#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m7p s PRO 298 N 0.00 0.39 0.02 3.69 0.04 -1.26 -5.07 135.00 132.81 3m7p s PRO 298 Ca 0.00 0.58 0.05 0.00 0.04 0.00 0.00 61.00 61.66 3m7p s PRO 298 Cb 0.00 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 3m7p s PRO 298 CO 0.00 -2.78 -0.11 -1.01 0.04 0.00 0.00 177.00 173.14 3m7p s HIS 299 N -2.92 2.75 0.97 0.56 3.76 -1.26 -4.86 115.29 114.29 3m7p s HIS 299 Ca 0.65 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.29 3m7p s HIS 299 Cb -0.19 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 31.96 3m7p s HIS 299 CO 0.58 0.32 0.18 -2.30 -0.85 0.00 0.00 174.74 172.68 3m7p n PRO 300 N 1.53 -0.32 -3.15 8.40 -0.02 -1.26 -4.98 135.00 135.20 3m7p n PRO 300 Ca -0.16 -0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 60.87 3m7p n PRO 300 Cb 0.52 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 3m7p n PRO 300 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3m7p s GLN 301 N -3.37 4.28 0.62 -0.52 1.11 -1.26 -5.08 119.66 115.45 3m7p s GLN 301 Ca 0.54 0.63 -0.14 0.00 0.01 0.00 0.00 55.36 56.40 3m7p s GLN 301 Cb -0.20 -3.52 -0.03 0.00 -1.01 0.00 0.00 33.01 28.25 3m7p s GLN 301 CO 0.70 -0.09 1.05 -1.25 0.01 0.00 0.00 175.29 175.71 3m7p s PRO 302 N 1.40 3.27 0.67 2.91 0.04 -1.26 -4.53 135.00 137.50 3m7p s PRO 302 Ca 0.30 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 3m7p s PRO 302 Cb -0.16 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 3m7p s PRO 302 CO 0.12 -0.84 1.06 -1.25 0.04 0.00 0.00 177.00 176.13 3m7p s PRO 303 N -4.45 3.00 0.60 0.56 0.05 -1.26 -5.03 135.00 128.48 3m7p s PRO 303 Ca 0.61 1.04 -0.15 0.00 0.05 0.00 0.00 61.00 62.55 3m7p s PRO 303 Cb -0.14 -2.00 -0.03 0.00 0.05 0.00 0.00 34.50 32.38 3m7p s PRO 303 CO 0.43 -1.05 1.05 -2.14 0.05 0.00 0.00 177.00 175.35 3m7p s PRO 304 N -4.75 3.30 -0.17 0.56 0.02 -1.26 -4.43 135.00 128.26 3m7p s PRO 304 Ca 0.60 1.17 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 3m7p s PRO 304 Cb -0.15 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 3m7p s PRO 304 CO 0.50 -0.82 0.68 0.71 -0.33 0.00 0.00 177.00 177.74 3m7p s TYR 305 N -2.53 3.42 0.00 6.54 2.02 -1.26 -4.75 117.35 120.80 3m7p s TYR 305 Ca 0.63 1.06 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 3m7p s TYR 305 Cb -0.16 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 38.56 3m7p s TYR 305 CO 0.39 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 3m7p n GLY 306 N 3.58 2.80 3.12 0.71 0.00 -1.26 -4.67 105.19 109.47 3m7p n GLY 306 Ca -0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3m7p n GLY 306 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m7p s HIS 307 N -1.16 0.81 -0.14 1.61 3.76 -1.26 -2.47 115.29 116.43 3m7p s HIS 307 Ca 0.00 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3m7p s HIS 307 Cb 0.00 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 3m7p s HIS 307 CO 0.00 -0.11 -0.14 0.00 -0.85 0.00 0.00 174.74 173.63 3m7p s VAL 309 N 0.53 4.42 0.64 0.00 1.01 -1.26 -1.18 120.40 124.55 3m7p s VAL 309 Ca -0.09 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 3m7p s VAL 309 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3m7p s VAL 309 CO 0.04 -0.34 1.04 0.42 0.00 0.00 0.00 175.10 176.26 3m7p s THR 310 N 1.50 4.49 0.33 3.92 -4.23 -0.20 -4.93 115.64 116.53 3m7p s THR 310 Ca 0.02 0.81 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 3m7p s THR 310 Cb -0.21 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.19 3m7p s THR 310 CO 0.05 -1.06 1.65 0.44 -0.54 0.00 0.00 174.62 175.16 3m7p h ASP 311 N -0.40 0.37 0.75 3.99 3.32 -1.98 0.20 116.42 122.66 3m7p h ASP 311 Ca -0.44 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3m7p h ASP 311 Cb 1.20 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3m7p h ASP 311 CO 0.62 -0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.41 3m7p n SER 312 N -5.12 0.00 0.00 6.45 3.41 -1.26 -4.92 113.62 112.18 3m7p n SER 312 Ca 0.30 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 3m7p n SER 312 Cb 0.96 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3m7p n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m7p n GLY 313 N 0.86 0.11 3.73 5.00 0.00 0.71 -5.07 105.19 110.53 3m7p n GLY 313 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3m7p n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m7p s VAL 314 N -2.03 3.29 -0.33 1.61 1.01 -1.26 -4.70 120.40 117.99 3m7p s VAL 314 Ca 0.00 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 3m7p s VAL 314 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3m7p s VAL 314 CO 0.00 0.11 0.19 -0.69 0.00 0.00 0.00 175.10 174.72 3m7p s VAL 315 N 0.61 4.89 0.13 2.92 1.01 -1.26 -1.03 120.40 127.67 3m7p s VAL 315 Ca 0.60 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3m7p s VAL 315 Cb -0.36 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3m7p s VAL 315 CO 0.34 0.01 0.06 -0.31 0.00 0.00 0.00 175.10 175.20 3m7p s TYR 316 N 1.65 3.05 0.37 5.22 1.51 -0.33 -4.83 117.35 123.99 3m7p s TYR 316 Ca 0.05 -0.03 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 3m7p s TYR 316 Cb -0.17 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3m7p s TYR 316 CO 0.08 0.51 0.67 -1.12 -1.11 0.00 0.00 175.55 174.58 3m7p s SER 317 N -2.75 6.41 0.13 2.29 0.01 -1.26 -0.44 113.70 118.08 3m7p s SER 317 Ca 0.29 0.85 -0.31 0.00 1.31 0.00 0.00 55.95 58.08 3m7p s SER 317 Cb -0.11 -2.20 -0.11 0.00 0.21 0.00 0.00 66.02 63.82 3m7p s SER 317 CO 0.21 -0.35 1.85 -0.69 0.41 0.00 0.00 173.24 174.66 3m7p s VAL 318 N -2.34 2.48 0.00 3.43 1.01 -1.03 -2.07 120.40 121.88 3m7p s VAL 318 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3m7p s VAL 318 Cb -0.10 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3m7p s VAL 318 CO 0.34 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3m7p n GLY 319 N 4.26 1.68 3.82 4.51 0.00 0.58 -4.76 105.19 115.29 3m7p n GLY 319 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3m7p n GLY 319 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m7p s MET 320 N -0.65 3.96 0.06 1.61 1.00 -0.88 -4.79 119.30 119.61 3m7p s MET 320 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 55.69 56.85 3m7p s MET 320 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 34.83 32.67 3m7p s MET 320 CO 0.00 -0.27 -0.14 -0.65 0.00 0.00 0.00 175.02 173.97 3m7p s GLN 321 N -3.60 0.82 0.20 2.03 -0.21 -1.26 -1.52 119.66 116.12 3m7p s GLN 321 Ca 0.62 -0.88 -0.13 0.00 0.02 0.00 0.00 55.36 54.99 3m7p s GLN 321 Cb -0.11 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.09 3m7p s GLN 321 CO 0.23 0.19 0.44 1.67 -2.12 0.00 0.00 175.29 175.70 3m7p s TRP 322 N -1.15 0.19 -0.23 0.91 -2.14 -0.72 -0.48 118.94 115.32 3m7p s TRP 322 Ca -0.01 -0.54 -0.08 0.00 2.66 0.00 0.00 56.10 58.12 3m7p s TRP 322 Cb -0.09 0.20 -0.04 0.00 -3.10 0.00 0.00 33.47 30.43 3m7p s TRP 322 CO 0.02 -0.88 0.10 -0.51 -2.66 0.00 0.00 176.95 173.01 3m7p s LEU 323 N -2.95 3.76 -0.39 -4.66 1.02 -1.26 -1.54 118.68 112.67 3m7p s LEU 323 Ca 0.16 -0.03 -0.14 0.00 0.02 0.00 0.00 54.13 54.13 3m7p s LEU 323 Cb 0.00 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.23 3m7p s LEU 323 CO 0.02 0.05 0.28 -0.75 0.02 0.00 0.00 176.35 175.97 3m7p s LYS 324 N 1.12 3.14 -0.18 1.70 2.20 -0.55 -4.96 119.74 122.21 3m7p s LYS 324 Ca 0.05 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 3m7p s LYS 324 Cb -0.14 -3.92 -0.00 0.00 -1.51 0.00 0.00 37.83 32.25 3m7p s LYS 324 CO 0.04 -0.65 -0.12 0.99 -0.36 0.00 0.00 175.35 175.25 3m7p s THR 325 N 1.69 2.88 -0.39 3.43 2.01 -1.26 -0.01 115.64 123.99 3m7p s THR 325 Ca 0.05 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.39 3m7p s THR 325 Cb -0.18 -2.25 0.11 0.00 0.01 0.00 0.00 72.50 70.18 3m7p s THR 325 CO 0.10 0.49 0.14 -1.10 -0.69 0.00 0.00 174.62 173.56 3m7p s GLN 326 N 1.05 1.74 3.22 4.92 -0.21 0.34 -4.98 119.66 125.74 3m7p s GLN 326 Ca -0.01 -1.98 0.00 0.00 0.02 0.00 0.00 55.36 53.40 3m7p s GLN 326 Cb -0.15 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.50 3m7p s GLN 326 CO -0.02 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 3m7p n GLY 327 N 4.19 1.07 0.00 3.09 0.00 -1.26 -0.77 105.19 111.51 3m7p n GLY 327 Ca 0.02 0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.42 3m7p n GLY 327 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m7p n ASN 328 N 6.29 0.75 -4.75 1.61 0.23 -1.26 -4.96 115.26 113.17 3m7p n ASN 328 Ca 0.00 -0.52 -0.40 0.00 -0.53 0.00 0.00 54.58 53.13 3m7p n ASN 328 Cb 0.00 1.03 -0.05 0.00 -2.08 0.00 0.00 39.78 38.68 3m7p n ASN 328 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3m7p s LYS 329 N -1.56 4.73 -0.04 -3.83 3.01 0.05 -4.95 119.74 117.15 3m7p s LYS 329 Ca 0.01 1.66 0.03 0.00 -1.01 0.00 0.00 55.97 56.66 3m7p s LYS 329 Cb 0.03 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 3m7p s LYS 329 CO 0.19 0.32 -0.13 -1.14 0.51 0.00 0.00 175.35 175.10 3m7p s GLN 330 N -1.17 1.39 0.07 1.68 0.74 -1.26 -0.50 119.66 120.60 3m7p s GLN 330 Ca 0.44 -0.46 0.09 0.00 0.05 0.00 0.00 55.36 55.48 3m7p s GLN 330 Cb -0.29 -1.24 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 3m7p s GLN 330 CO 0.36 0.18 -0.25 -1.64 -0.55 0.00 0.00 175.29 173.39 3m7p s MET 331 N 0.13 1.56 -0.35 1.67 -1.94 0.98 -4.15 119.30 117.19 3m7p s MET 331 Ca -0.04 -1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 52.72 3m7p s MET 331 Cb -0.10 -1.81 0.03 0.00 2.01 0.00 0.00 34.83 34.96 3m7p s MET 331 CO 0.01 0.45 0.16 -1.17 -0.01 0.00 0.00 175.02 174.47 3m7p s LEU 332 N -1.47 4.50 -0.13 -0.03 0.20 -0.21 -1.49 118.68 120.05 3m7p s LEU 332 Ca 0.11 -1.03 -0.07 0.00 0.69 0.00 0.00 54.13 53.83 3m7p s LEU 332 Cb -0.10 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 3m7p s LEU 332 CO 0.03 -0.35 0.13 0.00 -0.29 0.00 0.00 176.35 175.87 3m7p s THR 334 N -0.83 1.63 -0.66 0.00 2.01 0.93 -1.76 115.64 116.96 3m7p s THR 334 Ca 0.14 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 3m7p s THR 334 Cb -0.12 -1.36 0.12 0.00 0.01 0.00 0.00 72.50 71.15 3m7p s THR 334 CO 0.03 0.46 0.76 0.00 -0.69 0.00 0.00 174.62 175.19 3m7p s LEU 336 N 2.44 3.42 0.35 0.00 2.01 -0.24 -0.30 118.68 126.35 3m7p s LEU 336 Ca 0.15 0.33 0.09 0.00 0.01 0.00 0.00 54.13 54.70 3m7p s LEU 336 Cb -0.20 -3.18 0.81 0.00 0.01 0.00 0.00 46.19 43.62 3m7p s LEU 336 CO 0.03 -0.94 1.86 1.23 1.01 0.00 0.00 176.35 179.54 3m7p h GLY 337 N 0.13 1.25 -0.84 -3.19 0.00 -1.96 -2.17 103.07 96.30 3m7p h GLY 337 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3m7p h GLY 337 CO 0.57 0.08 0.00 1.16 0.00 0.00 0.00 176.54 178.35 3m7p n ASN 338 N -4.57 1.86 0.00 0.19 6.94 -1.26 -4.94 115.26 113.48 3m7p n ASN 338 Ca 0.18 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3m7p n ASN 338 Cb 0.48 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 3m7p n ASN 338 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3m7p n GLY 339 N 1.21 0.87 3.67 4.83 0.00 -0.82 -5.09 105.19 109.87 3m7p n GLY 339 Ca 0.18 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 3m7p n GLY 339 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m7p s VAL 340 N -2.14 5.02 -0.21 1.61 1.01 -1.26 -1.08 120.40 123.34 3m7p s VAL 340 Ca 0.00 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 3m7p s VAL 340 Cb 0.00 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3m7p s VAL 340 CO 0.00 0.13 -0.12 -0.55 0.00 0.00 0.00 175.10 174.56 3m7p s SER 341 N 1.10 3.78 -0.01 3.32 0.15 -0.30 -4.95 113.70 116.80 3m7p s SER 341 Ca 0.31 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3m7p s SER 341 Cb -0.16 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 3m7p s SER 341 CO 0.12 -0.05 -0.00 0.00 1.20 0.00 0.00 173.24 174.50 3m7p s GLN 343 N -1.48 2.04 0.12 0.00 -2.07 -0.69 -4.98 119.66 112.61 3m7p s GLN 343 Ca 0.19 -1.38 -0.35 0.00 -1.82 0.00 0.00 55.36 52.00 3m7p s GLN 343 Cb -0.11 0.58 -0.15 0.00 -1.09 0.00 0.00 33.01 32.24 3m7p s GLN 343 CO 0.09 -0.93 1.49 0.39 -1.32 0.00 0.00 175.29 175.01 3m7p n GLU 344 N -0.51 1.74 -1.56 9.60 1.02 -1.26 -1.05 120.64 128.63 3m7p n GLU 344 Ca -0.05 0.63 -0.38 0.00 -0.02 0.00 0.00 57.16 57.33 3m7p n GLU 344 Cb 0.60 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 3m7p n GLU 344 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3m7p n THR 345 N 3.08 0.02 -3.62 2.62 -1.04 -1.26 -4.63 114.28 109.45 3m7p n THR 345 Ca 0.18 -0.68 -0.36 0.00 -2.04 0.00 0.00 64.05 61.14 3m7p n THR 345 Cb 0.25 -2.64 -0.07 0.00 -1.82 0.00 0.00 70.33 66.05 3m7p n THR 345 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m7p s ALA 346 N 11.09 3.66 -0.16 2.41 0.00 -1.26 -1.57 121.76 135.94 3m7p s ALA 346 Ca 1.01 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3m7p s ALA 346 Cb -0.27 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3m7p s ALA 346 CO 0.30 0.19 -0.21 0.08 0.00 0.00 0.00 175.76 176.12 3m7p s VAL 347 N 0.19 2.10 0.00 0.00 1.01 0.53 -4.91 120.40 119.32 3m7p s VAL 347 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3m7p s VAL 347 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3m7p s VAL 347 CO 0.03 0.54 0.00 0.35 0.00 0.00 0.00 175.10 176.02 3m7p n THR 348 N 4.28 0.00 -2.96 3.92 -2.24 -1.26 0.56 114.28 116.58 3m7p n THR 348 Ca -0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3m7p n THR 348 Cb 0.51 -1.23 0.04 0.00 -2.10 0.00 0.00 70.33 67.56 3m7p n THR 348 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m7p n GLN 349 N -0.62 -3.99 -2.94 -0.78 1.13 -1.26 -4.04 117.38 104.87 3m7p n GLN 349 Ca 0.00 0.45 -0.18 0.00 -1.94 0.00 0.00 57.00 55.32 3m7p n GLN 349 Cb 0.00 -4.31 0.04 0.00 0.11 0.00 0.00 30.24 26.08 3m7p n GLN 349 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3m7p n THR 350 N -3.39 0.00 -3.54 5.09 -2.24 -1.26 -3.71 114.28 105.23 3m7p n THR 350 Ca -0.06 -1.70 -0.08 0.00 -2.27 0.00 0.00 64.05 59.95 3m7p n THR 350 Cb 0.55 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3m7p n THR 350 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3m7p s TYR 351 N -2.12 -0.32 0.00 4.78 -0.85 -0.82 -4.95 117.35 113.06 3m7p s TYR 351 Ca 0.42 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 3m7p s TYR 351 Cb -0.03 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.86 3m7p s TYR 351 CO 0.27 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 3m7p n GLY 352 N -0.29 0.82 0.47 5.49 0.00 -1.26 -0.15 105.19 110.27 3m7p n GLY 352 Ca -0.09 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.15 3m7p n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m7p n GLY 353 N 0.00 -2.67 0.00 -0.02 0.00 -1.26 -2.47 105.19 98.77 3m7p n GLY 353 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.69 3m7p n GLY 353 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m7p n ASN 354 N -2.86 0.00 -1.22 1.61 0.23 -1.19 -3.10 115.26 108.73 3m7p n ASN 354 Ca -0.03 0.20 0.09 0.00 -0.53 0.00 0.00 54.58 54.31 3m7p n ASN 354 Cb 0.22 -0.23 0.29 0.00 -2.08 0.00 0.00 39.78 37.98 3m7p n ASN 354 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3m7p n SER 355 N -1.23 3.97 -1.31 0.53 3.41 -1.14 -4.89 113.62 112.96 3m7p n SER 355 Ca 0.01 -2.22 -0.13 0.00 -0.26 0.00 0.00 58.87 56.27 3m7p n SER 355 Cb 0.01 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3m7p n SER 355 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3m7p n ASN 356 N 1.04 -4.37 -2.02 4.04 5.03 -1.18 -3.07 115.26 114.74 3m7p n ASN 356 Ca 0.22 0.14 -0.11 0.00 0.87 0.00 0.00 54.58 55.70 3m7p n ASN 356 Cb 0.68 -3.33 0.04 0.00 -1.02 0.00 0.00 39.78 36.16 3m7p n ASN 356 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m7p n GLY 357 N -1.15 0.20 3.80 7.41 0.00 -1.03 -4.87 105.19 109.54 3m7p n GLY 357 Ca -0.15 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3m7p n GLY 357 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m7p s GLU 358 N -5.45 2.80 0.91 1.61 2.02 -1.17 -4.62 118.70 114.79 3m7p s GLU 358 Ca 0.23 1.11 -0.11 0.00 0.02 0.00 0.00 54.97 56.22 3m7p s GLU 358 Cb -0.10 -1.97 0.13 0.00 0.10 0.00 0.00 34.13 32.30 3m7p s GLU 358 CO 0.35 -1.22 1.09 -1.25 0.02 0.00 0.00 175.26 174.25 3m7p s PRO 359 N -4.71 1.17 0.46 0.39 0.04 -1.26 -4.69 135.00 126.40 3m7p s PRO 359 Ca 0.61 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 3m7p s PRO 359 Cb -0.16 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 3m7p s PRO 359 CO 0.50 -2.33 0.97 0.00 0.04 0.00 0.00 177.00 176.18 3m7p s VAL 361 N -2.27 4.26 -0.19 0.00 1.01 -0.48 -0.34 120.40 122.38 3m7p s VAL 361 Ca 0.62 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 3m7p s VAL 361 Cb -0.10 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3m7p s VAL 361 CO 0.19 -0.12 -0.15 -0.76 0.00 0.00 0.00 175.10 174.25 3m7p s LEU 362 N 1.51 2.37 0.92 3.92 1.43 -0.61 -3.42 118.68 124.80 3m7p s LEU 362 Ca 0.01 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3m7p s LEU 362 Cb -0.19 -1.56 0.14 0.00 0.03 0.00 0.00 46.19 44.62 3m7p s LEU 362 CO 0.05 -0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 3m7p s PRO 363 N 1.34 1.08 0.07 1.29 0.04 -1.26 -4.51 135.00 133.05 3m7p s PRO 363 Ca 0.05 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 3m7p s PRO 363 Cb -0.13 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3m7p s PRO 363 CO -0.10 -2.28 0.01 -0.59 0.04 0.00 0.00 177.00 174.09 3m7p s PHE 364 N -3.12 0.55 -0.07 0.56 -0.12 -0.68 -4.80 117.98 110.30 3m7p s PHE 364 Ca 0.64 -1.05 -0.00 0.00 -0.05 0.00 0.00 56.93 56.46 3m7p s PHE 364 Cb -0.16 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.82 3m7p s PHE 364 CO 0.55 -0.43 -0.03 0.99 -0.05 0.00 0.00 175.22 176.26 3m7p s THR 365 N -3.94 4.04 -0.27 -4.49 2.01 -0.28 -0.56 115.64 112.15 3m7p s THR 365 Ca 0.10 -0.38 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 3m7p s THR 365 Cb 0.08 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.97 3m7p s THR 365 CO -0.08 0.58 0.67 -0.47 -0.69 0.00 0.00 174.62 174.63 3m7p s TYR 366 N -0.87 -0.95 -1.44 4.92 5.04 -0.42 -2.14 117.35 121.50 3m7p s TYR 366 Ca 0.13 1.99 -0.08 0.00 -2.44 0.00 0.00 57.07 56.67 3m7p s TYR 366 Cb -0.11 0.51 0.05 0.00 0.35 0.00 0.00 41.96 42.75 3m7p s TYR 366 CO 0.03 -0.47 0.66 -1.71 -1.34 0.00 0.00 175.55 172.72 3m7p n ASN 367 N 3.89 -5.01 0.00 4.32 4.05 -1.26 -1.47 115.26 119.79 3m7p n ASN 367 Ca -0.19 -0.43 0.00 0.00 0.45 0.00 0.00 54.58 54.42 3m7p n ASN 367 Cb 0.58 -4.06 0.00 0.00 1.23 0.00 0.00 39.78 37.53 3m7p n ASN 367 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3m7p n GLY 368 N -1.45 1.13 3.70 8.20 0.00 -1.26 -5.03 105.19 110.48 3m7p n GLY 368 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3m7p n GLY 368 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m7p s ARG 369 N -0.13 2.18 -0.09 1.61 0.52 -0.54 -5.00 118.95 117.49 3m7p s ARG 369 Ca 0.00 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.42 3m7p s ARG 369 Cb 0.00 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 3m7p s ARG 369 CO 0.00 -0.03 -0.17 0.99 0.02 0.00 0.00 175.30 176.11 3m7p s THR 370 N -2.57 2.76 -0.14 0.02 2.01 -1.26 -1.30 115.64 115.15 3m7p s THR 370 Ca 0.39 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3m7p s THR 370 Cb 0.03 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.44 3m7p s THR 370 CO 0.21 0.55 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.14 3m7p s PHE 371 N -0.04 2.70 -1.03 4.92 0.08 0.28 -4.97 117.98 119.91 3m7p s PHE 371 Ca -0.04 -1.27 0.24 0.00 0.12 0.00 0.00 56.93 55.97 3m7p s PHE 371 Cb -0.14 -1.84 0.24 0.00 -0.57 0.00 0.00 43.02 40.71 3m7p s PHE 371 CO 0.04 -0.58 1.23 0.66 -0.10 0.00 0.00 175.22 176.47 3m7p n TYR 372 N 4.08 0.00 -4.18 0.36 4.01 -1.26 -1.69 117.16 118.47 3m7p n TYR 372 Ca -0.20 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.41 3m7p n TYR 372 Cb 0.52 -0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.31 3m7p n TYR 372 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3m7p s SER 373 N -2.98 0.51 0.68 7.72 0.01 -1.26 -4.69 113.70 113.70 3m7p s SER 373 Ca 0.10 -1.42 -0.16 0.00 1.31 0.00 0.00 55.95 55.78 3m7p s SER 373 Cb 0.17 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.88 3m7p s SER 373 CO 0.75 -0.97 1.19 0.00 0.41 0.00 0.00 173.24 174.63 3m7p s THR 375 N -1.95 0.86 -1.17 0.00 -1.32 -0.02 -4.86 115.64 107.17 3m7p s THR 375 Ca 0.74 -2.01 0.12 0.00 -1.21 0.00 0.00 61.69 59.33 3m7p s THR 375 Cb -0.28 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.51 3m7p s THR 375 CO 0.41 -0.41 0.74 0.35 -2.21 0.00 0.00 174.62 173.49 3m7p n THR 376 N -0.32 0.00 -1.67 5.08 -2.24 -1.26 -0.25 114.28 113.62 3m7p n THR 376 Ca -0.06 -0.38 -0.52 0.00 -2.27 0.00 0.00 64.05 60.81 3m7p n THR 376 Cb 0.63 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.96 3m7p n THR 376 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3m7p n GLU 377 N -0.11 1.57 0.00 -0.78 4.07 -1.26 -1.06 120.64 123.07 3m7p n GLU 377 Ca 0.05 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 3m7p n GLU 377 Cb 0.26 -2.30 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 3m7p n GLU 377 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3m7p n GLY 378 N 3.76 1.84 3.74 8.31 0.00 -1.26 -5.06 105.19 116.52 3m7p n GLY 378 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3m7p n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m7p s ARG 379 N -0.84 3.58 0.00 1.61 0.52 -0.22 -5.00 118.95 118.60 3m7p s ARG 379 Ca 0.00 -0.27 0.27 0.00 -0.52 0.00 0.00 55.73 55.21 3m7p s ARG 379 Cb 0.00 -3.13 0.80 0.00 0.52 0.00 0.00 34.95 33.14 3m7p s ARG 379 CO 0.00 0.55 1.62 1.04 0.02 0.00 0.00 175.30 178.53 3m7p n GLN 380 N 2.66 0.05 0.00 3.54 1.13 -1.26 -4.11 117.38 119.39 3m7p n GLN 380 Ca -0.18 -0.02 0.11 0.00 -1.94 0.00 0.00 57.00 54.97 3m7p n GLN 380 Cb 0.53 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.43 3m7p n GLN 380 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3m7p n ASP 381 N -1.46 2.39 -0.02 1.08 5.68 -1.26 -4.99 116.55 117.98 3m7p n ASP 381 Ca 0.07 -1.70 -0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3m7p n ASP 381 Cb 0.33 0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 40.61 3m7p n ASP 381 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m7p n GLY 382 N 1.39 0.33 3.72 6.12 0.00 -1.26 -5.01 105.19 110.48 3m7p n GLY 382 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3m7p n GLY 382 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m7p s HIS 383 N -1.63 3.68 -0.03 1.61 3.76 -1.26 -4.92 115.29 116.50 3m7p s HIS 383 Ca 0.00 1.64 -0.30 0.00 -0.15 0.00 0.00 55.06 56.25 3m7p s HIS 383 Cb 0.00 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 3m7p s HIS 383 CO 0.00 0.07 1.24 -0.51 -0.85 0.00 0.00 174.74 174.69 3m7p s LEU 384 N 0.69 4.30 0.23 0.89 1.43 -1.26 -4.40 118.68 120.56 3m7p s LEU 384 Ca 0.48 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 3m7p s LEU 384 Cb -0.21 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 3m7p s LEU 384 CO 0.27 -0.59 0.01 -1.66 0.23 0.00 0.00 176.35 174.60 3m7p s TRP 385 N 2.10 1.56 0.03 0.29 1.48 0.65 -0.88 118.94 124.17 3m7p s TRP 385 Ca 0.58 -0.95 -0.14 0.00 -1.06 0.00 0.00 56.10 54.53 3m7p s TRP 385 Cb -0.27 -0.91 0.02 0.00 -1.16 0.00 0.00 33.47 31.15 3m7p s TRP 385 CO 0.24 -0.07 0.30 0.00 -4.06 0.00 0.00 176.95 173.36 3m7p s SER 387 N -1.89 7.50 0.00 0.00 0.15 -1.26 -1.75 113.70 116.45 3m7p s SER 387 Ca -0.07 1.80 0.27 0.00 0.70 0.00 0.00 55.95 58.66 3m7p s SER 387 Cb -0.02 -2.56 0.96 0.00 -1.71 0.00 0.00 66.02 62.69 3m7p s SER 387 CO -0.02 0.16 1.70 0.35 1.20 0.00 0.00 173.24 176.63 3m7p n THR 388 N 1.43 0.00 -4.40 6.45 -2.24 -0.33 -1.39 114.28 113.81 3m7p n THR 388 Ca -0.03 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 3m7p n THR 388 Cb 0.48 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 3m7p n THR 388 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3m7p s THR 389 N -2.59 1.40 0.33 4.28 -4.23 -1.26 -4.40 115.64 109.16 3m7p s THR 389 Ca 0.24 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 3m7p s THR 389 Cb 0.19 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.68 3m7p s THR 389 CO 0.53 -0.28 1.79 0.77 -0.54 0.00 0.00 174.62 176.88 3m7p h SER 390 N 2.33 0.30 -3.73 3.99 4.64 -1.87 -3.41 113.55 115.79 3m7p h SER 390 Ca -0.39 -0.09 -0.68 0.00 -0.47 0.00 0.00 61.79 60.15 3m7p h SER 390 Cb 1.23 -0.08 -0.34 0.00 -0.31 0.00 0.00 62.40 62.90 3m7p h SER 390 CO 0.67 0.56 -0.69 0.21 -0.87 0.00 0.00 176.83 176.71 3m7p s ASN 391 N -6.86 4.89 -0.01 4.97 3.84 -1.26 -1.13 114.94 119.39 3m7p s ASN 391 Ca -0.05 -1.46 -0.24 0.00 0.21 0.00 0.00 52.86 51.31 3m7p s ASN 391 Cb 0.14 -1.71 -0.19 0.00 -0.55 0.00 0.00 41.25 38.95 3m7p s ASN 391 CO 0.76 -0.30 1.27 0.22 -2.79 0.00 0.00 177.10 176.25 3m7p h TYR 392 N 7.95 0.15 -0.91 0.43 3.20 -1.66 -1.95 116.97 124.19 3m7p h TYR 392 Ca -0.18 -0.05 0.18 0.00 3.14 0.00 0.00 58.73 61.82 3m7p h TYR 392 Cb 1.05 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 3m7p h TYR 392 CO 0.60 0.61 0.59 0.93 -1.64 0.00 0.00 178.16 179.25 3m7p h GLU 393 N -0.35 0.51 0.05 1.82 3.07 -1.95 0.49 114.58 118.22 3m7p h GLU 393 Ca 0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3m7p h GLU 393 Cb 0.59 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3m7p h GLU 393 CO 0.01 0.34 -0.03 0.37 -1.40 0.00 0.00 179.01 178.31 3m7p h GLN 394 N 0.53 -0.07 0.00 2.33 4.15 -1.95 -3.40 115.11 116.69 3m7p h GLN 394 Ca 0.48 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.78 3m7p h GLN 394 Cb 1.01 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 3m7p h GLN 394 CO -0.21 -0.05 -0.57 -0.44 -1.93 0.00 0.00 178.83 175.64 3m7p h ASP 395 N -0.30 0.00 -2.23 -0.69 3.32 -1.26 -3.48 116.42 111.78 3m7p h ASP 395 Ca -0.01 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 3m7p h ASP 395 Cb 0.05 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 3m7p h ASP 395 CO 0.01 0.57 -0.38 0.00 -1.72 0.00 0.00 179.24 177.72 3m7p n GLN 396 N -3.37 -1.64 -4.03 3.56 1.13 0.17 -4.99 117.38 108.22 3m7p n GLN 396 Ca 0.01 0.92 -0.35 0.00 -1.94 0.00 0.00 57.00 55.64 3m7p n GLN 396 Cb 0.70 -5.40 -0.09 0.00 0.11 0.00 0.00 30.24 25.57 3m7p n GLN 396 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3m7p s LYS 397 N -4.21 3.74 0.12 -1.09 -0.14 -1.26 -4.98 119.74 111.92 3m7p s LYS 397 Ca 0.00 -0.31 -0.08 0.00 -1.36 0.00 0.00 55.97 54.22 3m7p s LYS 397 Cb 0.00 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 3m7p s LYS 397 CO 0.00 0.44 0.21 1.52 -0.76 0.00 0.00 175.35 176.76 3m7p s TYR 398 N -0.09 0.29 0.20 3.18 -0.85 -1.26 -1.18 117.35 117.64 3m7p s TYR 398 Ca 0.07 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 55.96 3m7p s TYR 398 Cb -0.12 -0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.08 3m7p s TYR 398 CO 0.01 -0.61 -0.04 -1.12 -1.52 0.00 0.00 175.55 172.28 3m7p s SER 399 N -2.91 1.81 0.17 -0.18 0.01 -0.72 -2.89 113.70 108.99 3m7p s SER 399 Ca 0.11 -1.15 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 3m7p s SER 399 Cb 0.04 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.23 3m7p s SER 399 CO -0.06 -0.45 0.39 -0.36 0.41 0.00 0.00 173.24 173.17 3m7p s PHE 400 N -3.39 3.48 0.16 2.43 0.08 0.79 -1.81 117.98 119.72 3m7p s PHE 400 Ca 0.25 0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.82 3m7p s PHE 400 Cb 0.05 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 3m7p s PHE 400 CO 0.06 0.40 0.28 0.00 -0.10 0.00 0.00 175.22 175.86 3m7p s THR 402 N -1.78 1.44 -0.55 0.00 -4.23 -1.24 -4.78 115.64 104.49 3m7p s THR 402 Ca 0.34 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.96 3m7p s THR 402 Cb -0.11 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.23 3m7p s THR 402 CO 0.28 0.00 1.31 0.47 -0.54 0.00 0.00 174.62 176.14 3m7p n ASP 403 N -1.07 0.28 -0.85 3.99 8.00 -1.26 -1.74 116.55 123.90 3m7p n ASP 403 Ca -0.10 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.13 3m7p n ASP 403 Cb 0.67 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 3m7p n ASP 403 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3m7p n HIS 404 N -1.87 0.00 -1.74 1.24 8.25 -1.26 -4.72 115.22 115.12 3m7p n HIS 404 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3m7p n HIS 404 Cb 0.05 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 3m7p n HIS 404 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3m7p n THR 405 N 1.10 3.61 -3.58 1.59 -1.04 -0.71 -4.73 114.28 110.52 3m7p n THR 405 Ca 0.13 -3.09 -0.12 0.00 -2.04 0.00 0.00 64.05 58.93 3m7p n THR 405 Cb 0.55 -2.59 -0.04 0.00 -1.82 0.00 0.00 70.33 66.43 3m7p n THR 405 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3m7p s VAL 406 N 2.85 0.04 -0.13 12.58 0.11 -1.26 -4.82 120.40 129.77 3m7p s VAL 406 Ca 0.49 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 3m7p s VAL 406 Cb 0.14 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3m7p s VAL 406 CO -0.08 -0.20 -0.17 -0.76 -3.33 0.00 0.00 175.10 170.56 3m7p s LEU 407 N -2.47 2.44 -0.40 2.54 1.43 -1.26 -4.89 118.68 116.07 3m7p s LEU 407 Ca -0.01 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3m7p s LEU 407 Cb 0.00 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.74 3m7p s LEU 407 CO -0.08 0.14 0.24 0.54 0.23 0.00 0.00 176.35 177.42 3m7p s VAL 408 N 0.51 4.60 -0.30 -1.59 0.11 -1.26 -5.04 120.40 117.42 3m7p s VAL 408 Ca -0.11 -1.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.65 3m7p s VAL 408 Cb -0.16 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.05 3m7p s VAL 408 CO 0.05 -0.34 1.02 -1.58 -3.33 0.00 0.00 175.10 170.91 3m7p s GLN 409 N 1.54 4.08 0.76 1.54 0.74 -1.26 -1.34 119.66 125.72 3m7p s GLN 409 Ca 0.02 1.04 -0.12 0.00 0.05 0.00 0.00 55.36 56.36 3m7p s GLN 409 Cb -0.21 -3.72 0.05 0.00 1.10 0.00 0.00 33.01 30.23 3m7p s GLN 409 CO 0.06 -0.81 1.11 0.95 -0.55 0.00 0.00 175.29 176.04 3m7p s THR 410 N 3.45 3.10 0.05 -0.34 -4.23 -0.70 -4.57 115.64 112.41 3m7p s THR 410 Ca 0.43 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 3m7p s THR 410 Cb -0.13 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 3m7p s THR 410 CO 0.13 -0.47 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.55 3m7p s ARG 411 N -5.29 0.58 3.19 3.99 0.52 0.04 -4.14 118.95 117.83 3m7p s ARG 411 Ca 0.60 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3m7p s ARG 411 Cb -0.13 -0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.20 3m7p s ARG 411 CO 0.53 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 176.25 3m7p n GLY 412 N 0.95 0.72 7.00 -3.53 0.00 -1.26 -0.35 105.19 108.71 3m7p n GLY 412 Ca -0.19 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3m7p n GLY 412 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m7p n GLY 413 N 0.00 -0.04 0.10 -0.02 0.00 -1.26 -4.26 105.19 99.70 3m7p n GLY 413 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 3m7p n GLY 413 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3m7p h ASN 414 N 0.00 0.00 -0.36 1.61 2.35 -1.70 -3.42 115.58 114.06 3m7p h ASN 414 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3m7p h ASN 414 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3m7p h ASN 414 CO 0.00 0.75 0.00 -1.20 -1.65 0.00 0.00 177.43 175.33 3m7p n SER 415 N -3.33 2.40 -3.79 5.81 7.64 -1.07 -4.92 113.62 116.35 3m7p n SER 415 Ca 0.01 -2.12 -0.30 0.00 1.01 0.00 0.00 58.87 57.47 3m7p n SER 415 Cb 0.82 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 3m7p n SER 415 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3m7p n ASN 416 N 0.54 -3.71 0.00 6.43 4.13 -1.26 -1.71 115.26 119.68 3m7p n ASN 416 Ca 0.13 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.70 3m7p n ASN 416 Cb 0.43 -3.04 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 3m7p n ASN 416 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m7p n GLY 417 N -1.33 0.45 3.73 7.41 0.00 -1.26 -5.04 105.19 109.15 3m7p n GLY 417 Ca 0.04 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3m7p n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7p s ALA 418 N -2.00 2.02 0.69 4.61 0.00 -0.69 -4.12 121.76 122.27 3m7p s ALA 418 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3m7p s ALA 418 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3m7p s ALA 418 CO 0.00 -2.02 1.07 -0.51 0.00 0.00 0.00 175.76 174.30 3m7p s LEU 419 N -5.84 3.18 0.35 0.00 1.43 0.37 -1.72 118.68 116.45 3m7p s LEU 419 Ca 0.66 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 55.20 3m7p s LEU 419 Cb -0.21 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 3m7p s LEU 419 CO 0.53 -1.53 1.18 0.00 0.23 0.00 0.00 176.35 176.76 3m7p s HIS 421 N -1.29 3.09 -0.10 0.00 2.46 -0.35 -4.85 115.29 114.25 3m7p s HIS 421 Ca 0.52 -0.82 0.03 0.00 0.47 0.00 0.00 55.06 55.26 3m7p s HIS 421 Cb -0.33 -2.22 -0.01 0.00 -0.13 0.00 0.00 32.58 29.89 3m7p s HIS 421 CO 0.42 -0.51 -0.20 -0.06 -2.47 0.00 0.00 174.74 171.93 3m7p s PHE 422 N 1.53 2.64 0.45 3.88 0.08 -1.26 -2.85 117.98 122.44 3m7p s PHE 422 Ca 0.04 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 56.09 3m7p s PHE 422 Cb -0.16 -1.73 -0.10 0.00 -0.57 0.00 0.00 43.02 40.46 3m7p s PHE 422 CO 0.02 -0.27 1.00 -1.25 -0.10 0.00 0.00 175.22 174.61 3m7p s PRO 423 N 0.19 4.05 0.01 0.24 0.04 -1.26 -5.05 135.00 133.21 3m7p s PRO 423 Ca -0.12 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3m7p s PRO 423 Cb -0.16 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3m7p s PRO 423 CO 0.06 -0.20 -0.11 -0.59 0.04 0.00 0.00 177.00 176.20 3m7p s PHE 424 N -2.03 2.77 -0.24 0.56 -0.71 -0.82 -4.52 117.98 112.99 3m7p s PHE 424 Ca 0.64 -0.11 -0.15 0.00 -1.04 0.00 0.00 56.93 56.26 3m7p s PHE 424 Cb -0.14 -1.57 -0.04 0.00 -1.21 0.00 0.00 43.02 40.07 3m7p s PHE 424 CO 0.18 0.32 0.37 -1.17 -1.34 0.00 0.00 175.22 173.57 3m7p s LEU 425 N -1.34 4.08 -0.07 -1.99 1.98 0.66 -1.04 118.68 120.96 3m7p s LEU 425 Ca 0.16 0.36 -0.03 0.00 -2.89 0.00 0.00 54.13 51.72 3m7p s LEU 425 Cb -0.11 -2.44 0.04 0.00 0.66 0.00 0.00 46.19 44.34 3m7p s LEU 425 CO 0.06 -0.13 0.16 -0.47 -1.89 0.00 0.00 176.35 174.07 3m7p s TYR 426 N 1.75 -0.18 -1.51 5.38 5.04 0.48 -1.10 117.35 127.20 3m7p s TYR 426 Ca 0.16 0.53 -0.12 0.00 -2.44 0.00 0.00 57.07 55.20 3m7p s TYR 426 Cb -0.15 -0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.13 3m7p s TYR 426 CO 0.09 -0.19 0.94 0.09 -1.34 0.00 0.00 175.55 175.13 3m7p n ASN 427 N 4.42 -4.28 -1.26 4.32 3.02 -1.26 -1.29 115.26 118.92 3m7p n ASN 427 Ca -0.22 -0.80 -0.16 0.00 -0.03 0.00 0.00 54.58 53.37 3m7p n ASN 427 Cb 0.51 -3.85 -0.07 0.00 -0.61 0.00 0.00 39.78 35.77 3m7p n ASN 427 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m7p n ASN 428 N -2.86 -5.42 -4.31 6.41 2.85 -1.26 -4.99 115.26 105.68 3m7p n ASN 428 Ca -0.00 0.40 -0.31 0.00 -0.11 0.00 0.00 54.58 54.56 3m7p n ASN 428 Cb 0.54 -4.45 -0.16 0.00 1.24 0.00 0.00 39.78 36.95 3m7p n ASN 428 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3m7p s HIS 429 N -2.36 2.34 -0.30 1.20 2.46 -0.41 -5.12 115.29 113.09 3m7p s HIS 429 Ca 0.00 -0.46 -0.22 0.00 0.47 0.00 0.00 55.06 54.85 3m7p s HIS 429 Cb 0.00 -1.51 -0.00 0.00 -0.13 0.00 0.00 32.58 30.94 3m7p s HIS 429 CO 0.00 -0.05 0.72 -0.80 -2.47 0.00 0.00 174.74 172.13 3m7p s ASN 430 N -0.58 6.59 -0.23 9.88 0.01 -1.26 -0.39 114.94 128.96 3m7p s ASN 430 Ca 0.09 0.56 -0.12 0.00 -0.71 0.00 0.00 52.86 52.69 3m7p s ASN 430 Cb -0.10 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 3m7p s ASN 430 CO -0.01 -0.55 0.21 -0.31 -1.51 0.00 0.00 177.10 174.94 3m7p s TYR 431 N 2.80 3.32 -1.97 2.20 1.51 -0.20 -4.89 117.35 120.12 3m7p s TYR 431 Ca 0.29 0.31 0.22 0.00 -1.01 0.00 0.00 57.07 56.88 3m7p s TYR 431 Cb -0.14 -2.33 0.61 0.00 -0.11 0.00 0.00 41.96 39.99 3m7p s TYR 431 CO 0.12 0.04 1.52 0.25 -1.11 0.00 0.00 175.55 176.37 3m7p n THR 432 N 4.33 0.95 -3.82 -0.71 -2.24 -1.26 -1.94 114.28 109.58 3m7p n THR 432 Ca -0.13 -0.98 -0.06 0.00 -2.27 0.00 0.00 64.05 60.61 3m7p n THR 432 Cb 0.52 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3m7p n THR 432 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m7p s ASP 433 N -1.04 -0.22 0.60 3.42 -1.08 -1.26 -4.96 116.67 112.13 3m7p s ASP 433 Ca 0.47 -0.56 -0.19 0.00 -0.52 0.00 0.00 52.55 51.74 3m7p s ASP 433 Cb 0.25 0.65 -0.03 0.00 -1.46 0.00 0.00 42.92 42.33 3m7p s ASP 433 CO 0.33 -1.21 1.29 0.00 0.52 0.00 0.00 175.17 176.09 3m7p s THR 435 N -1.42 1.43 -0.11 0.00 -1.32 -0.13 -4.88 115.64 109.20 3m7p s THR 435 Ca 0.78 -2.13 0.20 0.00 -1.21 0.00 0.00 61.69 59.33 3m7p s THR 435 Cb -0.36 -1.95 -0.29 0.00 -1.51 0.00 0.00 72.50 68.39 3m7p s THR 435 CO 0.40 -0.67 0.31 -1.20 -2.21 0.00 0.00 174.62 171.25 3m7p n SER 436 N -0.29 0.05 -4.47 8.08 7.64 -1.26 -1.55 113.62 121.82 3m7p n SER 436 Ca -0.09 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 3m7p n SER 436 Cb 0.61 1.44 0.01 0.00 -1.01 0.00 0.00 64.21 65.26 3m7p n SER 436 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3m7p n GLU 437 N -2.52 0.64 -1.05 1.43 -0.58 -1.26 -2.71 120.64 114.59 3m7p n GLU 437 Ca -0.18 0.23 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 3m7p n GLU 437 Cb 0.85 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 30.16 3m7p n GLU 437 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m7p n GLY 438 N 1.73 0.41 3.00 0.62 0.00 -1.26 -5.00 105.19 104.69 3m7p n GLY 438 Ca 0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3m7p n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m7p s ARG 439 N -1.26 1.18 -0.01 1.61 0.52 -1.10 -5.05 118.95 114.83 3m7p s ARG 439 Ca 0.00 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.67 3m7p s ARG 439 Cb 0.00 -1.06 -0.21 0.00 0.52 0.00 0.00 34.95 34.20 3m7p s ARG 439 CO 0.00 0.08 1.14 -0.09 0.02 0.00 0.00 175.30 176.44 3m7p h ARG 440 N 6.63 0.28 0.00 3.54 9.65 -1.95 -3.23 114.38 129.30 3m7p h ARG 440 Ca -0.34 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 3m7p h ARG 440 Cb 1.17 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 3m7p h ARG 440 CO 0.48 0.91 0.00 -0.40 2.80 0.00 0.00 179.97 183.76 3m7p n ASP 441 N -4.45 0.00 -0.93 -3.80 3.85 -1.26 -4.90 116.55 105.06 3m7p n ASP 441 Ca -0.09 0.17 -0.12 0.00 -0.71 0.00 0.00 54.79 54.04 3m7p n ASP 441 Cb 0.50 -0.31 -0.05 0.00 -1.35 0.00 0.00 41.12 39.91 3m7p n ASP 441 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3m7p n ASN 442 N -1.31 -5.18 -4.77 -1.12 3.02 -1.22 -4.99 115.26 99.69 3m7p n ASN 442 Ca 0.05 0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 54.49 3m7p n ASN 442 Cb 0.09 -3.74 -0.01 0.00 -0.61 0.00 0.00 39.78 35.51 3m7p n ASN 442 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3m7p s MET 443 N -2.92 4.24 -0.22 3.52 -1.94 -1.26 -4.71 119.30 116.01 3m7p s MET 443 Ca 0.00 2.31 -0.22 0.00 -1.71 0.00 0.00 55.69 56.07 3m7p s MET 443 Cb 0.00 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 3m7p s MET 443 CO 0.00 -0.32 0.69 0.15 -0.01 0.00 0.00 175.02 175.52 3m7p s LYS 444 N -1.93 4.19 0.33 2.03 1.02 -1.26 -4.28 119.74 119.84 3m7p s LYS 444 Ca 0.51 0.70 0.03 0.00 0.02 0.00 0.00 55.97 57.23 3m7p s LYS 444 Cb -0.42 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.24 3m7p s LYS 444 CO 0.55 -0.35 0.13 1.67 -0.92 0.00 0.00 175.35 176.43 3m7p s TRP 445 N 2.27 1.70 0.09 3.18 1.48 -0.59 -1.97 118.94 125.09 3m7p s TRP 445 Ca 0.30 -1.26 -0.17 0.00 -1.06 0.00 0.00 56.10 53.91 3m7p s TRP 445 Cb -0.16 -1.01 0.04 0.00 -1.16 0.00 0.00 33.47 31.18 3m7p s TRP 445 CO 0.09 -0.36 0.41 0.00 -4.06 0.00 0.00 176.95 173.04 3m7p s GLY 447 N -2.43 3.09 0.00 0.00 0.00 -1.26 -2.30 107.32 104.43 3m7p s GLY 447 Ca -0.01 0.61 0.19 0.00 0.00 0.00 0.00 44.72 45.51 3m7p s GLY 447 CO -0.07 1.17 1.43 -1.30 0.00 0.00 0.00 173.10 174.33 3m7p n THR 448 N 1.43 0.55 -4.29 0.90 -2.24 0.03 -1.21 114.28 109.44 3m7p n THR 448 Ca -0.02 -0.64 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 3m7p n THR 448 Cb 0.47 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 3m7p n THR 448 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3m7p s THR 449 N -1.45 0.33 0.31 4.28 -4.23 -1.26 -4.32 115.64 109.29 3m7p s THR 449 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3m7p s THR 449 Cb 0.20 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.68 3m7p s THR 449 CO 0.27 0.00 1.91 -0.61 -0.54 0.00 0.00 174.62 175.65 3m7p h GLN 450 N 2.38 0.85 -4.46 3.99 -0.00 -1.87 -3.41 115.11 112.59 3m7p h GLN 450 Ca -0.36 -0.11 -0.64 0.00 -0.00 0.00 0.00 58.65 57.54 3m7p h GLN 450 Cb 1.25 -0.16 -0.39 0.00 0.00 0.00 0.00 27.48 28.18 3m7p h GLN 450 CO 0.55 0.67 -0.75 1.21 0.00 0.00 0.00 178.83 180.51 3m7p s ASN 451 N -6.52 4.41 0.09 -0.69 3.04 -1.26 -0.25 114.94 113.77 3m7p s ASN 451 Ca -0.10 -1.75 -0.08 0.00 0.04 0.00 0.00 52.86 50.97 3m7p s ASN 451 Cb 0.16 -1.40 -0.21 0.00 -1.54 0.00 0.00 41.25 38.27 3m7p s ASN 451 CO 0.79 -0.33 1.19 0.22 -3.04 0.00 0.00 177.10 175.93 3m7p h TYR 452 N 7.78 0.70 -0.78 0.43 5.03 -1.33 -0.39 116.97 128.42 3m7p h TYR 452 Ca -0.11 -0.44 0.12 0.00 2.58 0.00 0.00 58.73 60.88 3m7p h TYR 452 Cb 1.03 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 39.17 3m7p h TYR 452 CO 0.48 1.29 0.39 -0.44 -1.32 0.00 0.00 178.16 178.56 3m7p h ASP 453 N 0.20 0.49 0.00 -2.11 3.45 -1.82 0.13 116.42 116.75 3m7p h ASP 453 Ca -0.13 0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 3m7p h ASP 453 Cb 1.80 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.56 3m7p h ASP 453 CO 0.20 0.25 -0.36 0.00 -1.57 0.00 0.00 179.24 177.75 3m7p h ALA 454 N 1.49 0.06 0.00 3.45 0.00 -1.88 -3.40 119.26 118.98 3m7p h ALA 454 Ca 0.40 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3m7p h ALA 454 Cb 0.49 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3m7p h ALA 454 CO -0.31 0.24 -0.50 -0.44 0.00 0.00 0.00 179.25 178.24 3m7p h ASP 455 N -1.00 0.00 -2.17 0.00 3.45 -1.08 -3.41 116.42 112.22 3m7p h ASP 455 Ca -0.08 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.00 3m7p h ASP 455 Cb 0.71 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.39 3m7p h ASP 455 CO -0.05 0.47 -0.42 0.00 -1.57 0.00 0.00 179.24 177.67 3m7p n GLN 456 N -3.20 -1.62 -3.55 3.56 1.13 0.45 -4.65 117.38 109.50 3m7p n GLN 456 Ca 0.02 1.01 -0.38 0.00 -1.94 0.00 0.00 57.00 55.72 3m7p n GLN 456 Cb 0.72 -5.52 -0.09 0.00 0.11 0.00 0.00 30.24 25.46 3m7p n GLN 456 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3m7p s LYS 457 N -4.33 4.06 0.25 -1.09 -0.14 -1.26 -4.94 119.74 112.28 3m7p s LYS 457 Ca 0.00 -0.14 -0.10 0.00 -1.36 0.00 0.00 55.97 54.37 3m7p s LYS 457 Cb 0.00 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 3m7p s LYS 457 CO 0.00 -0.06 0.42 -0.59 -0.76 0.00 0.00 175.35 174.36 3m7p s PHE 458 N 1.41 0.57 0.21 3.18 -0.12 -1.26 -0.79 117.98 121.19 3m7p s PHE 458 Ca 0.11 -0.90 -0.19 0.00 -0.05 0.00 0.00 56.93 55.90 3m7p s PHE 458 Cb -0.15 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3m7p s PHE 458 CO 0.07 -0.95 0.58 0.20 -0.05 0.00 0.00 175.22 175.07 3m7p s GLY 459 N -3.07 -0.14 -0.00 1.99 0.00 -0.97 -1.72 107.32 103.40 3m7p s GLY 459 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 3m7p s GLY 459 CO 0.11 -0.17 0.32 -1.36 0.00 0.00 0.00 173.10 172.00 3m7p s PHE 460 N -3.87 3.64 -0.45 1.90 0.08 0.52 -2.08 117.98 117.72 3m7p s PHE 460 Ca 0.09 0.76 -0.22 0.00 0.12 0.00 0.00 56.93 57.68 3m7p s PHE 460 Cb -0.02 -2.12 0.03 0.00 -0.57 0.00 0.00 43.02 40.33 3m7p s PHE 460 CO -0.01 0.63 0.73 0.00 -0.10 0.00 0.00 175.22 176.46 3m7p s PRO 462 N 3.10 2.68 0.33 0.00 0.04 -1.26 -4.83 135.00 135.05 3m7p s PRO 462 Ca 0.26 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.08 3m7p s PRO 462 Cb -0.13 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 3m7p s PRO 462 CO 0.21 -0.96 1.40 1.41 0.04 0.00 0.00 177.00 179.09 3m7p s MET 463 N -5.18 4.25 0.49 4.56 1.75 -1.26 -4.96 119.30 118.96 3m7p s MET 463 Ca 0.57 2.36 -0.23 0.00 -1.25 0.00 0.00 55.69 57.13 3m7p s MET 463 Cb -0.11 -3.05 -0.07 0.00 2.84 0.00 0.00 34.83 34.45 3m7p s MET 463 CO 0.47 -0.36 1.33 0.00 -0.65 0.00 0.00 175.02 175.81 3m7p s ALA 464 N -0.84 3.00 0.23 4.11 0.00 -1.26 -5.02 121.76 121.98 3m7p s ALA 464 Ca 0.53 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.83 3m7p s ALA 464 Cb -0.43 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 3m7p s ALA 464 CO 0.54 -1.13 0.22 0.00 0.00 0.00 0.00 175.76 175.38 3m7p s ALA 465 N -1.31 3.66 0.12 0.00 0.00 -1.26 -5.13 121.76 117.83 3m7p s ALA 465 Ca 0.66 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 3m7p s ALA 465 Cb -0.39 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3m7p s ALA 465 CO 0.48 0.30 0.20 -3.38 0.00 0.00 0.00 175.76 173.36 3m7p s HIS 466 N -2.03 0.35 0.23 0.00 -3.43 -1.26 -5.02 115.29 104.13 3m7p s HIS 466 Ca 0.33 -0.75 -0.30 0.00 -0.80 0.00 0.00 55.06 53.54 3m7p s HIS 466 Cb -0.09 -0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 30.85 3m7p s HIS 466 CO 0.25 -0.60 1.27 -1.21 -2.00 0.00 0.00 174.74 172.46 3m7p s GLU 467 N -3.93 4.42 0.09 -0.38 2.02 -1.26 -4.96 118.70 114.70 3m7p s GLU 467 Ca 0.12 2.03 0.24 0.00 0.02 0.00 0.00 54.97 57.39 3m7p s GLU 467 Cb 0.05 -3.18 0.38 0.00 0.10 0.00 0.00 34.13 31.48 3m7p s GLU 467 CO -0.05 -0.17 1.33 0.39 0.02 0.00 0.00 175.26 176.78 3m7p n GLU 468 N 2.16 0.23 -4.93 1.61 -0.58 -1.26 -4.43 120.64 113.43 3m7p n GLU 468 Ca 0.04 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.52 3m7p n GLU 468 Cb 0.43 -1.64 -0.14 0.00 -0.57 0.00 0.00 31.44 29.52 3m7p n GLU 468 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3m7p s ILE 469 N -3.13 2.86 -0.24 -3.67 1.01 -1.26 -2.88 121.20 113.90 3m7p s ILE 469 Ca 0.07 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3m7p s ILE 469 Cb 0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3m7p s ILE 469 CO 0.72 0.57 0.08 0.00 0.00 0.00 0.00 174.94 176.31 3m7p s THR 471 N 1.34 4.45 0.69 0.00 2.01 -1.26 -0.45 115.64 122.41 3m7p s THR 471 Ca 0.05 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 3m7p s THR 471 Cb -0.15 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3m7p s THR 471 CO 0.04 0.43 1.08 -0.89 -0.69 0.00 0.00 174.62 174.59 3m7p s THR 472 N 0.76 3.84 0.59 -0.82 2.01 0.33 -4.01 115.64 118.34 3m7p s THR 472 Ca 0.02 0.60 0.31 0.00 0.31 0.00 0.00 61.69 62.93 3m7p s THR 472 Cb -0.14 -3.56 0.36 0.00 0.01 0.00 0.00 72.50 69.18 3m7p s THR 472 CO 0.02 -0.78 2.26 0.78 -0.69 0.00 0.00 174.62 176.21 3m7p h ASN 473 N -0.60 0.00 -0.02 3.53 -0.26 -1.97 0.10 115.58 116.36 3m7p h ASN 473 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 3m7p h ASN 473 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3m7p h ASN 473 CO 0.63 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 176.38 3m7p n GLU 474 N -3.79 1.25 -0.99 0.81 -0.58 -1.26 -4.91 120.64 111.18 3m7p n GLU 474 Ca -0.03 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 3m7p n GLU 474 Cb 0.09 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3m7p n GLU 474 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m7p n GLY 475 N 1.02 0.74 3.69 0.62 0.00 0.36 -5.02 105.19 106.59 3m7p n GLY 475 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3m7p n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m7p s VAL 476 N -2.93 4.41 -0.16 1.61 1.01 -1.26 -4.70 120.40 118.38 3m7p s VAL 476 Ca 0.00 1.72 -0.17 0.00 0.00 0.00 0.00 61.98 63.53 3m7p s VAL 476 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3m7p s VAL 476 CO 0.00 0.01 0.42 -0.04 0.00 0.00 0.00 175.10 175.49 3m7p s MET 477 N 2.08 4.26 0.19 2.72 -1.94 -1.26 -0.51 119.30 124.84 3m7p s MET 477 Ca 0.54 0.31 0.08 0.00 -1.71 0.00 0.00 55.69 54.90 3m7p s MET 477 Cb -0.23 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 3m7p s MET 477 CO 0.21 0.08 -0.16 0.71 -0.01 0.00 0.00 175.02 175.85 3m7p s TYR 478 N 0.92 1.76 0.24 -0.03 2.02 0.40 -4.97 117.35 117.68 3m7p s TYR 478 Ca 0.22 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3m7p s TYR 478 Cb -0.15 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 3m7p s TYR 478 CO 0.08 0.35 0.37 1.03 -1.57 0.00 0.00 175.55 175.82 3m7p s ARG 479 N -3.24 3.45 -0.03 -0.62 0.52 -1.26 -0.48 118.95 117.28 3m7p s ARG 479 Ca 0.19 -0.69 -0.33 0.00 -0.52 0.00 0.00 55.73 54.38 3m7p s ARG 479 Cb -0.03 -2.87 -0.11 0.00 0.52 0.00 0.00 34.95 32.46 3m7p s ARG 479 CO 0.07 0.41 1.90 -0.89 0.02 0.00 0.00 175.30 176.81 3m7p n ILE 480 N -1.36 0.62 0.00 1.52 5.41 -1.14 -1.04 119.36 123.37 3m7p n ILE 480 Ca -0.08 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3m7p n ILE 480 Cb 0.57 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 3m7p n ILE 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m7p n GLY 481 N 4.42 2.65 3.77 7.39 0.00 0.13 -5.01 105.19 118.54 3m7p n GLY 481 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3m7p n GLY 481 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m7p s ASP 482 N -1.50 6.35 0.05 1.61 1.01 -0.21 -4.76 116.67 119.21 3m7p s ASP 482 Ca 0.00 2.41 0.08 0.00 0.71 0.00 0.00 52.55 55.75 3m7p s ASP 482 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3m7p s ASP 482 CO 0.00 -0.80 -0.22 -1.10 0.21 0.00 0.00 175.17 173.26 3m7p s GLN 483 N -2.41 1.47 0.22 8.23 -0.21 -1.26 -1.40 119.66 124.31 3m7p s GLN 483 Ca 0.59 -0.99 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 3m7p s GLN 483 Cb -0.32 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.09 3m7p s GLN 483 CO 0.40 0.41 0.54 1.67 -2.12 0.00 0.00 175.29 176.19 3m7p s TRP 484 N -0.82 0.02 -0.02 0.91 -2.14 -0.87 -5.01 118.94 111.02 3m7p s TRP 484 Ca 0.08 -0.39 -0.14 0.00 2.66 0.00 0.00 56.10 58.32 3m7p s TRP 484 Cb -0.09 0.38 -0.05 0.00 -3.10 0.00 0.00 33.47 30.60 3m7p s TRP 484 CO 0.02 -0.99 0.37 -0.51 -2.66 0.00 0.00 176.95 173.18 3m7p s ASP 485 N -2.93 6.75 0.27 -2.66 -0.00 -1.26 -0.33 116.67 116.51 3m7p s ASP 485 Ca 0.13 0.89 -0.31 0.00 -0.00 0.00 0.00 52.55 53.27 3m7p s ASP 485 Cb -0.02 -2.23 -0.12 0.00 -0.00 0.00 0.00 42.92 40.56 3m7p s ASP 485 CO 0.02 0.33 1.60 1.17 -0.00 0.00 0.00 175.17 178.29 3m7p n LYS 486 N 1.90 2.64 -0.13 8.23 4.81 -0.21 -4.89 118.16 130.51 3m7p n LYS 486 Ca -0.15 0.94 -0.09 0.00 -0.87 0.00 0.00 58.31 58.15 3m7p n LYS 486 Cb 0.53 -2.72 0.06 0.00 0.02 0.00 0.00 35.03 32.92 3m7p n LYS 486 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3m7p h GLN 487 N 5.07 0.89 -3.00 1.64 5.75 -1.96 -3.40 115.11 120.09 3m7p h GLN 487 Ca -0.46 -0.34 -0.61 0.00 -0.15 0.00 0.00 58.65 57.08 3m7p h GLN 487 Cb 1.23 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.32 3m7p h GLN 487 CO 0.82 0.99 -0.72 -1.01 -2.65 0.00 0.00 178.83 176.25 3m7p s HIS 488 N -4.72 2.27 0.14 3.99 3.76 -1.26 -5.12 115.29 114.35 3m7p s HIS 488 Ca -0.10 -2.63 0.04 0.00 -0.15 0.00 0.00 55.06 52.21 3m7p s HIS 488 Cb 0.13 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 3m7p s HIS 488 CO 0.85 -0.75 0.17 0.16 -0.85 0.00 0.00 174.74 174.31 3m7p s ASP 489 N 0.01 5.75 -0.92 1.40 -4.77 -1.26 -4.92 116.67 111.95 3m7p s ASP 489 Ca 0.20 -0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.37 3m7p s ASP 489 Cb -0.19 -1.58 0.03 0.00 -1.09 0.00 0.00 42.92 40.09 3m7p s ASP 489 CO -0.04 0.08 2.73 0.23 0.70 0.00 0.00 175.17 178.88 3m7p n MET 490 N -0.25 3.46 0.00 2.11 2.81 -1.26 -4.77 117.12 119.21 3m7p n MET 490 Ca -0.08 -2.66 0.00 0.00 -1.81 0.00 0.00 57.70 53.16 3m7p n MET 490 Cb 0.54 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 3m7p n MET 490 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m7p n GLY 491 N 1.75 1.31 3.61 3.03 0.00 -1.26 -4.87 105.19 108.76 3m7p n GLY 491 Ca 0.58 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 3m7p n GLY 491 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3m7p s HIS 492 N 0.00 2.20 0.55 1.61 0.00 -1.26 -5.00 115.29 113.38 3m7p s HIS 492 Ca 0.00 0.65 -0.19 0.00 -3.00 0.00 0.00 55.06 52.52 3m7p s HIS 492 Cb 0.00 -4.16 -0.06 0.00 -4.00 0.00 0.00 32.58 24.37 3m7p s HIS 492 CO 0.00 -2.43 1.10 0.00 -1.00 0.00 0.00 174.74 172.41 3m7p s MET 493 N 5.02 3.39 0.03 -0.38 0.00 -1.26 -4.82 119.30 121.29 3m7p s MET 493 Ca 0.68 1.49 0.08 0.00 0.00 0.00 0.00 55.69 57.94 3m7p s MET 493 Cb -0.19 -2.02 -0.02 0.00 0.00 0.00 0.00 34.83 32.60 3m7p s MET 493 CO 0.31 -0.80 -0.23 -1.64 0.00 0.00 0.00 175.02 172.67 3m7p s MET 494 N -3.44 1.59 -0.20 3.16 -1.94 -1.26 -4.53 119.30 112.67 3m7p s MET 494 Ca 0.70 -0.96 -0.06 0.00 -1.71 0.00 0.00 55.69 53.66 3m7p s MET 494 Cb -0.21 -1.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 3m7p s MET 494 CO 0.28 0.44 0.03 0.50 -0.01 0.00 0.00 175.02 176.26 3m7p s ARG 495 N -1.06 3.73 0.03 2.03 3.52 -0.32 -1.05 118.95 125.83 3m7p s ARG 495 Ca 0.09 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 3m7p s ARG 495 Cb -0.09 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3m7p s ARG 495 CO 0.01 0.07 0.12 0.00 -0.81 0.00 0.00 175.30 174.70 3m7p s THR 497 N -1.34 0.13 -0.70 0.00 2.01 0.15 -2.04 115.64 113.85 3m7p s THR 497 Ca 0.28 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 3m7p s THR 497 Cb -0.12 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 72.29 3m7p s THR 497 CO 0.20 0.06 1.15 0.00 -0.69 0.00 0.00 174.62 175.33 3m7p h VAL 499 N 6.02 0.81 0.00 0.00 2.07 -1.47 0.36 116.25 124.03 3m7p h VAL 499 Ca -0.28 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.90 3m7p h VAL 499 Cb 1.06 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3m7p h VAL 499 CO 1.23 0.73 0.00 0.61 0.02 0.00 0.00 177.57 180.16 3m7p n GLY 500 N 1.81 1.32 3.78 2.17 0.00 0.49 -4.84 105.19 109.92 3m7p n GLY 500 Ca -0.30 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 3m7p n GLY 500 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m7p n ASN 501 N 3.04 -5.22 -0.66 1.61 3.02 -1.26 0.25 115.26 116.04 3m7p n ASN 501 Ca 0.00 -0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 53.78 3m7p n ASN 501 Cb 0.00 -4.15 -0.04 0.00 -0.61 0.00 0.00 39.78 34.98 3m7p n ASN 501 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m7p n GLY 502 N -1.74 0.89 0.26 7.41 0.00 -1.26 -4.76 105.19 105.99 3m7p n GLY 502 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3m7p n GLY 502 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3m7p n ARG 503 N -1.06 0.00 -3.47 1.61 0.63 -1.00 -4.16 116.66 109.22 3m7p n ARG 503 Ca -0.09 -0.51 -0.24 0.00 -0.92 0.00 0.00 57.85 56.10 3m7p n ARG 503 Cb 0.50 -0.33 0.07 0.00 0.45 0.00 0.00 32.46 33.14 3m7p n ARG 503 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m7p n GLY 504 N 0.00 -0.54 3.77 5.14 0.00 -0.87 -4.83 105.19 107.86 3m7p n GLY 504 Ca 0.00 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3m7p n GLY 504 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m7p s GLU 505 N -6.19 4.61 -0.05 1.61 2.02 0.14 -4.36 118.70 116.49 3m7p s GLU 505 Ca 0.53 1.49 0.06 0.00 0.02 0.00 0.00 54.97 57.07 3m7p s GLU 505 Cb -0.23 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3m7p s GLU 505 CO 0.65 0.27 -0.22 1.67 0.02 0.00 0.00 175.26 177.66 3m7p s TRP 506 N -1.41 2.14 -0.08 1.61 1.48 -0.29 -0.38 118.94 122.01 3m7p s TRP 506 Ca 0.48 -0.60 0.03 0.00 -1.06 0.00 0.00 56.10 54.94 3m7p s TRP 506 Cb -0.24 -1.41 -0.02 0.00 -1.16 0.00 0.00 33.47 30.64 3m7p s TRP 506 CO 0.30 -0.18 -0.16 0.99 -4.06 0.00 0.00 176.95 173.84 3m7p s THR 507 N -0.14 2.87 -0.16 0.66 2.01 -0.36 -0.95 115.64 119.57 3m7p s THR 507 Ca -0.02 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 3m7p s THR 507 Cb -0.12 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3m7p s THR 507 CO 0.03 0.56 -0.13 0.00 -0.69 0.00 0.00 174.62 174.39 3m7p s ILE 509 N 0.79 2.19 -0.09 0.00 1.01 0.37 -1.17 121.20 124.30 3m7p s ILE 509 Ca -0.05 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.60 3m7p s ILE 509 Cb -0.15 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.53 3m7p s ILE 509 CO 0.01 0.57 -0.14 0.00 0.00 0.00 0.00 174.94 175.38 3m7p s ALA 510 N -0.26 1.52 -0.18 9.38 0.00 -0.29 -1.17 121.76 130.77 3m7p s ALA 510 Ca -0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 3m7p s ALA 510 Cb -0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3m7p s ALA 510 CO 0.03 -0.03 0.05 0.71 0.00 0.00 0.00 175.76 176.52 3m7p s TYR 511 N 0.92 3.22 -0.03 0.00 1.51 -1.26 -1.97 117.35 119.73 3m7p s TYR 511 Ca -0.09 0.02 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 3m7p s TYR 511 Cb -0.15 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3m7p s TYR 511 CO 0.00 0.12 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.23 3m7p s SER 512 N 0.38 3.45 -0.01 2.29 0.01 0.48 -5.02 113.70 115.27 3m7p s SER 512 Ca 0.02 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.92 3m7p s SER 512 Cb -0.13 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.57 3m7p s SER 512 CO 0.01 0.33 0.02 0.00 0.41 0.00 0.00 173.24 174.00 3m7p s GLN 513 N -0.67 -0.01 0.00 12.44 1.03 -1.26 -1.91 119.66 129.28 3m7p s GLN 513 Ca 0.11 0.08 0.00 0.00 0.04 0.00 0.00 55.36 55.59 3m7p s GLN 513 Cb -0.10 -0.10 0.00 0.00 0.03 0.00 0.00 33.01 32.84 3m7p s GLN 513 CO -0.00 -0.07 0.73 1.28 -2.54 0.00 0.00 175.29 174.69 3m7p n LEU 514 N 3.52 1.23 0.00 2.60 7.99 -0.89 -5.01 117.00 126.44 3m7p n LEU 514 Ca -0.18 -1.23 0.00 0.00 -0.01 0.00 0.00 56.01 54.58 3m7p n LEU 514 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 3m7p n LEU 514 CO 0.24 0.31 0.00 -1.14 -1.51 0.00 0.00 177.39 175.29 3m7p n ARG 515 N -0.27 0.00 -0.11 3.23 0.00 -1.26 -4.56 116.66 113.70 3m7p n ARG 515 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 3m7p n ARG 515 Cb 0.27 -1.08 -0.11 0.00 0.00 0.00 0.00 32.46 31.53 3m7p n ARG 515 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3m7p n ASP 516 N 0.42 1.89 -4.32 6.15 5.68 -1.26 -4.79 116.55 120.32 3m7p n ASP 516 Ca 0.00 0.39 -0.29 0.00 -0.50 0.00 0.00 54.79 54.39 3m7p n ASP 516 Cb 0.00 -0.93 -0.14 0.00 -1.14 0.00 0.00 41.12 38.91 3m7p n ASP 516 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3m7p s GLN 517 N -2.40 1.65 -0.25 0.11 -1.52 -1.26 -2.22 119.66 113.77 3m7p s GLN 517 Ca -0.31 -1.08 0.02 0.00 -1.95 0.00 0.00 55.36 52.04 3m7p s GLN 517 Cb 0.08 -1.84 0.06 0.00 -0.22 0.00 0.00 33.01 31.09 3m7p s GLN 517 CO 0.58 0.47 -0.09 0.00 -0.25 0.00 0.00 175.29 176.00 3m7p s ILE 519 N 1.22 5.08 -0.19 0.00 1.01 -0.80 -1.77 121.20 125.76 3m7p s ILE 519 Ca -0.07 0.90 0.01 0.00 0.00 0.00 0.00 60.65 61.49 3m7p s ILE 519 Cb -0.19 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3m7p s ILE 519 CO -0.06 0.11 -0.19 -0.69 0.00 0.00 0.00 174.94 174.11 3m7p s VAL 520 N 2.15 2.12 -0.02 2.92 1.01 -0.07 -0.39 120.40 128.12 3m7p s VAL 520 Ca 0.22 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3m7p s VAL 520 Cb -0.16 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3m7p s VAL 520 CO 0.09 0.50 -0.22 1.51 0.00 0.00 0.00 175.10 176.98 3m7p s ASP 521 N 1.29 3.39 0.01 3.32 -4.77 -0.83 0.18 116.67 119.25 3m7p s ASP 521 Ca 0.04 -0.39 0.01 0.00 -3.30 0.00 0.00 52.55 48.91 3m7p s ASP 521 Cb -0.13 -0.50 -0.01 0.00 -1.09 0.00 0.00 42.92 41.19 3m7p s ASP 521 CO -0.12 0.32 -0.04 1.51 0.70 0.00 0.00 175.17 177.54 3m7p s ASP 522 N -0.73 0.41 -0.05 2.11 -4.77 -0.84 -1.13 116.67 111.67 3m7p s ASP 522 Ca 0.11 -0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.22 3m7p s ASP 522 Cb -0.10 -0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.72 3m7p s ASP 522 CO -0.00 -0.03 -0.15 -0.63 0.70 0.00 0.00 175.17 175.06 3m7p s ILE 523 N -0.41 1.27 -0.08 2.11 -1.09 -0.32 -0.61 121.20 122.08 3m7p s ILE 523 Ca -0.02 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 3m7p s ILE 523 Cb -0.03 -1.11 -0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3m7p s ILE 523 CO -0.00 0.38 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.02 3m7p s THR 524 N 0.22 2.74 0.23 2.92 2.01 0.89 -0.30 115.64 124.36 3m7p s THR 524 Ca -0.07 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.15 3m7p s THR 524 Cb -0.12 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 3m7p s THR 524 CO 0.02 0.56 0.05 -0.31 -0.69 0.00 0.00 174.62 174.25 3m7p s TYR 525 N -0.14 1.47 -0.13 4.92 1.51 -0.12 -1.42 117.35 123.44 3m7p s TYR 525 Ca -0.02 -1.07 -0.19 0.00 -1.01 0.00 0.00 57.07 54.78 3m7p s TYR 525 Cb -0.14 -0.86 0.05 0.00 -0.11 0.00 0.00 41.96 40.90 3m7p s TYR 525 CO 0.04 -0.23 0.49 0.54 -1.11 0.00 0.00 175.55 175.28 3m7p s ASN 526 N -3.28 -0.47 0.41 2.29 4.22 -1.15 -1.14 114.94 115.82 3m7p s ASN 526 Ca 0.32 0.78 0.03 0.00 -2.14 0.00 0.00 52.86 51.84 3m7p s ASN 526 Cb 0.07 0.81 -0.00 0.00 1.28 0.00 0.00 41.25 43.40 3m7p s ASN 526 CO 0.10 -0.29 0.60 0.68 -2.04 0.00 0.00 177.10 176.15 3m7p s VAL 527 N -0.27 3.93 0.46 3.54 -7.23 -1.26 -3.34 120.40 116.23 3m7p s VAL 527 Ca -0.04 -0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 3m7p s VAL 527 Cb -0.03 -3.42 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 3m7p s VAL 527 CO 0.03 -0.24 1.11 0.54 -0.31 0.00 0.00 175.10 176.22 3m7p s ASN 528 N -4.22 6.30 0.00 4.85 4.22 -1.26 -4.65 114.94 120.18 3m7p s ASN 528 Ca 0.48 2.15 0.00 0.00 -2.14 0.00 0.00 52.86 53.35 3m7p s ASN 528 Cb -0.10 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.84 3m7p s ASN 528 CO 0.35 -0.82 0.00 -0.90 -2.04 0.00 0.00 177.10 173.70 3m7p n ASP 529 N -0.55 0.00 0.17 3.54 3.85 -0.31 -4.99 116.55 118.26 3m7p n ASP 529 Ca 0.08 -0.08 0.02 0.00 -0.71 0.00 0.00 54.79 54.09 3m7p n ASP 529 Cb 0.50 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.55 3m7p n ASP 529 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3m7p h THR 530 N 0.08 1.22 0.00 2.12 1.35 -1.98 -3.32 112.91 112.38 3m7p h THR 530 Ca 0.00 -1.68 -0.37 0.00 -0.55 0.00 0.00 66.41 63.81 3m7p h THR 530 Cb 0.00 1.94 -0.07 0.00 -1.73 0.00 0.00 68.15 68.29 3m7p h THR 530 CO 0.00 0.46 -2.34 0.49 -0.25 0.00 0.00 175.52 173.88 3m7p n PHE 531 N -3.80 0.12 -4.46 4.73 3.01 -1.26 -4.58 117.46 111.22 3m7p n PHE 531 Ca -0.01 0.04 -0.23 0.00 1.01 0.00 0.00 57.45 58.26 3m7p n PHE 531 Cb 0.52 -1.02 -0.13 0.00 -0.01 0.00 0.00 39.48 38.83 3m7p n PHE 531 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3m7p s HIS 532 N -2.51 1.60 0.51 1.38 3.76 -1.25 -4.86 115.29 113.92 3m7p s HIS 532 Ca -0.15 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3m7p s HIS 532 Cb 0.07 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.84 3m7p s HIS 532 CO 0.78 0.09 0.73 0.15 -0.85 0.00 0.00 174.74 175.65 3m7p s LYS 533 N -1.33 2.78 0.38 1.40 1.02 -1.26 -1.16 119.74 121.57 3m7p s LYS 533 Ca 0.05 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.16 3m7p s LYS 533 Cb -0.09 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3m7p s LYS 533 CO 0.02 -0.52 1.18 1.03 -0.92 0.00 0.00 175.35 176.14 3m7p s ARG 534 N -4.68 4.14 -0.02 1.68 0.52 -1.26 -4.56 118.95 114.77 3m7p s ARG 534 Ca 0.53 1.88 -0.09 0.00 -0.52 0.00 0.00 55.73 57.53 3m7p s ARG 534 Cb -0.10 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.61 3m7p s ARG 534 CO 0.38 -0.26 0.20 -1.58 0.02 0.00 0.00 175.30 174.07 3m7p s HIS 535 N -1.36 -0.07 -0.02 -0.53 2.46 -1.21 -4.41 115.29 110.14 3m7p s HIS 535 Ca 0.55 0.11 0.00 0.00 0.47 0.00 0.00 55.06 56.20 3m7p s HIS 535 Cb -0.32 0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.17 3m7p s HIS 535 CO 0.40 -0.28 0.00 -2.00 -2.47 0.00 0.00 174.74 170.39 3m7p s GLU 536 N -1.09 0.18 -0.06 2.88 2.12 -0.88 -2.95 118.70 118.91 3m7p s GLU 536 Ca -0.12 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 3m7p s GLU 536 Cb -0.06 -0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.03 3m7p s GLU 536 CO 0.02 -0.10 0.12 -2.00 -0.54 0.00 0.00 175.26 172.77 3m7p s GLU 537 N 0.75 0.03 0.04 4.30 2.12 -0.51 -1.50 118.70 123.94 3m7p s GLU 537 Ca -0.07 0.41 0.08 0.00 0.36 0.00 0.00 54.97 55.74 3m7p s GLU 537 Cb -0.10 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.00 3m7p s GLU 537 CO -0.02 -0.23 -0.21 0.20 -0.54 0.00 0.00 175.26 174.47 3m7p s GLY 538 N 1.64 1.52 0.16 -1.50 0.00 -0.22 -0.07 107.32 108.85 3m7p s GLY 538 Ca -0.03 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 43.52 3m7p s GLY 538 CO -0.05 -1.11 -0.12 0.30 0.00 0.00 0.00 173.10 172.12 3m7p s HIS 539 N -0.89 1.39 -0.03 1.90 3.76 0.22 -1.70 115.29 119.94 3m7p s HIS 539 Ca 0.14 -0.67 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 3m7p s HIS 539 Cb -0.10 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 32.92 3m7p s HIS 539 CO 0.04 0.16 0.05 1.41 -0.85 0.00 0.00 174.74 175.55 3m7p s MET 540 N -3.51 -0.04 -0.07 1.40 1.75 0.93 -1.99 119.30 117.77 3m7p s MET 540 Ca 0.16 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 3m7p s MET 540 Cb 0.00 -0.32 -0.03 0.00 2.84 0.00 0.00 34.83 37.33 3m7p s MET 540 CO 0.02 -0.22 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.54 3m7p s LEU 541 N 1.44 2.85 -0.48 4.11 1.43 0.13 -3.88 118.68 124.28 3m7p s LEU 541 Ca -0.05 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3m7p s LEU 541 Cb -0.13 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.62 3m7p s LEU 541 CO -0.03 0.32 0.21 0.21 0.23 0.00 0.00 176.35 177.29 3m7p s ASN 542 N -0.58 4.36 -0.08 2.29 2.47 -1.26 -0.89 114.94 121.25 3m7p s ASN 542 Ca 0.08 -2.81 0.02 0.00 0.42 0.00 0.00 52.86 50.57 3m7p s ASN 542 Cb -0.11 -1.59 -0.02 0.00 -1.45 0.00 0.00 41.25 38.07 3m7p s ASN 542 CO 0.01 -0.26 -0.12 0.00 -3.72 0.00 0.00 177.10 173.01 3m7p s THR 544 N -0.34 3.59 -0.23 0.00 2.01 -0.19 -0.30 115.64 120.18 3m7p s THR 544 Ca 0.04 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.35 3m7p s THR 544 Cb -0.13 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.47 3m7p s THR 544 CO 0.02 0.35 0.70 0.00 -0.69 0.00 0.00 174.62 175.01 3m7p s TRP 553 N 0.13 0.39 -0.24 0.00 0.52 -1.26 -4.21 118.94 114.27 3m7p s TRP 553 Ca -0.02 -0.87 0.01 0.00 0.02 0.00 0.00 56.10 55.24 3m7p s TRP 553 Cb -0.04 -0.25 0.04 0.00 -1.15 0.00 0.00 33.47 32.07 3m7p s TRP 553 CO 0.02 -0.48 -0.11 0.21 0.02 0.00 0.00 176.95 176.62 3m7p s LYS 554 N -3.91 2.58 -0.03 4.98 2.36 -1.14 -5.12 119.74 119.47 3m7p s LYS 554 Ca 0.08 -1.12 -0.26 0.00 -2.55 0.00 0.00 55.97 52.12 3m7p s LYS 554 Cb 0.06 -2.86 -0.04 0.00 -1.05 0.00 0.00 37.83 33.95 3m7p s LYS 554 CO -0.09 -0.44 0.81 0.00 1.55 0.00 0.00 175.35 177.18 3m7p s ASP 556 N 0.76 6.00 0.32 0.00 -0.00 -0.38 -5.02 116.67 118.36 3m7p s ASP 556 Ca 0.43 0.13 -0.29 0.00 -0.00 0.00 0.00 52.55 52.81 3m7p s ASP 556 Cb -0.19 -2.06 -0.11 0.00 -0.00 0.00 0.00 42.92 40.55 3m7p s ASP 556 CO 0.22 0.12 1.57 -2.65 -0.00 0.00 0.00 175.17 174.43 3m7p n PRO 557 N 3.93 2.71 -3.45 8.23 -0.02 -1.26 -4.26 135.00 140.88 3m7p n PRO 557 Ca -0.16 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3m7p n PRO 557 Cb 0.52 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 3m7p n PRO 557 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3m7p s VAL 558 N -0.38 5.12 -0.27 -1.45 1.01 -0.11 -4.98 120.40 119.35 3m7p s VAL 558 Ca 0.60 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.79 3m7p s VAL 558 Cb -0.49 -3.97 0.68 0.00 0.00 0.00 0.00 36.38 32.60 3m7p s VAL 558 CO 0.54 -0.45 1.67 0.47 0.00 0.00 0.00 175.10 177.33 3m7p n ASP 559 N 5.15 4.46 -3.82 3.32 8.00 -1.26 -1.57 116.55 130.83 3m7p n ASP 559 Ca -0.12 -3.20 -0.09 0.00 0.71 0.00 0.00 54.79 52.09 3m7p n ASP 559 Cb 0.45 -0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 3m7p n ASP 559 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m7p s GLN 560 N -2.96 0.92 0.07 -1.24 -2.07 -1.26 -4.32 119.66 108.81 3m7p s GLN 560 Ca 0.51 -0.92 0.07 0.00 -1.82 0.00 0.00 55.36 53.19 3m7p s GLN 560 Cb 0.41 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.67 3m7p s GLN 560 CO 0.11 -0.31 -0.14 0.00 -1.32 0.00 0.00 175.29 173.62 3m7p s GLN 562 N -1.79 1.92 0.04 0.00 0.74 -1.26 -0.05 119.66 119.25 3m7p s GLN 562 Ca 0.18 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.49 3m7p s GLN 562 Cb -0.11 -2.35 -0.07 0.00 1.10 0.00 0.00 33.01 31.59 3m7p s GLN 562 CO 0.09 -0.43 1.47 0.34 -0.55 0.00 0.00 175.29 176.21 3m7p s ASP 563 N 1.44 6.78 0.48 6.67 2.15 -0.56 -4.92 116.67 128.69 3m7p s ASP 563 Ca -0.01 2.25 0.26 0.00 0.43 0.00 0.00 52.55 55.47 3m7p s ASP 563 Cb -0.16 -2.57 1.15 0.00 -0.30 0.00 0.00 42.92 41.04 3m7p s ASP 563 CO -0.08 -0.76 1.93 0.77 -0.17 0.00 0.00 175.17 176.86 3m7p h SER 564 N 7.80 0.00 -0.32 -0.34 4.64 -1.96 0.76 113.55 124.13 3m7p h SER 564 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3m7p h SER 564 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3m7p h SER 564 CO 0.90 0.18 0.00 -1.84 -0.87 0.00 0.00 176.83 175.21 3m7p n GLU 565 N -3.47 2.34 0.00 4.77 0.28 -1.26 -4.39 120.64 118.91 3m7p n GLU 565 Ca -0.01 -2.15 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 3m7p n GLU 565 Cb 0.35 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.76 3m7p n GLU 565 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3m7p n THR 566 N 1.33 0.00 -0.78 3.84 -2.24 -1.21 -5.04 114.28 110.19 3m7p n THR 566 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3m7p n THR 566 Cb 0.56 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3m7p n THR 566 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m7p n GLY 567 N 2.01 0.69 3.80 3.38 0.00 0.26 -5.03 105.19 110.29 3m7p n GLY 567 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3m7p n GLY 567 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m7p s THR 568 N -2.47 4.36 -0.29 2.61 2.01 -1.25 -4.78 115.64 115.83 3m7p s THR 568 Ca 0.00 1.60 -0.15 0.00 0.31 0.00 0.00 61.69 63.45 3m7p s THR 568 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3m7p s THR 568 CO 0.00 0.13 0.35 -0.36 -0.69 0.00 0.00 174.62 174.05 3m7p s PHE 569 N -1.62 3.23 0.09 4.92 0.40 -1.26 -1.50 117.98 122.23 3m7p s PHE 569 Ca 0.48 0.28 0.08 0.00 -0.60 0.00 0.00 56.93 57.18 3m7p s PHE 569 Cb -0.17 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 3m7p s PHE 569 CO 0.22 -0.27 -0.19 0.71 0.70 0.00 0.00 175.22 176.39 3m7p s TYR 570 N 2.04 2.53 0.42 0.36 1.51 0.92 -4.97 117.35 120.16 3m7p s TYR 570 Ca 0.14 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.97 3m7p s TYR 570 Cb -0.16 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3m7p s TYR 570 CO 0.11 0.33 0.59 -0.65 -1.11 0.00 0.00 175.55 174.81 3m7p s GLN 571 N -1.84 2.96 0.23 -0.62 -1.52 -1.26 -0.37 119.66 117.25 3m7p s GLN 571 Ca 0.16 -0.86 -0.31 0.00 -1.95 0.00 0.00 55.36 52.40 3m7p s GLN 571 Cb -0.10 -2.68 -0.11 0.00 -0.22 0.00 0.00 33.01 29.89 3m7p s GLN 571 CO 0.08 -0.21 1.59 0.42 -0.25 0.00 0.00 175.29 176.92 3m7p s ILE 572 N -2.41 2.29 0.00 1.08 1.01 -1.26 -2.03 121.20 119.89 3m7p s ILE 572 Ca 0.50 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3m7p s ILE 572 Cb -0.10 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3m7p s ILE 572 CO 0.34 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3m7p n GLY 573 N 2.99 0.75 3.81 6.18 0.00 -0.47 -5.04 105.19 113.41 3m7p n GLY 573 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3m7p n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m7p s ASP 574 N -2.96 6.90 0.15 1.61 1.01 -0.86 -4.93 116.67 117.60 3m7p s ASP 574 Ca 0.00 1.07 0.07 0.00 0.71 0.00 0.00 52.55 54.40 3m7p s ASP 574 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3m7p s ASP 574 CO 0.00 0.27 -0.02 -0.44 0.21 0.00 0.00 175.17 175.19 3m7p s SER 575 N -0.93 4.73 0.20 0.27 0.01 -1.26 -1.54 113.70 115.18 3m7p s SER 575 Ca 0.26 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 56.92 3m7p s SER 575 Cb -0.18 -1.00 0.05 0.00 0.21 0.00 0.00 66.02 65.10 3m7p s SER 575 CO 0.15 0.11 0.75 -1.66 0.41 0.00 0.00 173.24 173.01 3m7p s TRP 576 N -1.59 -0.28 0.13 2.43 -2.14 -1.01 -4.99 118.94 111.48 3m7p s TRP 576 Ca 0.26 -0.05 0.08 0.00 2.66 0.00 0.00 56.10 59.05 3m7p s TRP 576 Cb -0.10 0.64 -0.04 0.00 -3.10 0.00 0.00 33.47 30.87 3m7p s TRP 576 CO 0.18 -0.99 -0.20 -1.21 -2.66 0.00 0.00 176.95 172.06 3m7p s GLU 577 N -3.68 1.19 -0.06 3.25 2.02 -1.26 -0.87 118.70 119.30 3m7p s GLU 577 Ca 0.08 -1.27 -0.17 0.00 0.02 0.00 0.00 54.97 53.63 3m7p s GLU 577 Cb -0.03 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.86 3m7p s GLU 577 CO -0.01 0.30 0.38 -1.59 0.02 0.00 0.00 175.26 174.36 3m7p s LYS 578 N -2.31 0.66 -0.36 1.61 -2.85 -0.79 -4.98 119.74 110.72 3m7p s LYS 578 Ca 0.11 0.06 -0.05 0.00 -1.00 0.00 0.00 55.97 55.09 3m7p s LYS 578 Cb -0.08 0.30 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 3m7p s LYS 578 CO 0.05 -0.17 0.13 0.71 0.10 0.00 0.00 175.35 176.18 3m7p s TYR 579 N -0.90 3.37 -0.09 1.78 1.51 -1.26 0.02 117.35 121.78 3m7p s TYR 579 Ca -0.10 -1.85 0.02 0.00 -1.01 0.00 0.00 57.07 54.14 3m7p s TYR 579 Cb -0.04 -2.62 0.01 0.00 -0.11 0.00 0.00 41.96 39.20 3m7p s TYR 579 CO 0.04 -0.84 -0.15 0.14 -1.11 0.00 0.00 175.55 173.63 3m7p s VAL 580 N 1.29 1.44 -1.08 0.71 -7.23 -0.52 -4.81 120.40 110.20 3m7p s VAL 580 Ca 0.01 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 3m7p s VAL 580 Cb -0.21 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3m7p s VAL 580 CO -0.00 0.43 0.00 1.57 -0.31 0.00 0.00 175.10 176.78 3m7p n HIS 581 N 3.95 -1.38 -1.31 2.82 -0.00 -1.26 -2.20 115.22 115.85 3m7p n HIS 581 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 3m7p n HIS 581 Cb 0.52 -2.78 0.00 0.00 -0.00 0.00 0.00 29.99 27.72 3m7p n HIS 581 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3m7p n GLY 582 N -0.80 1.00 3.16 1.57 0.00 -1.26 -5.10 105.19 103.76 3m7p n GLY 582 Ca -0.15 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 3m7p n GLY 582 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m7p s VAL 583 N -2.21 -0.01 -0.06 1.61 -7.23 -0.93 -5.15 120.40 106.42 3m7p s VAL 583 Ca 0.00 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.96 3m7p s VAL 583 Cb 0.00 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 3m7p s VAL 583 CO 0.00 0.01 0.75 -0.13 -0.31 0.00 0.00 175.10 175.42 3m7p s ARG 584 N 0.45 4.45 0.06 4.82 3.00 -1.26 -1.44 118.95 129.04 3m7p s ARG 584 Ca -0.02 0.97 0.09 0.00 0.00 0.00 0.00 55.73 56.76 3m7p s ARG 584 Cb -0.04 -3.45 -0.03 0.00 0.00 0.00 0.00 34.95 31.43 3m7p s ARG 584 CO -0.02 0.04 -0.24 0.71 0.00 0.00 0.00 175.30 175.78 3m7p s TYR 585 N 0.86 2.14 -0.13 -0.53 2.02 0.10 -0.33 117.35 121.48 3m7p s TYR 585 Ca 0.40 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3m7p s TYR 585 Cb -0.18 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3m7p s TYR 585 CO 0.20 0.15 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.63 3m7p s GLN 586 N -1.38 3.38 0.22 -0.62 -0.21 0.14 -1.89 119.66 119.31 3m7p s GLN 586 Ca 0.10 -0.52 0.09 0.00 0.02 0.00 0.00 55.36 55.05 3m7p s GLN 586 Cb -0.10 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 3m7p s GLN 586 CO 0.03 0.38 -0.15 0.00 -2.12 0.00 0.00 175.29 173.43 3m7p s TYR 588 N -2.88 -0.38 -0.38 0.00 5.04 0.14 -2.42 117.35 116.46 3m7p s TYR 588 Ca 0.24 0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 55.66 3m7p s TYR 588 Cb -0.01 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.49 3m7p s TYR 588 CO 0.09 -0.26 0.21 0.00 -1.34 0.00 0.00 175.55 174.24 3m7p h TYR 590 N 8.39 0.43 0.00 0.00 -1.99 -1.16 -1.26 116.97 121.38 3m7p h TYR 590 Ca -0.24 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.17 3m7p h TYR 590 Cb 1.09 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3m7p h TYR 590 CO 0.59 1.64 0.00 0.41 -0.00 0.00 0.00 178.16 180.80 3m7p n GLY 591 N 1.80 2.15 4.28 3.88 0.00 -0.58 -4.81 105.19 111.91 3m7p n GLY 591 Ca -0.28 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3m7p n GLY 591 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m7p n ARG 592 N 0.00 -2.27 -0.61 1.61 1.85 -1.26 -0.97 116.66 115.01 3m7p n ARG 592 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3m7p n ARG 592 Cb 0.00 -4.70 0.00 0.00 -1.05 0.00 0.00 32.46 26.71 3m7p n ARG 592 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m7p n GLY 593 N -1.58 0.07 0.29 2.89 0.00 -1.25 -4.75 105.19 100.86 3m7p n GLY 593 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3m7p n GLY 593 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m7p n ILE 594 N -2.01 1.57 -2.69 -0.61 -5.35 -0.58 -0.93 119.36 108.75 3m7p n ILE 594 Ca 0.00 -2.02 -0.17 0.00 -0.27 0.00 0.00 62.75 60.29 3m7p n ILE 594 Cb 0.08 -0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3m7p n ILE 594 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m7p n GLY 595 N -1.08 -0.50 3.65 3.28 0.00 -0.61 -0.05 105.19 109.88 3m7p n GLY 595 Ca 0.14 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3m7p n GLY 595 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m7p s GLU 596 N -5.31 4.08 0.02 1.61 2.12 -0.14 -4.28 118.70 116.79 3m7p s GLU 596 Ca 0.12 2.16 0.04 0.00 0.36 0.00 0.00 54.97 57.65 3m7p s GLU 596 Cb -0.06 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 3m7p s GLU 596 CO 0.14 -0.97 -0.11 1.67 -0.54 0.00 0.00 175.26 175.45 3m7p s TRP 597 N 4.41 0.99 0.19 5.30 1.48 -0.69 -0.54 118.94 130.08 3m7p s TRP 597 Ca 0.76 -0.29 0.10 0.00 -1.06 0.00 0.00 56.10 55.61 3m7p s TRP 597 Cb -0.33 -0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 31.33 3m7p s TRP 597 CO 0.31 -0.00 -0.20 -1.01 -4.06 0.00 0.00 176.95 171.99 3m7p s HIS 598 N -0.66 2.00 0.02 1.66 3.76 -0.81 -1.06 115.29 120.20 3m7p s HIS 598 Ca 0.01 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 3m7p s HIS 598 Cb -0.06 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.64 3m7p s HIS 598 CO 0.00 0.43 -0.04 0.00 -0.85 0.00 0.00 174.74 174.28 3m7p s GLN 600 N -0.92 0.27 0.47 0.00 -0.21 -0.21 -2.07 119.66 116.98 3m7p s GLN 600 Ca -0.08 -0.48 -0.24 0.00 0.02 0.00 0.00 55.36 54.58 3m7p s GLN 600 Cb -0.06 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 33.97 3m7p s GLN 600 CO -0.00 -0.05 1.35 -2.14 -2.12 0.00 0.00 175.29 172.34 3m7p s PRO 601 N -1.19 3.61 0.12 2.91 0.02 -1.26 -0.68 135.00 138.53 3m7p s PRO 601 Ca -0.13 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 3m7p s PRO 601 Cb -0.08 -2.55 -0.10 0.00 0.02 0.00 0.00 34.50 31.79 3m7p s PRO 601 CO -0.01 -0.82 1.78 -1.17 -0.33 0.00 0.00 177.00 176.46 3m7p s LEU 602 N -2.90 4.39 0.19 -5.54 1.98 0.55 -4.70 118.68 112.65 3m7p s LEU 602 Ca 0.63 2.71 -0.05 0.00 -2.89 0.00 0.00 54.13 54.52 3m7p s LEU 602 Cb -0.40 -3.57 -0.06 0.00 0.66 0.00 0.00 46.19 42.82 3m7p s LEU 602 CO 0.50 -0.97 0.44 -1.58 -1.89 0.00 0.00 176.35 172.85 3m7p s GLN 603 N 2.60 3.65 0.00 1.98 0.74 -1.26 -4.93 119.66 122.44 3m7p s GLN 603 Ca 0.79 -0.02 0.23 0.00 0.05 0.00 0.00 55.36 56.41 3m7p s GLN 603 Cb -0.45 -2.77 0.18 0.00 1.10 0.00 0.00 33.01 31.07 3m7p s GLN 603 CO 0.35 0.39 1.22 0.25 -0.55 0.00 0.00 175.29 176.95