13 32.38 1um2 s GLU 534 CO 0.09 -2.25 0.00 2.48 0.02 0.00 0.00 175.26 175.60 1um2 n TYR 535 N -3.95 0.00 0.00 5.30 0.18 -1.26 -2.16 117.16 115.27 1um2 n TYR 535 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1um2 n TYR 535 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1um2 n TYR 535 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1um2 n LYS 536 N 0.00 0.00 0.00 -3.48 4.01 -1.24 -4.97 118.16 112.47 1um2 n LYS 536 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1um2 n LYS 536 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1um2 n LYS 536 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1um2 n ASP 537 N 0.00 -0.07 -3.55 4.39 2.03 -1.26 -4.86 116.55 113.23 1um2 n ASP 537 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1um2 n ASP 537 Cb 0.00 0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 40.74 1um2 n ASP 537 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1um2 n ARG 538 N 0.66 -0.84 0.00 -0.67 3.00 -1.26 -4.67 116.66 112.88 1um2 n ARG 538 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1um2 n ARG 538 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 32.46 29.49 1um2 n ARG 538 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1um2 n LYS 539 N -2.95 0.00 0.00 5.56 2.85 -1.26 -5.12 118.16 117.24 1um2 n LYS 539 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1um2 n LYS 539 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1um2 n LYS 539 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1um2 n GLU 540 N 0.00 0.00 -1.74 -1.58 2.13 -1.26 -4.82 120.64 113.37 1um2 n GLU 540 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1um2 n GLU 540 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1um2 n GLU 540 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1um2 s PRO 541 N -0.02 3.71 0.00 5.31 0.02 -1.26 -4.85 135.00 137.91 1um2 s PRO 541 Ca 0.00 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1um2 s PRO 541 Cb 0.00 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1um2 s PRO 541 CO 0.00 -1.43 0.00 0.94 -0.33 0.00 0.00 177.00 176.18 1um2 n GLN 542 N 7.99 -2.07 -0.08 5.54 0.00 -1.26 -5.06 117.38 122.45 1um2 n GLN 542 Ca 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 57.14 1um2 n GLN 542 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.52 1um2 n GLN 542 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1um2 n VAL 543 N -0.83 1.43 -2.62 1.69 3.14 -1.26 -4.72 118.33 115.16 1um2 n VAL 543 Ca 0.00 -0.84 -0.43 0.00 -2.96 0.00 0.00 64.34 60.10 1um2 n VAL 543 Cb 0.00 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 1um2 n VAL 543 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1um2 n ALA 544 N -2.70 4.28 -2.19 1.55 0.00 -1.26 -1.18 120.51 119.01 1um2 n ALA 544 Ca -0.29 -4.14 -0.43 0.00 0.00 0.00 0.00 53.44 48.58 1um2 n ALA 544 Cb 1.13 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 1um2 n ALA 544 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1um2 s LYS 545 N 2.05 3.59 0.37 0.00 1.02 0.11 -4.72 119.74 122.16 1um2 s LYS 545 Ca 0.45 1.31 -0.28 0.00 0.02 0.00 0.00 55.97 57.47 1um2 s LYS 545 Cb 0.03 -4.07 -0.11 0.00 -0.52 0.00 0.00 37.83 33.16 1um2 s LYS 545 CO 0.01 -1.54 1.44 2.41 -0.92 0.00 0.00 175.35 176.75 1um2 n THR 546 N 6.93 2.04 -4.54 2.17 -1.04 -1.26 -2.00 114.28 116.58 1um2 n THR 546 Ca 0.19 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 1um2 n THR 546 Cb 0.47 -1.88 -0.15 0.00 -1.82 0.00 0.00 70.33 66.94 1um2 n THR 546 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1um2 s VAL 547 N -1.12 0.98 -0.05 12.58 1.01 -1.24 -3.69 120.40 128.88 1um2 s VAL 547 Ca 0.54 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1um2 s VAL 547 Cb -0.49 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1um2 s VAL 547 CO 0.63 0.29 -0.22 0.20 0.00 0.00 0.00 175.10 176.00 1um2 s ASN 548 N -0.01 3.33 -0.27 3.32 0.01 -0.92 -1.54 114.94 118.87 1um2 s ASN 548 Ca -0.00 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.74 1um2 s ASN 548 Cb -0.08 -0.71 0.05 0.00 0.41 0.00 0.00 41.25 40.92 1um2 s ASN 548 CO 0.00 0.29 -0.07 -0.76 -1.51 0.00 0.00 177.10 175.05 1um2 s LEU 549 N -0.42 3.48 0.50 0.60 1.02 -1.22 -2.73 118.68 119.92 1um2 s LEU 549 Ca 0.04 -1.24 0.08 0.00 0.02 0.00 0.00 54.13 53.03 1um2 s LEU 549 Cb -0.12 -1.61 0.04 0.00 0.02 0.00 0.00 46.19 44.51 1um2 s LEU 549 CO 0.01 -0.19 0.57 -0.31 0.02 0.00 0.00 176.35 176.45 1um2 s TYR 550 N 1.19 2.05 -2.11 0.29 2.02 -1.18 -4.75 117.35 114.85 1um2 s TYR 550 Ca -0.06 -0.63 0.17 0.00 -0.37 0.00 0.00 57.07 56.18 1um2 s TYR 550 Cb -0.19 -2.18 0.49 0.00 -0.40 0.00 0.00 41.96 39.68 1um2 s TYR 550 CO -0.04 -0.63 1.39 0.45 -1.57 0.00 0.00 175.55 175.16 1um2 n SER 551 N -1.90 2.40 0.00 2.29 2.88 -1.26 -3.50 113.62 114.53 1um2 n SER 551 Ca 0.08 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1um2 n SER 551 Cb 0.62 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1um2 n SER 551 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1um2 n LYS 552 N 0.81 0.00 0.00 -1.46 3.00 -1.26 -4.75 118.16 114.49 1um2 n LYS 552 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1um2 n LYS 552 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1um2 n LYS 552 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1um2 n GLU 566 N 0.00 0.00 -1.48 1.64 0.28 -1.26 -4.68 120.64 115.14 1um2 n GLU 566 Ca 0.00 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.49 1um2 n GLU 566 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1um2 n GLU 566 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1um2 n ASN 567 N 0.00 2.24 0.15 -1.84 6.94 -1.26 -4.67 115.26 116.82 1um2 n ASN 567 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 54.58 55.04 1um2 n ASN 567 Cb 0.00 -1.27 0.00 0.00 -2.36 0.00 0.00 39.78 36.15 1um2 n ASN 567 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1um2 n PRO 568 N 7.95 0.01 -0.02 -0.53 -0.04 -1.26 0.37 135.00 141.48 1um2 n PRO 568 Ca 0.39 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1um2 n PRO 568 Cb 0.23 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 1um2 n PRO 568 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1um2 h LEU 569 N 0.00 -0.06 -1.14 1.53 5.85 -1.96 -2.08 115.31 117.46 1um2 h LEU 569 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1um2 h LEU 569 Cb 1.13 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1um2 h LEU 569 CO 0.00 0.66 0.00 -0.25 -0.34 0.00 0.00 178.44 178.51 1um2 h TRP 570 N -0.92 0.00 -0.11 1.25 2.91 -0.43 0.04 115.95 118.69 1um2 h TRP 570 Ca -0.01 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.83 1um2 h TRP 570 Cb 0.62 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1um2 h TRP 570 CO 0.15 0.00 -0.68 -0.44 -1.03 0.00 0.00 178.44 176.44 1um2 h ASP 571 N 0.00 0.56 -0.00 2.65 3.32 -1.44 -3.05 116.42 118.46 1um2 h ASP 571 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1um2 h ASP 571 Cb 0.41 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1um2 h ASP 571 CO 0.00 1.09 -0.07 0.00 -1.72 0.00 0.00 179.24 178.54 1um2 h ALA 572 N 0.91 0.01 -0.30 3.45 0.00 -0.44 -0.25 119.26 122.64 1um2 h ALA 572 Ca -0.02 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1um2 h ALA 572 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1um2 h ALA 572 CO 0.12 -0.07 0.62 0.82 0.00 0.00 0.00 179.25 180.75 1um2 h ILE 573 N -0.66 0.12 0.00 0.00 2.04 -1.08 -2.54 117.51 115.38 1um2 h ILE 573 Ca -0.01 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.56 1um2 h ILE 573 Cb 0.81 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1um2 h ILE 573 CO 0.01 0.00 -2.02 0.52 0.00 0.00 0.00 178.15 176.67 1um2 n VAL 574 N -3.14 1.00 0.05 1.67 0.31 -1.15 0.64 118.33 117.71 1um2 n VAL 574 Ca 0.05 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 1um2 n VAL 574 Cb 0.74 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 1um2 n VAL 574 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1um2 h GLY 575 N -0.08 -1.17 1.51 2.92 0.00 -0.87 -0.34 103.07 105.03 1um2 h GLY 575 Ca -0.44 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1um2 h GLY 575 CO -0.22 -0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.09 1um2 n LEU 576 N -5.09 0.00 -2.99 3.11 4.77 -0.97 -4.96 117.00 110.87 1um2 n LEU 576 Ca -0.07 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1um2 n LEU 576 Cb 0.35 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1um2 n LEU 576 CO 0.11 -0.04 0.03 0.61 -1.33 0.00 0.00 177.39 176.76 1um2 n GLY 577 N 0.83 -0.84 1.50 -0.72 0.00 -0.14 -4.79 105.19 101.03 1um2 n GLY 577 Ca 0.13 0.44 0.01 0.00 0.00 0.00 0.00 46.02 46.60 1um2 n GLY 577 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1um2 n PHE 578 N -2.99 1.50 -2.81 1.61 3.01 0.21 -4.02 117.46 113.97 1um2 n PHE 578 Ca -0.07 -0.64 -0.11 0.00 1.01 0.00 0.00 57.45 57.65 1um2 n PHE 578 Cb 0.60 -0.43 0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1um2 n PHE 578 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1um2 n LEU 579 N 0.25 -1.79 -4.60 4.37 7.94 -1.16 -2.60 117.00 119.40 1um2 n LEU 579 Ca 0.22 -3.93 -0.43 0.00 -1.11 0.00 0.00 56.01 50.76 1um2 n LEU 579 Cb 0.95 0.89 -0.03 0.00 0.53 0.00 0.00 43.42 45.77 1um2 n LEU 579 CO 0.25 2.11 1.47 -0.75 -1.11 0.00 0.00 177.39 179.36 1um2 s LYS 580 N -0.21 3.42 -0.07 1.96 2.20 -1.23 -4.39 119.74 121.43 1um2 s LYS 580 Ca 0.25 1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 57.18 1um2 s LYS 580 Cb 0.30 -4.15 0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1um2 s LYS 580 CO -0.06 -1.75 0.09 -0.25 -0.36 0.00 0.00 175.35 173.03 1um2 n ASP 581 N 9.84 -6.48 0.00 1.43 8.00 -1.26 -3.99 116.55 124.09 1um2 n ASP 581 Ca 0.21 0.37 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1um2 n ASP 581 Cb 0.47 -1.74 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 1um2 n ASP 581 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1um2 n GLY 582 N 1.07 1.88 3.91 0.44 0.00 -1.26 -4.92 105.19 106.31 1um2 n GLY 582 Ca -0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1um2 n GLY 582 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1um2 s VAL 583 N 0.00 5.15 1.17 1.61 -7.23 -1.26 -5.04 120.40 114.81 1um2 s VAL 583 Ca 0.00 -0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.89 1um2 s VAL 583 Cb 0.00 -3.69 0.22 0.00 0.56 0.00 0.00 36.38 33.46 1um2 s VAL 583 CO 0.00 -0.13 0.52 0.29 -0.31 0.00 0.00 175.10 175.47 1um2 n LYS 584 N -0.45 -2.27 -3.59 4.82 5.02 -1.26 -3.50 118.16 116.92 1um2 n LYS 584 Ca -0.03 -0.64 -0.11 0.00 -2.02 0.00 0.00 58.31 55.51 1um2 n LYS 584 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1um2 n LYS 584 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1um2 s ASN 585 N -2.14 -0.41 -0.26 4.39 2.47 -1.07 -4.59 114.94 113.33 1um2 s ASN 585 Ca 0.62 0.58 -0.13 0.00 0.42 0.00 0.00 52.86 54.36 1um2 s ASN 585 Cb -0.19 0.51 -0.04 0.00 -1.45 0.00 0.00 41.25 40.08 1um2 s ASN 585 CO 0.65 -0.29 0.27 -0.63 -3.72 0.00 0.00 177.10 173.38 1um2 s ILE 586 N -0.66 5.26 0.33 -5.21 -1.09 -1.03 -4.20 121.20 114.60 1um2 s ILE 586 Ca -0.01 0.36 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 1um2 s ILE 586 Cb -0.02 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.17 1um2 s ILE 586 CO -0.01 0.24 1.19 -2.84 -1.23 0.00 0.00 174.94 172.29 1um2 s PRO 587 N 1.66 4.37 0.21 2.79 0.02 -1.26 -4.73 135.00 138.06 1um2 s PRO 587 Ca 0.11 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.33 1um2 s PRO 587 Cb -0.15 -2.99 0.59 0.00 0.02 0.00 0.00 34.50 31.97 1um2 s PRO 587 CO 0.09 -0.08 1.60 0.66 -0.33 0.00 0.00 177.00 178.94 1um2 h SER 588 N 3.31 0.00 0.46 2.53 4.64 -1.94 -3.26 113.55 119.29 1um2 h SER 588 Ca -0.48 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 1um2 h SER 588 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1um2 h SER 588 CO 0.65 0.03 -0.02 2.19 -0.87 0.00 0.00 176.83 178.81 1um2 h PHE 589 N 0.00 0.00 0.00 4.77 -5.15 -1.96 -2.56 116.94 112.04 1um2 h PHE 589 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 1um2 h PHE 589 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.94 1um2 h PHE 589 CO 0.00 0.02 -0.41 1.25 -2.00 0.00 0.00 178.31 177.17 1um2 h LEU 590 N 0.00 0.00 -0.94 2.10 5.85 -1.97 -3.00 115.31 117.34 1um2 h LEU 590 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1um2 h LEU 590 Cb 0.26 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1um2 h LEU 590 CO 0.00 0.41 0.59 0.28 -0.34 0.00 0.00 178.44 179.38 1um2 h SER 591 N 0.00 0.90 -0.56 1.25 0.02 -1.68 -2.10 113.55 111.38 1um2 h SER 591 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1um2 h SER 591 Cb 0.77 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1um2 h SER 591 CO 0.05 0.54 0.00 0.35 -1.14 0.00 0.00 176.83 176.64 1um2 n THR 592 N -4.60 1.04 -1.85 -2.27 -2.24 -1.20 -4.76 114.28 98.40 1um2 n THR 592 Ca 0.15 -1.01 -0.30 0.00 -2.27 0.00 0.00 64.05 60.62 1um2 n THR 592 Cb 0.24 0.48 0.20 0.00 -2.10 0.00 0.00 70.33 69.15 1um2 n THR 592 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1um2 s ASP 593 N -1.01 2.78 -0.01 3.42 3.68 -0.79 -1.34 116.67 123.41 1um2 s ASP 593 Ca 0.38 0.26 -0.31 0.00 2.13 0.00 0.00 52.55 55.01 1um2 s ASP 593 Cb 0.20 -0.29 -0.09 0.00 -1.45 0.00 0.00 42.92 41.29 1um2 s ASP 593 CO 0.25 -2.94 1.98 -3.20 0.13 0.00 0.00 175.17 171.38 1um2 n ASN 594 N -3.91 3.97 0.00 -0.34 2.85 -1.26 -4.30 115.26 112.27 1um2 n ASN 594 Ca 0.16 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.50 1um2 n ASN 594 Cb 0.59 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.12 1um2 n ASN 594 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1um2 n ILE 595 N 5.61 0.00 -0.38 -1.44 5.41 -1.26 -0.69 119.36 126.62 1um2 n ILE 595 Ca 0.21 0.89 0.34 0.00 1.00 0.00 0.00 62.75 65.19 1um2 n ILE 595 Cb 0.39 -1.24 0.59 0.00 -0.71 0.00 0.00 39.64 38.67 1um2 n ILE 595 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1um2 n GLY 596 N -0.93 -0.74 0.24 7.39 0.00 -1.26 0.45 105.19 110.33 1um2 n GLY 596 Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 46.02 46.67 1um2 n GLY 596 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1um2 h THR 597 N 0.00 1.29 0.65 2.61 2.02 -1.27 1.31 112.91 119.51 1um2 h THR 597 Ca 0.80 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1um2 h THR 597 Cb 2.39 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 70.24 1um2 h THR 597 CO -0.55 0.48 -0.31 0.03 0.37 0.00 0.00 175.52 175.53 1um2 h ARG 598 N 0.54 -0.84 -0.20 6.66 3.08 1.01 0.12 114.38 124.75 1um2 h ARG 598 Ca 0.06 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1um2 h ARG 598 Cb 0.85 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1um2 h ARG 598 CO 0.07 -0.55 0.12 0.93 -1.07 0.00 0.00 179.97 179.47 1um2 h GLU 599 N -0.91 0.26 -0.67 0.04 5.08 -0.46 -1.58 114.58 116.35 1um2 h GLU 599 Ca -0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1um2 h GLU 599 Cb 0.68 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1um2 h GLU 599 CO 0.15 0.20 0.44 1.15 -1.00 0.00 0.00 179.01 179.95 1um2 h THR 600 N 0.25 1.15 -0.63 1.13 2.02 0.18 0.48 112.91 117.48 1um2 h THR 600 Ca 0.07 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1um2 h THR 600 Cb 0.00 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1um2 h THR 600 CO -0.01 0.16 0.26 0.15 0.37 0.00 0.00 175.52 176.45 1um2 h PHE 601 N 0.89 0.95 -0.23 3.16 3.57 -0.67 -2.09 116.94 122.52 1um2 h PHE 601 Ca 0.25 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1um2 h PHE 601 Cb -0.07 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.35 1um2 h PHE 601 CO -0.03 0.75 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.72 1um2 h LEU 602 N 0.88 -0.10 -0.57 0.59 3.38 -0.24 -2.29 115.31 116.97 1um2 h LEU 602 Ca 0.21 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.35 1um2 h LEU 602 Cb 0.20 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 1um2 h LEU 602 CO -0.02 -0.02 -0.15 0.00 0.09 0.00 0.00 178.44 178.34 1um2 h ALA 603 N 1.20 0.35 0.32 1.53 0.00 0.57 -1.68 119.26 121.56 1um2 h ALA 603 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1um2 h ALA 603 Cb 0.14 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1um2 h ALA 603 CO -0.19 -0.45 -0.40 0.78 0.00 0.00 0.00 179.25 179.00 1um2 h GLY 604 N -0.01 -0.91 -0.02 0.00 0.00 -0.88 0.60 103.07 101.85 1um2 h GLY 604 Ca 0.27 0.47 0.23 0.00 0.00 0.00 0.00 47.33 48.30 1um2 h GLY 604 CO -0.59 -0.31 0.63 -2.00 0.00 0.00 0.00 176.54 174.27 1um2 h LEU 605 N -0.77 0.58 0.33 3.11 5.85 -0.89 0.30 115.31 123.81 1um2 h LEU 605 Ca -0.02 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1um2 h LEU 605 Cb 0.71 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1um2 h LEU 605 CO -0.11 0.15 -0.16 0.40 -0.34 0.00 0.00 178.44 178.38 1um2 h ILE 606 N 0.53 0.46 -1.15 4.05 2.04 -0.78 -2.59 117.51 120.07 1um2 h ILE 606 Ca 0.59 -0.76 0.34 0.00 1.00 0.00 0.00 64.86 66.02 1um2 h ILE 606 Cb 1.25 0.74 -0.11 0.00 -0.74 0.00 0.00 36.82 37.96 1um2 h ILE 606 CO -0.34 0.10 0.74 0.44 0.00 0.00 0.00 178.15 179.10 1um2 h ASP 607 N -0.96 0.35 0.10 1.72 3.32 0.14 0.40 116.42 121.49 1um2 h ASP 607 Ca -0.04 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1um2 h ASP 607 Cb 0.51 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1um2 h ASP 607 CO 0.07 -0.03 -0.05 0.77 -1.72 0.00 0.00 179.24 178.29 1um2 h SER 608 N 0.25 -0.12 0.00 6.45 4.64 -0.29 -3.43 113.55 121.06 1um2 h SER 608 Ca 0.69 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.97 1um2 h SER 608 Cb 1.96 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 63.99 1um2 h SER 608 CO -0.34 -0.05 -0.54 -0.90 -0.87 0.00 0.00 176.83 174.12 1um2 n ASP 609 N -2.54 0.68 -4.97 4.97 5.75 -0.99 -4.54 116.55 114.91 1um2 n ASP 609 Ca -0.02 -2.28 -0.20 0.00 -0.01 0.00 0.00 54.79 52.29 1um2 n ASP 609 Cb 0.05 -0.28 0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1um2 n ASP 609 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1um2 s GLY 610 N -1.64 1.78 -0.09 6.12 0.00 0.14 -4.05 107.32 109.57 1um2 s GLY 610 Ca 0.15 -1.96 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 1um2 s GLY 610 CO -0.04 -1.54 0.38 -2.52 0.00 0.00 0.00 173.10 169.38 1um2 s TYR 611 N -2.68 -0.35 -0.16 1.90 -0.85 0.04 -4.78 117.35 110.48 1um2 s TYR 611 Ca 0.61 0.77 -0.01 0.00 -0.52 0.00 0.00 57.07 57.91 1um2 s TYR 611 Cb -0.07 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 1um2 s TYR 611 CO 0.39 -0.30 -0.10 0.08 -1.52 0.00 0.00 175.55 174.09 1um2 s VAL 612 N -0.46 3.19 0.05 -3.49 1.01 -1.26 -1.40 120.40 118.05 1um2 s VAL 612 Ca -0.06 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1um2 s VAL 612 Cb -0.04 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1um2 s VAL 612 CO 0.03 0.50 -0.26 0.42 0.00 0.00 0.00 175.10 175.78 1um2 s THR 613 N 0.64 2.11 -0.13 3.92 -4.23 -0.82 -4.96 115.64 112.16 1um2 s THR 613 Ca -0.06 -1.40 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1um2 s THR 613 Cb -0.15 -1.81 0.26 0.00 1.34 0.00 0.00 72.50 72.14 1um2 s THR 613 CO 0.03 0.33 1.15 -0.90 -0.54 0.00 0.00 174.62 174.69 1um2 n ASP 614 N 1.72 2.45 -0.01 3.99 5.68 -1.26 -2.23 116.55 126.89 1um2 n ASP 614 Ca -0.17 -2.83 -0.02 0.00 -0.50 0.00 0.00 54.79 51.27 1um2 n ASP 614 Cb 0.52 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 1um2 n ASP 614 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1um2 h GLU 615 N 0.24 -0.05 -0.73 0.11 5.08 -1.97 -3.14 114.58 114.12 1um2 h GLU 615 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 1um2 h GLU 615 Cb 0.94 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 29.88 1um2 h GLU 615 CO 0.02 -0.04 -0.19 0.72 -1.00 0.00 0.00 179.01 178.53 1um2 n HIS 616 N -3.01 2.53 0.00 4.33 8.25 -1.26 -4.99 115.22 121.06 1um2 n HIS 616 Ca -0.01 -2.32 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 1um2 n HIS 616 Cb 0.04 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.47 1um2 n HIS 616 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um2 n GLY 617 N -0.86 3.33 3.76 -1.41 0.00 -1.19 -5.07 105.19 103.77 1um2 n GLY 617 Ca 0.47 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1um2 n GLY 617 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1um2 s ILE 618 N -2.88 2.71 -0.29 -0.61 1.10 -1.26 -4.29 121.20 115.67 1um2 s ILE 618 Ca 0.00 0.55 -0.23 0.00 -0.51 0.00 0.00 60.65 60.45 1um2 s ILE 618 Cb 0.00 -3.28 0.16 0.00 0.15 0.00 0.00 42.46 39.49 1um2 s ILE 618 CO 0.00 0.01 1.21 -1.59 -2.11 0.00 0.00 174.94 172.46 1um2 s LYS 619 N -2.69 0.28 -0.10 3.50 -2.85 -0.95 -4.48 119.74 112.45 1um2 s LYS 619 Ca 0.65 0.35 0.02 0.00 -1.00 0.00 0.00 55.97 56.00 1um2 s LYS 619 Cb -0.34 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.54 1um2 s LYS 619 CO 0.41 -0.04 -0.17 0.00 0.10 0.00 0.00 175.35 175.65 1um2 s ALA 620 N 0.32 2.47 -0.05 0.59 0.00 -0.78 -1.95 121.76 122.37 1um2 s ALA 620 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1um2 s ALA 620 Cb -0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1um2 s ALA 620 CO -0.11 0.35 -0.03 0.99 0.00 0.00 0.00 175.76 176.96 1um2 s THR 621 N 0.04 4.01 0.15 0.00 2.01 -0.49 -0.99 115.64 120.38 1um2 s THR 621 Ca -0.06 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1um2 s THR 621 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1um2 s THR 621 CO 0.05 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.75 1um2 s ILE 622 N -0.92 1.38 0.13 1.82 1.01 -1.00 -0.78 121.20 122.85 1um2 s ILE 622 Ca 0.15 -1.96 0.08 0.00 0.00 0.00 0.00 60.65 58.91 1um2 s ILE 622 Cb -0.11 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1um2 s ILE 622 CO 0.04 -0.58 -0.19 -0.54 0.00 0.00 0.00 174.94 173.68 1um2 s LYS 623 N -3.29 1.17 0.15 2.79 -0.14 -1.26 -1.83 119.74 117.33 1um2 s LYS 623 Ca 0.15 -1.28 -0.24 0.00 -1.36 0.00 0.00 55.97 53.24 1um2 s LYS 623 Cb -0.01 -1.28 0.06 0.00 -1.68 0.00 0.00 37.83 34.92 1um2 s LYS 623 CO 0.03 0.27 0.77 -0.08 -0.76 0.00 0.00 175.35 175.59 1um2 s THR 624 N -1.70 0.00 -0.03 2.17 -1.32 -1.08 -4.97 115.64 108.70 1um2 s THR 624 Ca 0.11 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1um2 s THR 624 Cb -0.07 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1um2 s THR 624 CO 0.05 0.00 -0.03 -0.38 -2.21 0.00 0.00 174.62 172.05 1um2 n ILE 625 N -0.39 0.19 -2.06 5.08 -0.00 -1.26 0.66 119.36 121.58 1um2 n ILE 625 Ca -0.10 -0.07 -0.42 0.00 -0.00 0.00 0.00 62.75 62.16 1um2 n ILE 625 Cb 0.62 -0.72 -0.03 0.00 -0.00 0.00 0.00 39.64 39.51 1um2 n ILE 625 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1um2 s HIS 626 N -2.07 1.88 0.56 1.39 3.76 -1.26 -4.79 115.29 114.77 1um2 s HIS 626 Ca -0.04 0.65 0.29 0.00 -0.15 0.00 0.00 55.06 55.80 1um2 s HIS 626 Cb 0.01 -4.15 1.74 0.00 1.11 0.00 0.00 32.58 31.29 1um2 s HIS 626 CO 0.07 -2.71 2.22 1.79 -0.85 0.00 0.00 174.74 175.27 1um2 h THR 627 N 6.76 0.56 0.00 1.30 1.35 -1.96 0.16 112.91 121.08 1um2 h THR 627 Ca -0.32 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1um2 h THR 627 Cb 1.16 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1um2 h THR 627 CO 1.07 0.02 0.01 -1.54 -0.25 0.00 0.00 175.52 174.83 1um2 n SER 628 N -3.86 0.09 -0.07 5.36 3.41 -1.26 -1.01 113.62 116.28 1um2 n SER 628 Ca -0.03 0.53 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 1um2 n SER 628 Cb 0.11 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1um2 n SER 628 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1um2 n VAL 629 N -1.62 0.78 0.00 -3.33 0.31 0.49 -2.48 118.33 112.48 1um2 n VAL 629 Ca -0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1um2 n VAL 629 Cb 0.02 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1um2 n VAL 629 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1um2 n ARG 630 N -3.59 0.00 -0.37 5.55 0.63 -0.71 0.67 116.66 118.83 1um2 n ARG 630 Ca -0.28 0.79 0.38 0.00 -0.92 0.00 0.00 57.85 57.82 1um2 n ARG 630 Cb 0.70 -1.44 0.76 0.00 0.45 0.00 0.00 32.46 32.93 1um2 n ARG 630 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1um2 h ASP 631 N 0.00 0.00 -0.20 6.15 3.32 -1.35 0.46 116.42 124.80 1um2 h ASP 631 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1um2 h ASP 631 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1um2 h ASP 631 CO 0.00 0.00 -0.16 1.23 -1.72 0.00 0.00 179.24 178.59 1um2 h GLY 632 N 0.00 0.49 0.84 2.75 0.00 0.08 -3.28 103.07 103.95 1um2 h GLY 632 Ca 0.61 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 1um2 h GLY 632 CO -0.01 0.44 -0.22 -2.00 0.00 0.00 0.00 176.54 174.75 1um2 h LEU 633 N 0.13 0.55 -1.25 3.11 5.85 0.45 -2.42 115.31 121.72 1um2 h LEU 633 Ca 0.04 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1um2 h LEU 633 Cb 0.69 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1um2 h LEU 633 CO 0.04 0.92 0.28 0.58 -0.34 0.00 0.00 178.44 179.93 1um2 h VAL 634 N 0.18 0.00 0.00 1.05 2.07 -1.12 0.49 116.25 118.93 1um2 h VAL 634 Ca 0.03 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.35 1um2 h VAL 634 Cb 0.77 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1um2 h VAL 634 CO 0.05 0.00 -1.77 -0.24 0.02 0.00 0.00 177.57 175.63 1um2 n SER 635 N -2.32 2.65 0.22 0.57 2.88 -1.17 -3.64 113.62 112.80 1um2 n SER 635 Ca -0.01 -0.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.54 1um2 n SER 635 Cb 0.31 0.23 0.49 0.00 -0.75 0.00 0.00 64.21 64.49 1um2 n SER 635 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1um2 h LEU 636 N 0.00 0.00 0.28 2.46 5.85 -0.77 0.21 115.31 123.34 1um2 h LEU 636 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1um2 h LEU 636 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1um2 h LEU 636 CO -0.02 0.22 -0.13 0.00 -0.34 0.00 0.00 178.44 178.16 1um2 h ALA 637 N 1.78 -0.79 -0.93 1.25 0.00 -0.25 -3.25 119.26 117.07 1um2 h ALA 637 Ca -0.00 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1um2 h ALA 637 Cb 0.39 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1um2 h ALA 637 CO 0.03 -0.76 0.53 0.00 0.00 0.00 0.00 179.25 179.04 1um2 h ARG 638 N -0.50 0.70 -1.45 0.00 3.08 -1.58 -0.48 114.38 114.14 1um2 h ARG 638 Ca -0.04 -0.04 0.45 0.00 0.07 0.00 0.00 59.98 60.42 1um2 h ARG 638 Cb 0.29 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.08 1um2 h ARG 638 CO 0.06 0.46 0.99 0.66 -1.07 0.00 0.00 179.97 181.07 1um2 h SER 639 N 0.72 0.16 0.53 7.04 4.64 -0.62 0.30 113.55 126.32 1um2 h SER 639 Ca 0.52 0.08 -0.29 0.00 -0.47 0.00 0.00 61.79 61.62 1um2 h SER 639 Cb 0.74 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1um2 h SER 639 CO -0.36 -0.09 -1.42 -0.07 -0.87 0.00 0.00 176.83 174.02 1um2 h LEU 640 N 0.07 0.38 0.00 5.97 3.38 -1.14 0.19 115.31 124.16 1um2 h LEU 640 Ca 0.80 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1um2 h LEU 640 Cb 2.77 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.40 1um2 h LEU 640 CO -0.25 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.28 1um2 n GLY 641 N 1.61 0.38 3.72 0.83 0.00 0.09 -4.78 105.19 107.04 1um2 n GLY 641 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1um2 n GLY 641 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um2 s LEU 642 N 0.00 2.85 -0.14 0.99 1.43 -1.25 -4.89 118.68 117.68 1um2 s LEU 642 Ca 0.00 1.95 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1um2 s LEU 642 Cb 0.00 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 1um2 s LEU 642 CO 0.00 -2.58 0.10 -0.69 0.23 0.00 0.00 176.35 173.41 1um2 s VAL 643 N -2.79 5.15 0.05 -1.59 1.01 0.11 -4.47 120.40 117.87 1um2 s VAL 643 Ca 0.64 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1um2 s VAL 643 Cb -0.20 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1um2 s VAL 643 CO 0.57 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 175.47 1um2 s VAL 644 N -0.51 0.52 -0.03 2.92 1.01 -1.26 -1.69 120.40 121.36 1um2 s VAL 644 Ca 0.11 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 1um2 s VAL 644 Cb -0.12 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1um2 s VAL 644 CO 0.02 -0.53 0.42 -0.94 0.00 0.00 0.00 175.10 174.06 1um2 s SER 645 N -1.96 -0.33 0.03 3.32 1.04 -0.78 -5.00 113.70 110.01 1um2 s SER 645 Ca -0.05 0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1um2 s SER 645 Cb -0.06 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1um2 s SER 645 CO -0.01 -0.48 -0.20 -0.69 0.98 0.00 0.00 173.24 172.83 1um2 s VAL 646 N -1.24 1.61 -0.03 5.02 1.01 -1.26 -0.49 120.40 125.02 1um2 s VAL 646 Ca -0.12 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1um2 s VAL 646 Cb -0.04 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1um2 s VAL 646 CO 0.06 0.24 -0.07 0.21 0.00 0.00 0.00 175.10 175.54 1um2 s ASN 647 N -1.02 1.08 -0.22 3.32 3.04 -0.56 -4.37 114.94 116.21 1um2 s ASN 647 Ca 0.07 -0.16 -0.11 0.00 0.04 0.00 0.00 52.86 52.69 1um2 s ASN 647 Cb -0.08 -0.38 -0.05 0.00 -1.54 0.00 0.00 41.25 39.20 1um2 s ASN 647 CO 0.01 0.02 0.19 0.00 -3.04 0.00 0.00 177.10 174.29 1um2 s ALA 648 N 0.44 3.62 0.00 1.71 0.00 -1.26 -0.62 121.76 125.65 1um2 s ALA 648 Ca -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1um2 s ALA 648 Cb -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1um2 s ALA 648 CO 0.01 -0.08 0.00 0.39 0.00 0.00 0.00 175.76 176.07 1um2 n GLU 649 N 4.03 1.67 -1.80 0.00 1.02 0.15 -4.99 120.64 120.73 1um2 n GLU 649 Ca -0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 1um2 n GLU 649 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 1um2 n GLU 649 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1um2 n PRO 650 N -0.45 1.12 0.00 3.49 -0.02 -1.26 -3.04 135.00 134.85 1um2 n PRO 650 Ca 0.00 -2.16 0.00 0.00 -2.02 0.00 0.00 63.50 59.32 1um2 n PRO 650 Cb 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 33.50 29.80 1um2 n PRO 650 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1um2 n ILE 662 N 7.98 0.00 -4.68 4.25 5.41 -1.26 -5.12 119.36 125.95 1um2 n ILE 662 Ca 0.44 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.86 1um2 n ILE 662 Cb 0.46 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.27 1um2 n ILE 662 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1um2 s SER 663 N 0.00 4.42 0.21 4.38 0.15 -1.17 -4.48 113.70 117.21 1um2 s SER 663 Ca 0.00 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.60 1um2 s SER 663 Cb 0.00 -1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 1um2 s SER 663 CO 0.00 0.29 -0.01 -0.31 1.20 0.00 0.00 173.24 174.41 1um2 s TYR 664 N -0.40 2.77 -0.05 3.44 2.02 0.21 0.35 117.35 125.68 1um2 s TYR 664 Ca 0.05 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1um2 s TYR 664 Cb -0.12 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1um2 s TYR 664 CO 0.02 0.55 -0.04 0.00 -1.57 0.00 0.00 175.55 174.51 1um2 s ALA 665 N -1.94 0.70 -0.34 3.71 0.00 0.21 -2.65 121.76 121.44 1um2 s ALA 665 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1um2 s ALA 665 Cb -0.08 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.65 1um2 s ALA 665 CO 0.19 -0.06 0.08 0.42 0.00 0.00 0.00 175.76 176.39 1um2 s ILE 666 N 1.03 3.11 -0.13 0.00 1.09 -0.76 -1.50 121.20 124.04 1um2 s ILE 666 Ca -0.09 -1.67 -0.21 0.00 -1.10 0.00 0.00 60.65 57.58 1um2 s ILE 666 Cb -0.14 -2.94 -0.03 0.00 -1.06 0.00 0.00 42.46 38.28 1um2 s ILE 666 CO -0.01 -0.35 0.61 -0.31 -0.10 0.00 0.00 174.94 174.78 1um2 s TYR 667 N 1.20 3.49 0.12 3.97 1.51 0.36 -2.36 117.35 125.64 1um2 s TYR 667 Ca 0.01 1.03 0.09 0.00 -1.01 0.00 0.00 57.07 57.19 1um2 s TYR 667 Cb -0.21 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.88 1um2 s TYR 667 CO -0.02 0.02 -0.22 -1.64 -1.11 0.00 0.00 175.55 172.57 1um2 s MET 668 N 1.14 1.24 0.25 -0.62 -1.94 -0.16 -1.87 119.30 117.34 1um2 s MET 668 Ca 0.31 -1.27 -0.22 0.00 -1.71 0.00 0.00 55.69 52.80 1um2 s MET 668 Cb -0.16 -1.55 0.03 0.00 2.01 0.00 0.00 34.83 35.16 1um2 s MET 668 CO 0.13 0.36 0.78 -1.54 -0.01 0.00 0.00 175.02 174.74 1um2 s SER 669 N -2.09 -0.23 0.00 3.03 1.04 -0.68 -1.86 113.70 112.90 1um2 s SER 669 Ca 0.11 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1um2 s SER 669 Cb -0.09 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1um2 s SER 669 CO 0.05 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1um2 n GLY 670 N -0.46 -0.24 7.00 7.32 0.00 -1.26 0.09 105.19 117.63 1um2 n GLY 670 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1um2 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um2 n GLY 671 N 0.00 2.95 0.22 -0.02 0.00 -1.26 -3.19 105.19 103.89 1um2 n GLY 671 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1um2 n GLY 671 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1um2 h ASP 672 N 0.00 0.44 -0.82 1.61 3.32 -1.98 -0.57 116.42 118.42 1um2 h ASP 672 Ca 0.00 0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.24 1um2 h ASP 672 Cb 0.00 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.38 1um2 h ASP 672 CO 0.00 0.30 0.36 0.58 -1.72 0.00 0.00 179.24 178.76 1um2 h VAL 673 N 0.57 0.62 -0.12 -1.35 2.07 -1.90 0.13 116.25 116.28 1um2 h VAL 673 Ca 0.24 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.43 1um2 h VAL 673 Cb 0.12 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1um2 h VAL 673 CO -0.15 0.09 -0.62 0.25 0.02 0.00 0.00 177.57 177.16 1um2 h LEU 674 N 0.47 0.48 0.60 2.57 5.85 -1.46 -3.20 115.31 120.62 1um2 h LEU 674 Ca 0.47 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1um2 h LEU 674 Cb 0.76 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1um2 h LEU 674 CO -0.43 0.98 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.24 1um2 h LEU 675 N 0.31 -0.82 -1.91 2.25 3.38 0.68 -0.31 115.31 118.89 1um2 h LEU 675 Ca -0.01 0.04 0.49 0.00 0.09 0.00 0.00 57.88 58.50 1um2 h LEU 675 Cb 1.16 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 1um2 h LEU 675 CO 0.11 -0.54 1.19 -1.13 0.09 0.00 0.00 178.44 178.16 1um2 h ASN 676 N -0.87 0.04 0.78 -0.43 -1.24 -0.95 1.38 115.58 114.29 1um2 h ASN 676 Ca -0.08 0.02 -0.19 0.00 0.71 0.00 0.00 56.30 56.76 1um2 h ASN 676 Cb 0.69 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 1um2 h ASN 676 CO 0.10 -0.03 -1.32 0.58 -1.29 0.00 0.00 177.43 175.47 1um2 h VAL 677 N 0.02 0.71 -0.00 2.57 2.07 -1.37 -3.37 116.25 116.87 1um2 h VAL 677 Ca 0.83 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1um2 h VAL 677 Cb 3.20 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 35.20 1um2 h VAL 677 CO -0.07 0.41 -0.65 0.18 0.02 0.00 0.00 177.57 177.46 1um2 n LEU 678 N -3.00 1.13 -0.36 2.57 4.77 0.45 -3.86 117.00 118.69 1um2 n LEU 678 Ca -0.09 -0.41 0.11 0.00 -0.03 0.00 0.00 56.01 55.59 1um2 n LEU 678 Cb 0.88 -0.08 0.49 0.00 -2.33 0.00 0.00 43.42 42.38 1um2 n LEU 678 CO 0.43 0.24 0.84 -1.54 -1.33 0.00 0.00 177.39 176.03 1um2 n SER 679 N -1.02 1.10 -0.00 -1.43 3.41 0.24 -2.82 113.62 113.09 1um2 n SER 679 Ca 0.07 -1.54 0.07 0.00 -0.26 0.00 0.00 58.87 57.21 1um2 n SER 679 Cb 0.37 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 1um2 n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1um2 n LYS 680 N -0.08 1.55 -1.43 4.33 5.02 -1.25 -4.87 118.16 121.42 1um2 n LYS 680 Ca 0.17 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 1um2 n LYS 680 Cb 0.25 -1.26 0.13 0.00 -0.02 0.00 0.00 35.03 34.13 1um2 n LYS 680 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1um2 n ALA 682 N -3.77 0.56 -2.16 0.00 0.00 -1.26 -4.67 120.51 109.20 1um2 n ALA 682 Ca 0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1um2 n ALA 682 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1um2 n ALA 682 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1um2 s GLY 683 N -0.26 1.34 0.00 0.00 0.00 -1.26 -3.88 107.32 103.26 1um2 s GLY 683 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1um2 s GLY 683 CO 0.00 2.91 0.00 -1.26 0.00 0.00 0.00 173.10 174.75 1um2 n SER 684 N 7.93 0.00 -0.93 1.64 2.88 -1.26 0.16 113.62 124.04 1um2 n SER 684 Ca 0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.77 1um2 n SER 684 Cb 0.45 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.10 1um2 n SER 684 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1um2 n LYS 685 N -0.22 2.35 -0.01 -1.46 4.76 -1.26 -4.16 118.16 118.16 1um2 n LYS 685 Ca 0.00 -1.56 0.01 0.00 -2.87 0.00 0.00 58.31 53.89 1um2 n LYS 685 Cb 0.00 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.63 1um2 n LYS 685 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1um2 n LYS 686 N 0.58 1.28 -0.40 1.97 5.02 0.41 -4.50 118.16 122.52 1um2 n LYS 686 Ca 0.14 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 1um2 n LYS 686 Cb 0.49 -1.14 0.27 0.00 -0.02 0.00 0.00 35.03 34.64 1um2 n LYS 686 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1um2 n PHE 687 N -1.89 -2.03 -3.65 2.13 7.35 -1.20 -4.88 117.46 113.31 1um2 n PHE 687 Ca -0.04 -0.35 -0.00 0.00 -0.76 0.00 0.00 57.45 56.30 1um2 n PHE 687 Cb 0.35 -1.59 -0.06 0.00 0.35 0.00 0.00 39.48 38.52 1um2 n PHE 687 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1um2 s ARG 688 N -4.52 0.18 0.61 -4.13 1.81 -1.13 -4.97 118.95 106.81 1um2 s ARG 688 Ca 0.68 0.29 -0.19 0.00 -1.72 0.00 0.00 55.73 54.80 1um2 s ARG 688 Cb -0.22 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 1um2 s ARG 688 CO 0.64 -0.04 1.11 -2.30 -0.68 0.00 0.00 175.30 174.03 1um2 n PRO 689 N 3.11 1.04 -0.79 3.54 -0.02 -1.26 -3.29 135.00 137.34 1um2 n PRO 689 Ca -0.17 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.43 1um2 n PRO 689 Cb 0.57 -2.32 0.23 0.00 -0.02 0.00 0.00 33.50 31.95 1um2 n PRO 689 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1um2 s ALA 690 N -1.45 -0.01 0.99 3.55 0.00 -1.26 -4.77 121.76 118.81 1um2 s ALA 690 Ca 0.78 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1um2 s ALA 690 Cb -0.41 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.60 1um2 s ALA 690 CO 0.45 -3.57 0.22 -2.30 0.00 0.00 0.00 175.76 170.56 1um2 n PRO 691 N -4.72 -0.58 0.02 0.00 -0.02 -1.26 -4.90 135.00 123.53 1um2 n PRO 691 Ca 0.04 -0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1um2 n PRO 691 Cb 0.56 -1.76 0.16 0.00 -0.02 0.00 0.00 33.50 32.44 1um2 n PRO 691 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1um2 n ALA 692 N -3.73 3.45 -3.00 3.55 0.00 -1.26 -4.97 120.51 114.54 1um2 n ALA 692 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1um2 n ALA 692 Cb 0.56 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1um2 n ALA 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um2 n ALA 693 N -1.65 0.00 -2.03 0.00 0.00 -1.26 -5.14 120.51 110.43 1um2 n ALA 693 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.14 1um2 n ALA 693 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1um2 n ALA 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um2 s ALA 694 N -1.23 3.28 -0.01 0.00 0.00 -1.26 -5.07 121.76 117.47 1um2 s ALA 694 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1um2 s ALA 694 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.23 1um2 s ALA 694 CO 0.00 0.28 -0.01 -0.59 0.00 0.00 0.00 175.76 175.44 1um2 s PHE 695 N -1.85 0.17 0.25 0.00 -0.71 -1.26 -5.15 117.98 109.43 1um2 s PHE 695 Ca 0.52 -0.00 -0.07 0.00 -1.04 0.00 0.00 56.93 56.34 1um2 s PHE 695 Cb -0.13 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.44 1um2 s PHE 695 CO 0.18 -0.04 0.53 0.00 -1.34 0.00 0.00 175.22 174.55 1um2 s ALA 696 N 0.32 3.62 -1.12 1.99 0.00 -1.26 -5.02 121.76 120.28 1um2 s ALA 696 Ca -0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1um2 s ALA 696 Cb -0.05 -2.34 0.28 0.00 0.00 0.00 0.00 23.12 21.01 1um2 s ALA 696 CO -0.01 0.41 1.49 0.54 0.00 0.00 0.00 175.76 178.19 1um2 n ARG 697 N -0.48 4.16 -0.95 0.00 1.74 -1.26 -4.91 116.66 114.96 1um2 n ARG 697 Ca -0.01 -4.34 -0.34 0.00 -0.77 0.00 0.00 57.85 52.39 1um2 n ARG 697 Cb 0.53 -2.61 0.10 0.00 -1.02 0.00 0.00 32.46 29.46 1um2 n ARG 697 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1um2 n GLU 698 N 2.12 -0.10 -2.39 5.56 1.02 -1.26 -4.53 120.64 121.06 1um2 n GLU 698 Ca 0.28 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 57.09 1um2 n GLU 698 Cb 0.35 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1um2 n GLU 698 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1um2 s ARG 700 N -3.35 2.97 0.67 0.00 1.81 -0.46 -4.93 118.95 115.66 1um2 s ARG 700 Ca 0.69 -0.43 -0.07 0.00 -1.72 0.00 0.00 55.73 54.20 1um2 s ARG 700 Cb -0.19 -2.77 0.04 0.00 -0.45 0.00 0.00 34.95 31.59 1um2 s ARG 700 CO 0.24 0.68 0.98 0.20 -0.68 0.00 0.00 175.30 176.73 1um2 s GLY 701 N -0.83 1.66 -0.30 -3.53 0.00 -1.26 -1.63 107.32 101.43 1um2 s GLY 701 Ca 0.13 -0.83 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 1um2 s GLY 701 CO 0.02 -0.46 0.68 -0.11 0.00 0.00 0.00 173.10 173.22 1um2 s PHE 702 N -3.17 -1.37 0.78 1.90 -0.71 0.00 -4.88 117.98 110.53 1um2 s PHE 702 Ca 0.58 1.86 -0.11 0.00 -1.04 0.00 0.00 56.93 58.22 1um2 s PHE 702 Cb -0.11 0.63 0.06 0.00 -1.21 0.00 0.00 43.02 42.40 1um2 s PHE 702 CO 0.45 -0.72 1.11 0.71 -1.34 0.00 0.00 175.22 175.43 1um2 s TYR 703 N 2.85 2.38 0.35 3.49 2.02 -1.26 -2.54 117.35 124.64 1um2 s TYR 703 Ca 0.07 1.60 -0.08 0.00 -0.37 0.00 0.00 57.07 58.30 1um2 s TYR 703 Cb -0.13 -3.14 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1um2 s TYR 703 CO -0.19 -2.01 0.57 -0.59 -1.57 0.00 0.00 175.55 171.76 1um2 s PHE 704 N -2.74 0.71 -0.08 2.71 -0.71 -1.26 -1.83 117.98 114.78 1um2 s PHE 704 Ca 0.64 -1.09 0.03 0.00 -1.04 0.00 0.00 56.93 55.47 1um2 s PHE 704 Cb -0.19 0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1um2 s PHE 704 CO 0.54 -1.26 -0.18 -1.21 -1.34 0.00 0.00 175.22 171.77 1um2 s GLU 705 N -2.92 2.87 -0.16 1.99 0.41 0.31 -4.59 118.70 116.60 1um2 s GLU 705 Ca 0.25 -0.78 0.01 0.00 -0.41 0.00 0.00 54.97 54.04 1um2 s GLU 705 Cb -0.02 -2.38 0.02 0.00 -1.78 0.00 0.00 34.13 29.97 1um2 s GLU 705 CO 0.17 0.36 -0.20 -1.17 -0.49 0.00 0.00 175.26 173.93 1um2 s LEU 706 N -0.08 2.09 -0.16 1.80 2.96 -1.26 0.09 118.68 124.12 1um2 s LEU 706 Ca -0.04 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 1um2 s LEU 706 Cb -0.14 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.12 1um2 s LEU 706 CO 0.04 0.02 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.31 1um2 s GLN 707 N 1.14 3.02 0.17 1.98 2.00 -1.15 -4.98 119.66 121.83 1um2 s GLN 707 Ca 0.01 -0.83 -0.31 0.00 -2.00 0.00 0.00 55.36 52.22 1um2 s GLN 707 Cb -0.14 -2.52 -0.09 0.00 0.80 0.00 0.00 33.01 31.05 1um2 s GLN 707 CO -0.09 -0.12 1.50 -2.00 -0.50 0.00 0.00 175.29 174.08 1um2 s GLU 708 N 1.08 4.25 0.10 1.67 2.12 -1.26 -2.50 118.70 124.16 1um2 s GLU 708 Ca -0.00 2.27 0.08 0.00 0.36 0.00 0.00 54.97 57.68 1um2 s GLU 708 Cb -0.14 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1um2 s GLU 708 CO -0.08 -0.53 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.39 1um2 s LEU 709 N 0.86 2.29 0.00 2.70 1.43 -0.20 -4.98 118.68 120.79 1um2 s LEU 709 Ca 0.67 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1um2 s LEU 709 Cb -0.41 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1um2 s LEU 709 CO 0.33 0.08 0.00 2.29 0.23 0.00 0.00 176.35 179.28 1um2 n LYS 710 N 1.13 0.00 -3.94 1.70 2.85 -1.26 -2.67 118.16 115.96 1um2 n LYS 710 Ca -0.19 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 56.99 1um2 n LYS 710 Cb 0.53 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.83 1um2 n LYS 710 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1um2 s GLU 711 N 0.00 0.74 0.00 -1.58 2.12 -1.26 -3.62 118.70 115.10 1um2 s GLU 711 Ca 0.00 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.29 1um2 s GLU 711 Cb 0.00 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1um2 s GLU 711 CO 0.00 -0.20 0.00 -3.47 -0.54 0.00 0.00 175.26 171.05 1um2 n ASP 712 N 0.05 0.00 -4.79 -1.70 2.03 -0.87 -4.94 116.55 106.34 1um2 n ASP 712 Ca -0.15 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.87 1um2 n ASP 712 Cb 0.62 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.14 1um2 n ASP 712 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1um2 s ASP 713 N 0.00 3.68 0.11 1.67 -4.77 -1.26 -1.99 116.67 114.10 1um2 s ASP 713 Ca 0.00 1.04 -0.25 0.00 -3.30 0.00 0.00 52.55 50.04 1um2 s ASP 713 Cb 0.00 -1.65 0.08 0.00 -1.09 0.00 0.00 42.92 40.26 1um2 s ASP 713 CO 0.00 -2.45 0.69 -0.72 0.70 0.00 0.00 175.17 173.39 1um2 s TYR 714 N -3.24 -0.48 -0.16 2.11 -0.85 -0.93 -4.64 117.35 109.16 1um2 s TYR 714 Ca 0.63 0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 57.43 1um2 s TYR 714 Cb -0.15 0.55 0.07 0.00 0.38 0.00 0.00 41.96 42.82 1um2 s TYR 714 CO 0.54 -0.75 0.19 0.71 -1.52 0.00 0.00 175.55 174.72 1um2 s TYR 715 N -3.54 -0.20 0.72 -3.49 1.51 -0.62 -3.57 117.35 108.15 1um2 s TYR 715 Ca 0.02 0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1um2 s TYR 715 Cb -0.01 -0.35 0.11 0.00 -0.11 0.00 0.00 41.96 41.60 1um2 s TYR 715 CO -0.12 -0.48 1.00 0.20 -1.11 0.00 0.00 175.55 175.04 1um2 s GLY 716 N 2.30 1.76 -0.04 0.71 0.00 0.17 -2.43 107.32 109.79 1um2 s GLY 716 Ca 0.05 -1.47 0.23 0.00 0.00 0.00 0.00 44.72 43.53 1um2 s GLY 716 CO -0.10 -0.95 1.18 1.39 0.00 0.00 0.00 173.10 174.62 1um2 n ILE 717 N -2.88 0.40 0.00 0.90 -0.00 -1.26 -3.08 119.36 113.44 1um2 n ILE 717 Ca 0.13 -1.41 0.00 0.00 -0.00 0.00 0.00 62.75 61.47 1um2 n ILE 717 Cb 0.60 0.79 0.00 0.00 -0.00 0.00 0.00 39.64 41.03 1um2 n ILE 717 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1um2 n THR 718 N 0.21 0.00 -1.98 1.39 -1.04 -1.26 -4.54 114.28 107.05 1um2 n THR 718 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1um2 n THR 718 Cb 1.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 1um2 n THR 718 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1um2 n LEU 719 N 0.00 0.00 0.00 -4.42 4.77 -1.26 -2.96 117.00 113.12 1um2 n LEU 719 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1um2 n LEU 719 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1um2 n LEU 719 CO 0.00 -0.49 0.00 -1.54 -1.33 0.00 0.00 177.39 174.03 1um2 n SER 720 N -2.96 0.00 0.00 -1.43 3.41 -1.19 -4.78 113.62 106.67 1um2 n SER 720 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1um2 n SER 720 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1um2 n SER 720 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1um2 n ASP 721 N 0.00 1.77 -1.23 4.04 2.03 -1.26 -4.66 116.55 117.24 1um2 n ASP 721 Ca 0.00 -0.22 0.07 0.00 0.52 0.00 0.00 54.79 55.16 1um2 n ASP 721 Cb 0.00 0.80 0.30 0.00 -0.72 0.00 0.00 41.12 41.50 1um2 n ASP 721 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1um2 n ASP 722 N -0.97 4.45 -4.73 1.67 5.68 -1.26 -4.99 116.55 116.39 1um2 n ASP 722 Ca 0.00 -3.02 -0.27 0.00 -0.50 0.00 0.00 54.79 51.00 1um2 n ASP 722 Cb 0.00 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.31 1um2 n ASP 722 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1um2 s SER 723 N -1.58 4.25 0.48 -1.12 1.04 -1.26 -5.04 113.70 110.45 1um2 s SER 723 Ca 0.46 -1.29 0.20 0.00 0.48 0.00 0.00 55.95 55.80 1um2 s SER 723 Cb 0.37 -0.14 1.20 0.00 0.10 0.00 0.00 66.02 67.55 1um2 s SER 723 CO 0.11 -0.65 2.03 -2.24 0.98 0.00 0.00 173.24 173.47 1um2 h ASP 724 N 1.42 0.00 0.00 7.02 2.03 -1.96 -3.47 116.42 121.47 1um2 h ASP 724 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1um2 h ASP 724 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1um2 h ASP 724 CO 0.72 0.16 0.00 1.41 -1.03 0.00 0.00 179.24 180.50 1um2 n HIS 725 N -4.02 0.00 -4.45 4.15 8.25 -1.26 -4.97 115.22 112.92 1um2 n HIS 725 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1um2 n HIS 725 Cb 0.24 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.22 1um2 n HIS 725 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1um2 s GLN 726 N -0.07 1.60 0.13 -0.41 -0.21 -1.26 0.23 119.66 119.68 1um2 s GLN 726 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 55.36 54.01 1um2 s GLN 726 Cb 0.00 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 32.03 1um2 s GLN 726 CO 0.00 0.47 0.32 -0.59 -2.12 0.00 0.00 175.29 173.38 1um2 s PHE 727 N -1.04 0.05 -0.09 0.91 -0.71 -1.03 -4.51 117.98 111.56 1um2 s PHE 727 Ca 0.15 -0.42 -0.19 0.00 -1.04 0.00 0.00 56.93 55.44 1um2 s PHE 727 Cb -0.10 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1um2 s PHE 727 CO 0.07 -0.68 0.51 -0.51 -1.34 0.00 0.00 175.22 173.26 1um2 s LEU 728 N -2.87 4.32 0.00 -1.99 1.43 0.13 -2.78 118.68 116.91 1um2 s LEU 728 Ca 0.07 0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 1um2 s LEU 728 Cb 0.03 -2.75 0.25 0.00 0.03 0.00 0.00 46.19 43.74 1um2 s LEU 728 CO -0.08 0.03 0.92 0.18 0.23 0.00 0.00 176.35 177.63 1um2 n LEU 729 N 3.39 0.00 -0.07 1.79 4.77 0.38 -2.57 117.00 124.69 1um2 n LEU 729 Ca -0.07 -0.98 -0.04 0.00 -0.03 0.00 0.00 56.01 54.89 1um2 n LEU 729 Cb 0.52 -0.83 0.17 0.00 -2.33 0.00 0.00 43.42 40.94 1um2 n LEU 729 CO 0.43 -1.91 0.82 0.00 -1.33 0.00 0.00 177.39 175.40 1um2 h ALA 730 N -2.55 1.09 -0.23 -1.18 0.00 -1.55 -2.86 119.26 111.98 1um2 h ALA 730 Ca -0.34 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1um2 h ALA 730 Cb 1.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1um2 h ALA 730 CO 0.22 0.57 0.10 0.27 0.00 0.00 0.00 179.25 180.41 1um2 n ASN 731 N -4.18 2.81 0.00 0.00 0.23 -1.26 -4.84 115.26 108.01 1um2 n ASN 731 Ca 0.01 -2.37 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 1um2 n ASN 731 Cb 0.34 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1um2 n ASN 731 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1um2 n GLN 732 N 0.10 0.00 -1.95 -3.83 6.02 -1.08 -4.94 117.38 111.70 1um2 n GLN 732 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 1um2 n GLN 732 Cb 0.69 -2.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 1um2 n GLN 732 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1um2 s VAL 733 N -2.30 2.50 -0.57 5.09 1.01 -1.26 -0.14 120.40 124.74 1um2 s VAL 733 Ca 0.00 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1um2 s VAL 733 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 33.19 1um2 s VAL 733 CO 0.00 0.07 0.72 -0.69 0.00 0.00 0.00 175.10 175.20 1um2 s VAL 734 N -0.07 4.76 0.32 2.92 1.01 -0.46 -0.47 120.40 128.41 1um2 s VAL 734 Ca 0.60 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1um2 s VAL 734 Cb -0.43 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 1um2 s VAL 734 CO 0.45 -1.06 0.48 0.68 0.00 0.00 0.00 175.10 175.65 1um2 s VAL 735 N 2.87 4.89 -0.03 2.92 -7.23 -1.12 -4.38 120.40 118.33 1um2 s VAL 735 Ca 0.14 -0.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 1um2 s VAL 735 Cb -0.21 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 1um2 s VAL 735 CO 0.09 -0.39 0.23 -2.28 -0.31 0.00 0.00 175.10 172.43 1um2 s HIS 736 N -2.20 3.59 -2.00 2.82 2.46 -1.25 -2.45 115.29 116.26 1um2 s HIS 736 Ca 0.39 0.54 0.09 0.00 0.47 0.00 0.00 55.06 56.55 1um2 s HIS 736 Cb -0.09 -1.96 0.51 0.00 -0.13 0.00 0.00 32.58 30.90 1um2 s HIS 736 CO 0.33 0.66 0.96 0.27 -2.47 0.00 0.00 174.74 174.49