#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr1 s PRO 320 N 0.00 4.24 0.21 0.00 0.02 -1.26 -4.89 135.00 133.32 1mr1 s PRO 320 Ca 0.00 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.04 1mr1 s PRO 320 Cb 0.00 -3.60 0.28 0.00 0.02 0.00 0.00 34.50 31.20 1mr1 s PRO 320 CO 0.00 -0.66 1.65 1.49 -0.33 0.00 0.00 177.00 179.15 1mr1 h GLU 321 N 8.13 0.08 -6.55 5.54 4.81 -2.01 -3.40 114.58 121.18 1mr1 h GLU 321 Ca -0.40 -0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.18 1mr1 h GLU 321 Cb 1.19 -0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.31 1mr1 h GLU 321 CO 0.92 0.05 -0.86 0.71 -0.73 0.00 0.00 179.01 179.10 1mr1 s TYR 322 N -6.17 2.11 -0.42 0.92 1.51 -1.26 -1.46 117.35 112.58 1mr1 s TYR 322 Ca -0.14 -0.40 0.23 0.00 -1.01 0.00 0.00 57.07 55.76 1mr1 s TYR 322 Cb 0.19 -1.21 0.25 0.00 -0.11 0.00 0.00 41.96 41.08 1mr1 s TYR 322 CO 0.74 0.19 1.35 0.11 -1.11 0.00 0.00 175.55 176.83 1mr1 h TRP 323 N 4.42 0.00 -2.26 2.71 5.08 -1.51 -3.43 115.95 120.95 1mr1 h TRP 323 Ca -0.47 0.00 0.13 0.00 1.08 0.00 0.00 58.89 59.63 1mr1 h TRP 323 Cb 1.16 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.18 1mr1 h TRP 323 CO 0.54 0.00 0.50 0.00 -1.28 0.00 0.00 178.44 178.21 1mr1 s SER 325 N -2.57 1.98 -0.18 0.00 1.04 -0.45 -0.91 113.70 112.61 1mr1 s SER 325 Ca 0.07 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1mr1 s SER 325 Cb -0.01 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1mr1 s SER 325 CO -0.07 0.16 -0.14 -0.63 0.98 0.00 0.00 173.24 173.54 1mr1 s ILE 326 N -0.06 2.71 -0.20 -1.02 1.01 0.27 -0.41 121.20 123.49 1mr1 s ILE 326 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1mr1 s ILE 326 Cb -0.10 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1mr1 s ILE 326 CO 0.01 0.50 -0.01 0.00 0.00 0.00 0.00 174.94 175.44 1mr1 s ALA 327 N 1.06 2.99 -0.10 9.38 0.00 0.04 0.05 121.76 135.18 1mr1 s ALA 327 Ca -0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1mr1 s ALA 327 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1mr1 s ALA 327 CO -0.04 -0.18 0.17 -0.47 0.00 0.00 0.00 175.76 175.25 1mr1 s TYR 328 N 1.05 3.62 0.04 0.00 5.04 -1.26 0.37 117.35 126.21 1mr1 s TYR 328 Ca 0.02 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.26 1mr1 s TYR 328 Cb -0.14 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 1mr1 s TYR 328 CO 0.01 0.73 -0.08 -0.06 -1.34 0.00 0.00 175.55 174.81 1mr1 s PHE 329 N -1.03 0.69 -0.36 4.97 0.40 0.14 -1.74 117.98 121.04 1mr1 s PHE 329 Ca 0.16 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1mr1 s PHE 329 Cb -0.13 -0.41 0.11 0.00 0.51 0.00 0.00 43.02 43.10 1mr1 s PHE 329 CO 0.05 -0.07 0.14 -1.21 0.70 0.00 0.00 175.22 174.83 1mr1 s GLU 330 N -1.43 1.08 -0.29 0.44 2.02 -0.81 -1.49 118.70 118.22 1mr1 s GLU 330 Ca -0.08 -1.57 -0.04 0.00 0.02 0.00 0.00 54.97 53.30 1mr1 s GLU 330 Cb -0.09 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.76 1mr1 s GLU 330 CO 0.00 -1.03 0.13 -1.33 0.02 0.00 0.00 175.26 173.05 1mr1 n MET 331 N 4.28 -2.77 0.00 1.61 2.81 -1.16 -2.88 117.12 119.00 1mr1 n MET 331 Ca 0.03 2.33 0.00 0.00 -1.81 0.00 0.00 57.70 58.24 1mr1 n MET 331 Cb 0.39 -4.63 0.00 0.00 -0.71 0.00 0.00 33.22 28.28 1mr1 n MET 331 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mr1 n ASP 332 N 0.60 0.00 -4.58 7.83 5.75 -1.07 -4.82 116.55 120.25 1mr1 n ASP 332 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.42 1mr1 n ASP 332 Cb 0.18 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.73 1mr1 n ASP 332 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1mr1 s VAL 333 N -0.28 5.18 -0.26 2.12 1.01 -1.14 -5.04 120.40 121.98 1mr1 s VAL 333 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1mr1 s VAL 333 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1mr1 s VAL 333 CO 0.00 0.28 1.40 -1.58 0.00 0.00 0.00 175.10 175.21 1mr1 s GLN 334 N 1.59 3.91 0.09 2.72 0.74 -1.26 -1.93 119.66 125.51 1mr1 s GLN 334 Ca 0.07 1.43 -0.08 0.00 0.05 0.00 0.00 55.36 56.83 1mr1 s GLN 334 Cb -0.15 -3.92 -0.06 0.00 1.10 0.00 0.00 33.01 29.98 1mr1 s GLN 334 CO 0.09 -1.13 0.37 0.08 -0.55 0.00 0.00 175.29 174.15 1mr1 s VAL 335 N 4.54 5.15 0.26 1.34 1.01 -0.71 -4.95 120.40 127.05 1mr1 s VAL 335 Ca 0.61 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1mr1 s VAL 335 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1mr1 s VAL 335 CO 0.24 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1mr1 n GLY 336 N 0.69 -1.95 3.77 4.51 0.00 -1.26 -4.32 105.19 106.63 1mr1 n GLY 336 Ca -0.07 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1mr1 n GLY 336 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mr1 s GLU 337 N -2.18 3.12 0.38 1.61 8.01 -1.26 -4.90 118.70 123.48 1mr1 s GLU 337 Ca 0.00 -0.38 -0.23 0.00 0.01 0.00 0.00 54.97 54.37 1mr1 s GLU 337 Cb 0.00 -2.91 -0.14 0.00 -4.31 0.00 0.00 34.13 26.77 1mr1 s GLU 337 CO 0.00 0.69 0.40 2.41 0.01 0.00 0.00 175.26 178.78 1mr1 n THR 338 N 1.67 1.42 -4.30 3.63 -1.04 -1.26 -4.90 114.28 109.50 1mr1 n THR 338 Ca -0.16 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.01 1mr1 n THR 338 Cb 0.53 -0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 68.60 1mr1 n THR 338 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1mr1 s PHE 339 N -1.46 2.87 -0.25 -1.42 2.19 0.11 -4.92 117.98 115.11 1mr1 s PHE 339 Ca 0.62 -0.91 -0.10 0.00 0.33 0.00 0.00 56.93 56.87 1mr1 s PHE 339 Cb -0.67 -1.97 -0.05 0.00 -1.31 0.00 0.00 43.02 39.03 1mr1 s PHE 339 CO 0.59 -0.44 0.16 0.15 1.83 0.00 0.00 175.22 177.52 1mr1 s LYS 340 N 0.98 4.02 -0.45 10.12 1.02 -1.26 0.96 119.74 135.12 1mr1 s LYS 340 Ca -0.01 -0.29 -0.22 0.00 0.02 0.00 0.00 55.97 55.47 1mr1 s LYS 340 Cb -0.15 -3.55 0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1mr1 s LYS 340 CO -0.01 0.00 0.71 0.08 -0.92 0.00 0.00 175.35 175.21 1mr1 s VAL 341 N 1.22 4.74 0.19 3.17 1.01 -0.09 -4.98 120.40 125.67 1mr1 s VAL 341 Ca 0.07 0.17 -0.33 0.00 0.00 0.00 0.00 61.98 61.90 1mr1 s VAL 341 Cb -0.14 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1mr1 s VAL 341 CO 0.06 -0.69 1.48 -2.65 0.00 0.00 0.00 175.10 173.30 1mr1 n PRO 342 N 6.48 2.01 -0.34 2.72 -0.02 -1.26 -1.58 135.00 143.01 1mr1 n PRO 342 Ca -0.01 0.72 0.28 0.00 -2.02 0.00 0.00 63.50 62.47 1mr1 n PRO 342 Cb 0.48 -2.43 0.59 0.00 -0.02 0.00 0.00 33.50 32.11 1mr1 n PRO 342 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1mr1 h SER 343 N 5.03 0.31 -0.92 2.55 0.02 -1.49 0.39 113.55 119.44 1mr1 h SER 343 Ca -0.45 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1mr1 h SER 343 Cb 1.27 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 1mr1 h SER 343 CO 0.82 0.03 0.60 0.77 -1.14 0.00 0.00 176.83 177.91 1mr1 h SER 344 N 0.26 1.01 -3.62 3.07 4.64 -1.88 -3.38 113.55 113.65 1mr1 h SER 344 Ca 0.61 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 61.32 1mr1 h SER 344 Cb 1.82 -0.23 -0.11 0.00 -0.31 0.00 0.00 62.40 63.57 1mr1 h SER 344 CO -0.24 0.70 0.51 0.00 -0.87 0.00 0.00 176.83 176.93 1mr1 h PRO 346 N 8.92 0.12 -5.42 0.00 0.11 -1.79 -3.42 132.00 130.53 1mr1 h PRO 346 Ca -0.24 -0.20 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 1mr1 h PRO 346 Cb 1.08 0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1mr1 h PRO 346 CO 1.00 1.01 -0.87 0.42 -0.21 0.00 0.00 178.00 179.35 1mr1 s ILE 347 N -2.66 2.19 0.02 4.15 1.01 -1.26 0.04 121.20 124.68 1mr1 s ILE 347 Ca -0.03 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1mr1 s ILE 347 Cb 0.08 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1mr1 s ILE 347 CO 0.84 0.56 -0.19 0.54 0.00 0.00 0.00 174.94 176.69 1mr1 s VAL 348 N 0.28 1.55 -0.13 2.92 0.11 0.52 -4.82 120.40 120.83 1mr1 s VAL 348 Ca -0.16 -1.01 -0.04 0.00 -2.93 0.00 0.00 61.98 57.84 1mr1 s VAL 348 Cb -0.17 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1mr1 s VAL 348 CO 0.08 0.29 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.24 1mr1 s THR 349 N -0.65 4.22 -0.20 5.04 2.01 0.18 0.66 115.64 126.91 1mr1 s THR 349 Ca 0.07 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1mr1 s THR 349 Cb -0.08 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1mr1 s THR 349 CO 0.01 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1mr1 s VAL 350 N -0.14 1.93 0.06 3.82 1.01 0.46 0.48 120.40 128.02 1mr1 s VAL 350 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1mr1 s VAL 350 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1mr1 s VAL 350 CO 0.02 0.29 0.07 -0.90 0.00 0.00 0.00 175.10 174.59 1mr1 n ASP 351 N 4.61 -0.20 -3.22 3.32 5.68 -0.99 -0.78 116.55 124.98 1mr1 n ASP 351 Ca -0.17 -1.36 -0.33 0.00 -0.50 0.00 0.00 54.79 52.43 1mr1 n ASP 351 Cb 0.47 0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.83 1mr1 n ASP 351 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mr1 n GLY 352 N -0.11 5.84 3.69 6.12 0.00 -0.76 -0.28 105.19 119.68 1mr1 n GLY 352 Ca 0.01 -2.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.02 1mr1 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mr1 s TYR 353 N -3.83 1.95 -0.79 1.61 2.02 -1.26 -4.54 117.35 112.51 1mr1 s TYR 353 Ca 0.45 -0.97 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 1mr1 s TYR 353 Cb 0.25 -1.54 0.20 0.00 -0.40 0.00 0.00 41.96 40.46 1mr1 s TYR 353 CO -0.14 0.16 0.66 0.14 -1.57 0.00 0.00 175.55 174.81 1mr1 s VAL 354 N -2.93 4.37 0.00 0.71 -7.23 -1.26 -3.23 120.40 110.83 1mr1 s VAL 354 Ca 0.14 -3.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.01 1mr1 s VAL 354 Cb 0.03 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.22 1mr1 s VAL 354 CO 0.08 -1.00 0.00 -0.67 -0.31 0.00 0.00 175.10 173.19 1mr1 n ASP 355 N 3.03 0.00 -4.55 4.85 -0.08 -1.26 -5.11 116.55 113.42 1mr1 n ASP 355 Ca 0.15 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.06 1mr1 n ASP 355 Cb 0.39 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.82 1mr1 n ASP 355 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1mr1 s PRO 356 N 0.00 2.57 0.00 -0.67 0.04 -1.26 -4.81 135.00 130.86 1mr1 s PRO 356 Ca 0.00 0.58 0.03 0.00 0.04 0.00 0.00 61.00 61.65 1mr1 s PRO 356 Cb 0.00 -4.47 0.14 0.00 0.04 0.00 0.00 34.50 30.21 1mr1 s PRO 356 CO 0.00 -2.85 1.09 0.43 0.04 0.00 0.00 177.00 175.71 1mr1 n SER 357 N 13.15 0.00 0.00 6.66 7.64 -1.07 -4.82 113.62 135.17 1mr1 n SER 357 Ca 0.24 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1mr1 n SER 357 Cb 0.52 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1mr1 n SER 357 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mr1 n GLY 358 N -1.16 0.00 0.95 0.23 0.00 -0.94 -4.43 105.19 99.85 1mr1 n GLY 358 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1mr1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr1 n GLY 359 N -0.87 -0.02 0.00 -0.02 0.00 -1.26 -4.86 105.19 98.16 1mr1 n GLY 359 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1mr1 n GLY 359 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr1 n ASP 360 N -3.07 0.48 -3.74 1.61 5.75 -1.26 -4.70 116.55 111.63 1mr1 n ASP 360 Ca -0.03 -0.75 -0.25 0.00 -0.01 0.00 0.00 54.79 53.75 1mr1 n ASP 360 Cb 0.52 0.40 -0.17 0.00 -1.03 0.00 0.00 41.12 40.84 1mr1 n ASP 360 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1mr1 s ARG 361 N -0.40 0.56 -0.62 0.11 3.52 -1.26 -0.64 118.95 120.21 1mr1 s ARG 361 Ca 0.00 -0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.33 1mr1 s ARG 361 Cb 0.00 -1.50 0.16 0.00 -1.56 0.00 0.00 34.95 32.04 1mr1 s ARG 361 CO 0.00 -0.48 0.57 0.12 -0.81 0.00 0.00 175.30 174.71 1mr1 s PHE 362 N 1.95 3.40 -0.56 5.12 5.99 0.18 -2.20 117.98 131.85 1mr1 s PHE 362 Ca 0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 56.93 55.24 1mr1 s PHE 362 Cb -0.15 -3.80 0.06 0.00 0.00 0.00 0.00 43.02 39.14 1mr1 s PHE 362 CO -0.07 -1.01 0.77 0.00 -0.00 0.00 0.00 175.22 174.92 1mr1 h LEU 364 N 10.34 0.00 -1.44 0.00 4.07 -0.88 -3.28 115.31 124.11 1mr1 h LEU 364 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1mr1 h LEU 364 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1mr1 h LEU 364 CO 1.06 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.03 1mr1 n GLY 365 N 0.28 1.10 0.00 0.83 0.00 -1.20 -2.12 105.19 104.08 1mr1 n GLY 365 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mr1 n GLY 365 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mr1 n GLN 366 N 0.40 2.21 -1.94 1.61 -0.06 -1.24 -4.49 117.38 113.88 1mr1 n GLN 366 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.61 1mr1 n GLN 366 Cb 0.23 -0.76 0.01 0.00 -4.06 0.00 0.00 30.24 25.66 1mr1 n GLN 366 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1mr1 s LEU 367 N -2.41 4.09 0.37 1.69 1.43 -0.90 -5.04 118.68 117.91 1mr1 s LEU 367 Ca 0.00 2.72 0.08 0.00 -1.03 0.00 0.00 54.13 55.91 1mr1 s LEU 367 Cb 0.00 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 1mr1 s LEU 367 CO 0.00 -1.10 0.10 -0.44 0.23 0.00 0.00 176.35 175.14 1mr1 s SER 368 N -0.77 4.37 -0.29 2.29 0.01 -1.26 -4.99 113.70 113.05 1mr1 s SER 368 Ca 0.62 -0.98 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 1mr1 s SER 368 Cb -0.39 -0.56 0.14 0.00 0.21 0.00 0.00 66.02 65.42 1mr1 s SER 368 CO 0.49 -0.36 0.91 0.21 0.41 0.00 0.00 173.24 174.90 1mr1 s ASN 369 N -3.81 -0.65 0.28 2.44 2.47 -1.26 -4.43 114.94 109.98 1mr1 s ASN 369 Ca 0.38 0.98 0.05 0.00 0.42 0.00 0.00 52.86 54.69 1mr1 s ASN 369 Cb 0.01 1.46 0.39 0.00 -1.45 0.00 0.00 41.25 41.67 1mr1 s ASN 369 CO 0.21 -0.15 1.66 -0.37 -3.72 0.00 0.00 177.10 174.74 1mr1 h VAL 370 N 5.23 1.32 0.00 -5.21 -1.51 -2.02 -2.96 116.25 111.10 1mr1 h VAL 370 Ca -0.24 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.62 1mr1 h VAL 370 Cb 1.17 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1mr1 h VAL 370 CO 0.15 0.48 0.00 1.41 -1.23 0.00 0.00 177.57 178.38 1mr1 n HIS 371 N -4.00 0.00 -2.60 5.19 8.25 -1.26 -4.88 115.22 115.92 1mr1 n HIS 371 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1mr1 n HIS 371 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 1mr1 n HIS 371 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1mr1 s ARG 372 N -2.00 4.66 0.45 -0.41 3.52 -1.12 -5.06 118.95 118.99 1mr1 s ARG 372 Ca 0.04 1.63 0.07 0.00 -0.13 0.00 0.00 55.73 57.33 1mr1 s ARG 372 Cb 0.02 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1mr1 s ARG 372 CO 0.03 0.18 0.33 0.95 -0.81 0.00 0.00 175.30 175.98 1mr1 s THR 373 N -0.37 2.26 0.16 4.11 -4.23 -1.26 -5.01 115.64 111.29 1mr1 s THR 373 Ca 0.47 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1mr1 s THR 373 Cb -0.28 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1mr1 s THR 373 CO 0.34 0.00 1.57 1.05 -0.54 0.00 0.00 174.62 177.04 1mr1 h GLU 374 N 1.05 1.00 -0.09 3.99 4.11 -1.99 -1.44 114.58 121.20 1mr1 h GLU 374 Ca -0.40 -0.39 0.03 0.00 0.07 0.00 0.00 59.36 58.66 1mr1 h GLU 374 Cb 1.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1mr1 h GLU 374 CO 0.61 1.07 0.23 0.00 0.07 0.00 0.00 179.01 180.99 1mr1 h ALA 375 N 0.90 1.47 0.06 1.06 0.00 -2.00 -0.79 119.26 119.95 1mr1 h ALA 375 Ca 0.13 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 1mr1 h ALA 375 Cb 0.72 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1mr1 h ALA 375 CO 0.05 -0.28 -2.21 -0.89 0.00 0.00 0.00 179.25 175.93 1mr1 n ILE 376 N -3.27 1.63 -0.17 0.00 5.41 -0.85 -3.39 119.36 118.72 1mr1 n ILE 376 Ca -0.00 -0.64 -0.01 0.00 1.00 0.00 0.00 62.75 63.09 1mr1 n ILE 376 Cb 0.32 -1.49 0.07 0.00 -0.71 0.00 0.00 39.64 37.83 1mr1 n ILE 376 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1mr1 h GLU 377 N 0.03 0.18 -0.08 0.38 5.08 -0.15 -0.46 114.58 119.56 1mr1 h GLU 377 Ca -0.49 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1mr1 h GLU 377 Cb 1.99 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.15 1mr1 h GLU 377 CO 0.01 0.12 -0.21 0.00 -1.00 0.00 0.00 179.01 177.93 1mr1 h ARG 378 N 0.19 -0.28 -0.28 2.33 3.08 -1.39 -0.31 114.38 117.72 1mr1 h ARG 378 Ca 0.27 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1mr1 h ARG 378 Cb 0.39 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 1mr1 h ARG 378 CO -0.39 -0.19 -0.32 0.00 -1.07 0.00 0.00 179.97 178.00 1mr1 h ALA 379 N 0.65 -0.26 -0.85 0.04 0.00 -1.21 -0.64 119.26 116.99 1mr1 h ALA 379 Ca 0.09 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1mr1 h ALA 379 Cb 0.42 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1mr1 h ALA 379 CO -0.25 -0.76 0.47 0.00 0.00 0.00 0.00 179.25 178.71 1mr1 h ARG 380 N -0.31 0.71 0.00 0.00 3.08 -0.68 0.12 114.38 117.29 1mr1 h ARG 380 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1mr1 h ARG 380 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1mr1 h ARG 380 CO -0.45 0.47 0.00 -0.07 -1.07 0.00 0.00 179.97 178.84 1mr1 h LEU 381 N 0.73 0.00 -0.78 3.04 4.07 0.54 -1.59 115.31 121.31 1mr1 h LEU 381 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1mr1 h LEU 381 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1mr1 h LEU 381 CO -0.30 0.00 -0.55 1.41 -1.08 0.00 0.00 178.44 177.92 1mr1 n HIS 382 N -2.34 0.00 -0.10 1.13 8.25 0.43 -4.36 115.22 118.22 1mr1 n HIS 382 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1mr1 n HIS 382 Cb 0.04 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 1mr1 n HIS 382 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1mr1 h ILE 383 N 1.83 1.29 0.00 1.59 3.07 -1.20 -3.42 117.51 120.67 1mr1 h ILE 383 Ca 0.00 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 64.95 1mr1 h ILE 383 Cb 0.66 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 1mr1 h ILE 383 CO 0.00 0.47 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 1mr1 n GLY 384 N 0.14 3.84 0.00 0.16 0.00 -1.26 -1.84 105.19 106.22 1mr1 n GLY 384 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1mr1 n GLY 384 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mr1 n LYS 385 N 13.86 0.08 0.00 1.61 5.02 -1.26 -1.83 118.16 135.64 1mr1 n LYS 385 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1mr1 n LYS 385 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1mr1 n LYS 385 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mr1 n GLY 386 N -0.48 3.44 3.27 0.72 0.00 -0.77 -4.52 105.19 106.85 1mr1 n GLY 386 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1mr1 n GLY 386 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mr1 s VAL 387 N 0.00 0.54 -0.21 1.61 -7.23 0.04 -1.42 120.40 113.73 1mr1 s VAL 387 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1mr1 s VAL 387 Cb 0.00 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1mr1 s VAL 387 CO 0.00 -0.23 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.30 1mr1 s GLN 388 N -3.99 2.69 -0.06 4.82 -0.21 -0.72 -0.40 119.66 121.78 1mr1 s GLN 388 Ca 0.31 -1.04 -0.13 0.00 0.02 0.00 0.00 55.36 54.52 1mr1 s GLN 388 Cb 0.07 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 1mr1 s GLN 388 CO 0.09 -0.36 0.34 -0.51 -2.12 0.00 0.00 175.29 172.73 1mr1 s LEU 389 N 1.22 4.40 -0.02 2.90 1.43 0.21 -1.90 118.68 126.92 1mr1 s LEU 389 Ca -0.01 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1mr1 s LEU 389 Cb -0.16 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1mr1 s LEU 389 CO -0.09 0.27 -0.03 -0.70 0.23 0.00 0.00 176.35 176.02 1mr1 s GLU 390 N -0.62 0.39 -0.18 1.70 2.12 -0.29 -0.36 118.70 121.47 1mr1 s GLU 390 Ca 0.21 -0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.34 1mr1 s GLU 390 Cb -0.15 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.75 1mr1 s GLU 390 CO 0.10 -0.00 0.25 0.00 -0.54 0.00 0.00 175.26 175.07 1mr1 s LYS 392 N 0.56 1.70 2.05 0.00 1.02 -0.29 -4.87 119.74 119.91 1mr1 s LYS 392 Ca 0.14 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.14 1mr1 s LYS 392 Cb -0.13 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1mr1 s LYS 392 CO 0.03 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1mr1 n GLY 393 N -0.70 1.14 0.18 -3.33 0.00 -1.26 -0.45 105.19 100.77 1mr1 n GLY 393 Ca -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.53 1mr1 n GLY 393 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mr1 h GLU 394 N 0.00 0.00 0.00 1.61 4.81 -2.03 -3.43 114.58 115.54 1mr1 h GLU 394 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mr1 h GLU 394 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1mr1 h GLU 394 CO 0.00 0.29 0.00 0.41 -0.73 0.00 0.00 179.01 178.98 1mr1 n GLY 395 N 1.06 0.00 3.84 1.92 0.00 -0.48 -4.98 105.19 106.54 1mr1 n GLY 395 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1mr1 n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mr1 s ASP 396 N 0.00 6.65 0.01 1.61 1.11 0.40 -4.46 116.67 122.00 1mr1 s ASP 396 Ca 0.00 1.59 0.08 0.00 0.18 0.00 0.00 52.55 54.40 1mr1 s ASP 396 Cb 0.00 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 1mr1 s ASP 396 CO 0.00 -0.57 -0.25 -0.69 1.18 0.00 0.00 175.17 174.84 1mr1 s VAL 397 N -2.57 2.19 0.16 -1.27 1.01 -0.51 -1.14 120.40 118.27 1mr1 s VAL 397 Ca 0.59 -1.23 0.10 0.00 0.00 0.00 0.00 61.98 61.45 1mr1 s VAL 397 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1mr1 s VAL 397 CO 0.29 0.47 -0.22 0.26 0.00 0.00 0.00 175.10 175.89 1mr1 s TRP 398 N -0.73 2.10 -0.03 5.22 0.52 0.09 -0.98 118.94 125.13 1mr1 s TRP 398 Ca 0.11 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1mr1 s TRP 398 Cb -0.10 -1.07 -0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1mr1 s TRP 398 CO 0.01 0.39 -0.12 0.08 0.02 0.00 0.00 176.95 177.32 1mr1 s VAL 399 N -1.60 1.03 -0.11 4.03 1.01 0.27 -1.14 120.40 123.90 1mr1 s VAL 399 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1mr1 s VAL 399 Cb -0.08 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1mr1 s VAL 399 CO 0.08 0.31 -0.14 -0.60 0.00 0.00 0.00 175.10 174.74 1mr1 s ARG 400 N 0.09 2.11 -0.55 2.72 3.52 -0.80 -0.90 118.95 125.14 1mr1 s ARG 400 Ca -0.02 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 1mr1 s ARG 400 Cb -0.09 -1.83 0.06 0.00 -1.56 0.00 0.00 34.95 31.53 1mr1 s ARG 400 CO 0.01 -0.09 0.78 0.00 -0.81 0.00 0.00 175.30 175.20 1mr1 n LEU 402 N 6.82 0.67 -4.81 0.00 4.77 -0.51 0.60 117.00 124.54 1mr1 n LEU 402 Ca -0.04 -0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.46 1mr1 n LEU 402 Cb 0.46 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1mr1 n LEU 402 CO 0.59 0.16 0.71 -0.55 -1.33 0.00 0.00 177.39 176.97 1mr1 s SER 403 N -3.05 5.24 0.00 -1.43 0.15 -0.77 -4.49 113.70 109.36 1mr1 s SER 403 Ca 0.10 1.66 0.29 0.00 0.70 0.00 0.00 55.95 58.70 1mr1 s SER 403 Cb 0.17 -2.50 1.48 0.00 -1.71 0.00 0.00 66.02 63.45 1mr1 s SER 403 CO 0.76 -1.54 1.98 0.47 1.20 0.00 0.00 173.24 176.11 1mr1 n ASP 404 N -3.16 0.67 -4.03 5.45 8.00 -1.26 -4.47 116.55 117.75 1mr1 n ASP 404 Ca 0.08 -1.25 -0.26 0.00 0.71 0.00 0.00 54.79 54.07 1mr1 n ASP 404 Cb 0.53 -0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.46 1mr1 n ASP 404 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1mr1 s HIS 405 N -1.99 1.64 0.98 1.24 3.76 -1.26 -4.87 115.29 114.79 1mr1 s HIS 405 Ca 0.42 -0.68 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 1mr1 s HIS 405 Cb 0.21 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.64 1mr1 s HIS 405 CO 0.34 -0.36 -0.25 0.00 -0.85 0.00 0.00 174.74 173.62 1mr1 n ALA 406 N 4.01 -4.15 -2.88 -1.40 0.00 -1.26 -4.81 120.51 110.03 1mr1 n ALA 406 Ca -0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1mr1 n ALA 406 Cb 0.51 -1.44 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 1mr1 n ALA 406 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mr1 s VAL 407 N -2.19 1.72 -0.25 0.00 1.01 -0.61 -3.94 120.40 116.14 1mr1 s VAL 407 Ca 0.48 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1mr1 s VAL 407 Cb -0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1mr1 s VAL 407 CO 0.75 0.49 0.13 -0.36 0.00 0.00 0.00 175.10 176.10 1mr1 s PHE 408 N -0.00 3.19 0.05 5.22 0.40 -0.76 0.17 117.98 126.24 1mr1 s PHE 408 Ca -0.05 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 1mr1 s PHE 408 Cb -0.13 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 1mr1 s PHE 408 CO 0.03 -0.17 -0.17 0.08 0.70 0.00 0.00 175.22 175.69 1mr1 s VAL 409 N 1.48 2.89 -0.36 -0.44 1.01 0.77 -0.45 120.40 125.29 1mr1 s VAL 409 Ca 0.06 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 1mr1 s VAL 409 Cb -0.15 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.06 1mr1 s VAL 409 CO 0.06 0.31 0.14 -1.58 0.00 0.00 0.00 175.10 174.03 1mr1 s GLN 410 N -1.54 2.43 -0.13 2.72 -0.44 0.18 -1.79 119.66 121.09 1mr1 s GLN 410 Ca 0.15 -1.41 -0.05 0.00 -2.50 0.00 0.00 55.36 51.55 1mr1 s GLN 410 Cb -0.11 -3.50 0.06 0.00 -1.64 0.00 0.00 33.01 27.83 1mr1 s GLN 410 CO 0.06 -0.82 0.26 -1.54 0.50 0.00 0.00 175.29 173.76 1mr1 s SER 411 N 1.64 0.29 0.55 6.67 1.04 -1.26 -2.87 113.70 119.75 1mr1 s SER 411 Ca 0.01 0.59 0.23 0.00 0.48 0.00 0.00 55.95 57.26 1mr1 s SER 411 Cb -0.21 0.68 1.47 0.00 0.10 0.00 0.00 66.02 68.06 1mr1 s SER 411 CO 0.00 -0.23 2.13 1.88 0.98 0.00 0.00 173.24 178.00 1mr1 h TYR 412 N 8.18 0.00 -0.29 5.02 0.05 -1.88 0.15 116.97 128.20 1mr1 h TYR 412 Ca -0.17 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.49 1mr1 h TYR 412 Cb 1.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 1mr1 h TYR 412 CO 0.37 0.00 -0.34 -0.92 -1.05 0.00 0.00 178.16 176.22 1mr1 h TYR 413 N 0.00 0.74 0.11 4.88 3.20 -1.95 -1.01 116.97 122.93 1mr1 h TYR 413 Ca 0.06 -0.19 -0.30 0.00 3.14 0.00 0.00 58.73 61.44 1mr1 h TYR 413 Cb 0.28 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.41 1mr1 h TYR 413 CO 0.00 0.89 -1.24 -0.07 -1.64 0.00 0.00 178.16 176.10 1mr1 h LEU 414 N 0.53 0.89 -0.56 2.82 3.38 -1.29 -2.18 115.31 118.90 1mr1 h LEU 414 Ca 0.06 -0.81 0.11 0.00 0.09 0.00 0.00 57.88 57.33 1mr1 h LEU 414 Cb 0.84 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 1mr1 h LEU 414 CO 0.07 1.61 -0.21 0.44 0.09 0.00 0.00 178.44 180.44 1mr1 h ASP 415 N 0.29 -0.75 0.62 -0.43 3.45 -0.60 0.74 116.42 119.74 1mr1 h ASP 415 Ca -0.19 0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1mr1 h ASP 415 Cb 1.91 0.43 0.01 0.00 -0.56 0.00 0.00 39.33 41.11 1mr1 h ASP 415 CO 0.24 -0.24 -0.30 -0.09 -1.57 0.00 0.00 179.24 177.28 1mr1 h ARG 416 N -0.08 -0.81 -1.04 3.56 2.43 -1.16 -2.15 114.38 115.13 1mr1 h ARG 416 Ca 0.26 0.05 0.31 0.00 -0.81 0.00 0.00 59.98 59.79 1mr1 h ARG 416 Cb 0.48 0.18 -0.14 0.00 -0.42 0.00 0.00 29.97 30.08 1mr1 h ARG 416 CO -0.61 -0.54 0.61 0.93 -1.51 0.00 0.00 179.97 178.85 1mr1 h GLU 417 N -0.84 0.35 0.00 0.20 4.39 -0.86 1.20 114.58 119.02 1mr1 h GLU 417 Ca -0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1mr1 h GLU 417 Cb 0.64 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1mr1 h GLU 417 CO 0.14 0.23 -0.05 0.00 -1.16 0.00 0.00 179.01 178.17 1mr1 h ALA 418 N 1.78 1.87 -0.34 3.43 0.00 0.81 -3.46 119.26 123.34 1mr1 h ALA 418 Ca 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1mr1 h ALA 418 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1mr1 h ALA 418 CO -0.53 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1mr1 n GLY 419 N -1.37 1.04 3.25 0.00 0.00 0.41 -5.08 105.19 103.44 1mr1 n GLY 419 Ca -0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1mr1 n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mr1 s ARG 420 N -2.63 1.15 0.60 1.61 0.52 -0.86 -5.05 118.95 114.30 1mr1 s ARG 420 Ca 0.00 -1.57 -0.16 0.00 -0.52 0.00 0.00 55.73 53.48 1mr1 s ARG 420 Cb 0.00 -0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 1mr1 s ARG 420 CO 0.00 -0.17 1.08 0.00 0.02 0.00 0.00 175.30 176.23 1mr1 s ALA 421 N -3.70 2.66 0.26 2.13 0.00 -1.26 -4.12 121.76 117.74 1mr1 s ALA 421 Ca 0.27 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1mr1 s ALA 421 Cb 0.06 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1mr1 s ALA 421 CO 0.06 -0.92 1.18 -2.30 0.00 0.00 0.00 175.76 173.78 1mr1 n PRO 422 N -2.05 1.61 0.00 0.00 -0.02 -1.26 -1.98 135.00 131.31 1mr1 n PRO 422 Ca 0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1mr1 n PRO 422 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1mr1 n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mr1 n GLY 423 N 1.52 1.50 0.00 -1.23 0.00 -1.26 -4.81 105.19 100.91 1mr1 n GLY 423 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1mr1 n GLY 423 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mr1 n ASP 424 N 0.00 0.00 -3.74 1.61 2.03 -0.83 -4.79 116.55 110.82 1mr1 n ASP 424 Ca 0.00 0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.28 1mr1 n ASP 424 Cb 0.00 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.02 1mr1 n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mr1 s ALA 425 N -2.58 -0.87 -0.12 -1.67 0.00 -1.26 -4.99 121.76 110.27 1mr1 s ALA 425 Ca 0.13 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1mr1 s ALA 425 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1mr1 s ALA 425 CO 0.21 -0.25 0.04 0.08 0.00 0.00 0.00 175.76 175.84 1mr1 s VAL 426 N -1.03 4.64 -0.13 0.00 1.01 -1.26 -4.78 120.40 118.83 1mr1 s VAL 426 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1mr1 s VAL 426 Cb -0.04 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1mr1 s VAL 426 CO 0.04 0.57 -0.04 -1.00 0.00 0.00 0.00 175.10 174.67 1mr1 s HIS 427 N -0.55 3.02 -0.36 5.22 0.09 -0.74 -4.96 115.29 117.00 1mr1 s HIS 427 Ca 0.10 -0.21 -0.14 0.00 -0.00 0.00 0.00 55.06 54.81 1mr1 s HIS 427 Cb -0.12 -1.90 -0.01 0.00 -0.00 0.00 0.00 32.58 30.56 1mr1 s HIS 427 CO 0.02 0.07 0.31 0.21 -0.00 0.00 0.00 174.74 175.35 1mr1 s LYS 428 N 0.04 3.40 -0.49 1.40 2.20 -1.26 -0.16 119.74 124.87 1mr1 s LYS 428 Ca 0.00 -0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 54.80 1mr1 s LYS 428 Cb -0.13 -3.85 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1mr1 s LYS 428 CO 0.03 -0.55 0.54 0.42 -0.36 0.00 0.00 175.35 175.42 1mr1 s ILE 429 N 1.85 5.01 0.76 5.43 1.01 0.13 -4.94 121.20 130.45 1mr1 s ILE 429 Ca 0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 1mr1 s ILE 429 Cb -0.17 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.13 1mr1 s ILE 429 CO 0.11 -0.71 1.22 -0.31 0.00 0.00 0.00 174.94 175.26 1mr1 s TYR 430 N 2.27 1.90 0.35 3.97 1.51 -1.26 -1.57 117.35 124.52 1mr1 s TYR 430 Ca 0.11 1.62 -0.27 0.00 -1.01 0.00 0.00 57.07 57.52 1mr1 s TYR 430 Cb -0.21 -3.52 -0.12 0.00 -0.11 0.00 0.00 41.96 38.00 1mr1 s TYR 430 CO 0.10 -2.82 1.21 -2.30 -1.11 0.00 0.00 175.55 170.63 1mr1 n PRO 431 N -2.94 1.87 -0.75 -1.71 -0.02 -1.26 -0.85 135.00 129.34 1mr1 n PRO 431 Ca 0.14 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1mr1 n PRO 431 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1mr1 n PRO 431 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1mr1 n SER 432 N 0.73 -0.27 -4.81 2.55 7.64 0.20 -4.98 113.62 114.68 1mr1 n SER 432 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 1mr1 n SER 432 Cb 0.36 -1.37 0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1mr1 n SER 432 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mr1 s ALA 433 N -2.36 2.70 -0.33 -0.43 0.00 -0.03 -4.82 121.76 116.49 1mr1 s ALA 433 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1mr1 s ALA 433 Cb 0.00 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1mr1 s ALA 433 CO 0.00 -1.10 0.16 -0.47 0.00 0.00 0.00 175.76 174.35 1mr1 s TYR 434 N -2.87 1.06 0.09 0.00 6.04 -1.26 -2.23 117.35 118.18 1mr1 s TYR 434 Ca 0.60 -1.55 0.09 0.00 0.04 0.00 0.00 57.07 56.25 1mr1 s TYR 434 Cb -0.14 -1.28 -0.04 0.00 -1.04 0.00 0.00 41.96 39.46 1mr1 s TYR 434 CO 0.50 -0.84 -0.21 0.42 -1.54 0.00 0.00 175.55 173.88 1mr1 s ILE 435 N 1.42 2.58 -0.15 3.14 1.09 -0.08 -4.94 121.20 124.27 1mr1 s ILE 435 Ca 0.13 -1.47 -0.22 0.00 -1.10 0.00 0.00 60.65 57.99 1mr1 s ILE 435 Cb -0.20 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.05 1mr1 s ILE 435 CO -0.18 0.20 0.68 -0.75 -0.10 0.00 0.00 174.94 174.79 1mr1 s LYS 436 N -1.81 4.31 0.00 2.79 2.20 -1.26 0.97 119.74 126.93 1mr1 s LYS 436 Ca 0.15 0.77 0.05 0.00 -0.36 0.00 0.00 55.97 56.59 1mr1 s LYS 436 Cb -0.10 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1mr1 s LYS 436 CO 0.07 -0.14 0.72 1.33 -0.36 0.00 0.00 175.35 176.97 1mr1 n VAL 437 N 4.36 0.10 -3.64 4.02 0.24 -0.15 -4.86 118.33 118.40 1mr1 n VAL 437 Ca -0.00 -0.55 -0.07 0.00 -2.04 0.00 0.00 64.34 61.67 1mr1 n VAL 437 Cb 0.50 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 1mr1 n VAL 437 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1mr1 s PHE 438 N -0.51 -1.07 -0.46 6.34 5.36 -1.09 -4.52 117.98 122.04 1mr1 s PHE 438 Ca 0.07 2.12 0.04 0.00 -0.96 0.00 0.00 56.93 58.20 1mr1 s PHE 438 Cb 0.05 0.63 0.12 0.00 -0.34 0.00 0.00 43.02 43.48 1mr1 s PHE 438 CO 0.07 -0.53 0.19 0.34 -1.46 0.00 0.00 175.22 173.84 1mr1 s ASP 439 N 1.67 4.43 0.13 6.13 2.15 -1.26 -1.43 116.67 128.49 1mr1 s ASP 439 Ca -0.10 -2.74 -0.18 0.00 0.43 0.00 0.00 52.55 49.96 1mr1 s ASP 439 Cb -0.05 -1.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.97 1mr1 s ASP 439 CO -0.20 -0.28 1.06 -0.11 -0.17 0.00 0.00 175.17 175.48 1mr1 n LEU 440 N 3.47 -0.64 -0.21 -1.34 -0.00 -1.26 -0.31 117.00 116.71 1mr1 n LEU 440 Ca 0.05 1.22 0.00 0.00 -0.00 0.00 0.00 56.01 57.28 1mr1 n LEU 440 Cb 0.35 -0.19 0.11 0.00 -0.00 0.00 0.00 43.42 43.69 1mr1 n LEU 440 CO 0.30 -1.02 1.01 0.03 -0.00 0.00 0.00 177.39 177.70 1mr1 h ARG 441 N 0.00 0.44 0.00 1.96 3.08 -1.95 0.29 114.38 118.19 1mr1 h ARG 441 Ca 0.15 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1mr1 h ARG 441 Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1mr1 h ARG 441 CO -0.66 0.29 -0.08 0.37 -1.07 0.00 0.00 179.97 178.83 1mr1 h GLN 442 N 0.45 0.00 0.18 0.04 4.15 -1.09 0.30 115.11 119.15 1mr1 h GLN 442 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1mr1 h GLN 442 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1mr1 h GLN 442 CO -0.29 0.08 -0.09 0.00 -1.93 0.00 0.00 178.83 176.60 1mr1 h HIS 444 N -0.88 -1.17 -1.44 0.00 -0.00 -0.67 0.01 115.15 111.00 1mr1 h HIS 444 Ca -0.03 -0.01 0.45 0.00 -0.00 0.00 0.00 60.37 60.79 1mr1 h HIS 444 Cb 0.51 0.42 -0.11 0.00 -0.00 0.00 0.00 27.41 28.23 1mr1 h HIS 444 CO 0.08 -0.65 0.97 -0.09 -0.00 0.00 0.00 177.93 178.24 1mr1 h ARG 445 N -1.05 0.06 0.16 5.26 2.43 -0.53 1.13 114.38 121.84 1mr1 h ARG 445 Ca -0.08 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 1mr1 h ARG 445 Cb 0.86 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1mr1 h ARG 445 CO 0.07 0.04 -1.32 0.37 -1.51 0.00 0.00 179.97 177.62 1mr1 h GLN 446 N 0.07 0.34 -0.07 0.20 5.75 -0.87 -2.81 115.11 117.71 1mr1 h GLN 446 Ca 0.82 -0.58 -0.03 0.00 -0.15 0.00 0.00 58.65 58.72 1mr1 h GLN 446 Cb 2.79 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 31.55 1mr1 h GLN 446 CO -0.30 1.27 -0.07 0.52 -2.65 0.00 0.00 178.83 177.60 1mr1 h MET 447 N 0.09 0.11 0.14 1.69 2.86 0.32 -3.16 114.93 116.98 1mr1 h MET 447 Ca -0.17 -0.02 -0.36 0.00 -2.06 0.00 0.00 59.70 57.09 1mr1 h MET 447 Cb 2.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1mr1 h MET 447 CO 0.22 0.19 -1.94 1.96 1.06 0.00 0.00 176.91 178.41 1mr1 h GLN 448 N 0.11 0.29 -0.12 1.72 4.20 -1.42 -3.32 115.11 116.57 1mr1 h GLN 448 Ca 0.02 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1mr1 h GLN 448 Cb 0.21 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1mr1 h GLN 448 CO 0.01 1.23 0.00 1.04 -0.67 0.00 0.00 178.83 180.44 1mr1 n GLN 449 N -3.50 0.24 -0.49 1.46 6.02 -1.06 -1.50 117.38 118.55 1mr1 n GLN 449 Ca -0.30 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.74 1mr1 n GLN 449 Cb 1.05 -1.06 0.20 0.00 1.02 0.00 0.00 30.24 31.45 1mr1 n GLN 449 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1mr1 n GLN 450 N -0.07 1.83 0.00 -1.09 7.27 -1.23 -4.64 117.38 119.45 1mr1 n GLN 450 Ca 0.00 -2.99 0.10 0.00 0.07 0.00 0.00 57.00 54.18 1mr1 n GLN 450 Cb 0.03 -1.69 0.59 0.00 2.41 0.00 0.00 30.24 31.58 1mr1 n GLN 450 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1mr1 n ALA 451 N -1.09 2.23 1.67 1.69 0.00 -0.56 -5.08 120.51 119.36 1mr1 n ALA 451 Ca 0.23 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1mr1 n ALA 451 Cb 0.82 -1.33 0.71 0.00 0.00 0.00 0.00 19.45 19.65 1mr1 n ALA 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr1 n ALA 452 N -1.03 2.67 -0.05 0.00 0.00 -1.26 -4.75 120.51 116.09 1mr1 n ALA 452 Ca 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1mr1 n ALA 452 Cb 0.08 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.06 1mr1 n ALA 452 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1mr1 n VAL 492 N -0.58 0.65 -0.00 0.00 3.14 -1.26 -4.73 118.33 115.55 1mr1 n VAL 492 Ca 0.20 -0.55 -0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1mr1 n VAL 492 Cb 0.24 -0.32 -0.00 0.00 -1.06 0.00 0.00 33.84 32.70 1mr1 n VAL 492 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1mr1 h ASP 493 N 0.00 0.00 -0.58 6.55 1.82 -2.06 -3.34 116.42 118.81 1mr1 h ASP 493 Ca -0.26 0.00 0.24 0.00 -0.39 0.00 0.00 57.03 56.62 1mr1 h ASP 493 Cb 1.50 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.40 1mr1 h ASP 493 CO 0.01 0.00 0.29 0.47 -1.61 0.00 0.00 179.24 178.41 1mr1 n ASP 494 N -2.04 0.18 0.12 2.28 8.00 -1.26 0.72 116.55 124.55 1mr1 n ASP 494 Ca -0.00 0.97 -0.13 0.00 0.71 0.00 0.00 54.79 56.33 1mr1 n ASP 494 Cb 0.00 -0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 1mr1 n ASP 494 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1mr1 h LEU 495 N 0.00 -0.19 0.00 0.64 -0.00 -2.01 -2.22 115.31 111.53 1mr1 h LEU 495 Ca 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.36 1mr1 h LEU 495 Cb 1.27 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1mr1 h LEU 495 CO -0.45 -0.13 0.00 -2.11 -0.00 0.00 0.00 178.44 175.75 1mr1 n ARG 496 N -5.18 0.27 0.01 1.13 1.85 0.22 -1.56 116.66 113.40 1mr1 n ARG 496 Ca -0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.67 1mr1 n ARG 496 Cb 0.12 -1.16 -0.13 0.00 -1.05 0.00 0.00 32.46 30.23 1mr1 n ARG 496 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mr1 h ARG 497 N 0.00 0.04 0.00 2.89 2.47 -1.39 -3.32 114.38 115.07 1mr1 h ARG 497 Ca 0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1mr1 h ARG 497 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1mr1 h ARG 497 CO 0.00 0.74 -0.25 -0.07 0.56 0.00 0.00 179.97 180.95 1mr1 h LEU 498 N 0.01 0.00 -3.60 3.04 3.38 -1.41 -3.25 115.31 113.47 1mr1 h LEU 498 Ca -0.21 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1mr1 h LEU 498 Cb 1.94 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.65 1mr1 h LEU 498 CO 0.10 0.03 0.08 0.00 0.09 0.00 0.00 178.44 178.75 1mr1 s ILE 500 N -2.86 0.74 0.05 0.00 1.01 -1.23 -2.58 121.20 116.34 1mr1 s ILE 500 Ca 0.54 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1mr1 s ILE 500 Cb 0.42 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1mr1 s ILE 500 CO 0.15 0.22 -0.17 -0.76 0.00 0.00 0.00 174.94 174.38 1mr1 s LEU 501 N -0.01 2.69 0.00 2.97 1.43 -0.67 -4.84 118.68 120.25 1mr1 s LEU 501 Ca 0.00 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1mr1 s LEU 501 Cb -0.06 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1mr1 s LEU 501 CO -0.00 0.25 0.02 -0.13 0.23 0.00 0.00 176.35 176.72 1mr1 s ARG 502 N -1.54 0.22 -0.20 1.70 0.52 -1.14 -0.53 118.95 117.97 1mr1 s ARG 502 Ca 0.15 -0.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.80 1mr1 s ARG 502 Cb -0.11 0.08 0.09 0.00 0.52 0.00 0.00 34.95 35.54 1mr1 s ARG 502 CO 0.06 -0.04 0.83 0.00 0.02 0.00 0.00 175.30 176.18 1mr1 s MET 503 N -0.80 0.77 0.04 3.54 0.23 -1.09 0.49 119.30 122.48 1mr1 s MET 503 Ca -0.09 0.58 0.00 0.00 -1.03 0.00 0.00 55.69 55.16 1mr1 s MET 503 Cb -0.05 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1mr1 s MET 503 CO -0.00 -0.16 0.13 -1.12 -2.03 0.00 0.00 175.02 171.84 1mr1 s SER 504 N -0.28 5.91 0.38 -1.18 0.01 0.40 -1.54 113.70 117.40 1mr1 s SER 504 Ca -0.02 0.16 0.25 0.00 1.31 0.00 0.00 55.95 57.65 1mr1 s SER 504 Cb -0.03 -1.73 0.57 0.00 0.21 0.00 0.00 66.02 65.05 1mr1 s SER 504 CO 0.01 0.22 1.69 -0.26 0.41 0.00 0.00 173.24 175.31 1mr1 h PHE 505 N 3.57 0.00 0.00 2.43 -1.00 -0.55 -2.03 116.94 119.36 1mr1 h PHE 505 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1mr1 h PHE 505 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1mr1 h PHE 505 CO 0.63 0.00 0.00 1.55 -1.61 0.00 0.00 178.31 178.88 1mr1 n VAL 506 N -2.84 0.00 -4.36 -0.55 3.14 -1.25 -4.59 118.33 107.89 1mr1 n VAL 506 Ca 0.04 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.08 1mr1 n VAL 506 Cb 0.48 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.13 1mr1 n VAL 506 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1mr1 s LYS 507 N 0.00 3.64 0.79 1.45 -0.14 -1.26 -4.89 119.74 119.32 1mr1 s LYS 507 Ca 0.00 -0.53 -0.09 0.00 -1.36 0.00 0.00 55.97 53.99 1mr1 s LYS 507 Cb 0.00 -2.93 0.11 0.00 -1.68 0.00 0.00 37.83 33.33 1mr1 s LYS 507 CO 0.00 0.19 1.12 0.20 -0.76 0.00 0.00 175.35 176.10 1mr1 s GLY 508 N 0.49 1.70 0.29 -3.33 0.00 -1.26 -4.74 107.32 100.47 1mr1 s GLY 508 Ca -0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.57 1mr1 s GLY 508 CO 0.03 -0.51 0.46 0.66 0.00 0.00 0.00 173.10 173.73 1mr1 s TRP 509 N -3.45 0.70 -0.04 1.90 -2.14 -1.26 -4.60 118.94 110.04 1mr1 s TRP 509 Ca 0.65 -1.01 0.00 0.00 2.66 0.00 0.00 56.10 58.39 1mr1 s TRP 509 Cb -0.08 0.04 0.00 0.00 -3.10 0.00 0.00 33.47 30.33 1mr1 s TRP 509 CO 0.47 -1.04 0.00 0.41 -2.66 0.00 0.00 176.95 174.13 1mr1 n GLY 510 N -0.45 0.44 0.18 3.67 0.00 0.12 -4.72 105.19 104.43 1mr1 n GLY 510 Ca -0.01 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.65 1mr1 n GLY 510 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mr1 h PRO 511 N 8.99 -0.09 0.00 1.61 0.11 -1.83 -2.27 132.00 138.52 1mr1 h PRO 511 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1mr1 h PRO 511 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1mr1 h PRO 511 CO 0.00 -0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 174.26 1mr1 n ASP 512 N -3.86 0.00 -4.91 -2.05 4.64 -1.26 -4.81 116.55 104.30 1mr1 n ASP 512 Ca -0.00 0.45 -0.28 0.00 -1.38 0.00 0.00 54.79 53.57 1mr1 n ASP 512 Cb 0.12 -0.48 -0.03 0.00 -1.04 0.00 0.00 41.12 39.70 1mr1 n ASP 512 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1mr1 s TYR 513 N -2.95 3.48 0.21 -0.67 1.51 -0.85 -4.99 117.35 113.09 1mr1 s TYR 513 Ca 0.10 0.62 -0.09 0.00 -1.01 0.00 0.00 57.07 56.69 1mr1 s TYR 513 Cb 0.12 -2.08 0.28 0.00 -0.11 0.00 0.00 41.96 40.17 1mr1 s TYR 513 CO 0.34 0.18 1.79 -1.00 -1.11 0.00 0.00 175.55 175.75 1mr1 h PRO 514 N 1.67 0.60 -6.01 -1.71 0.13 -1.87 -3.37 132.00 121.43 1mr1 h PRO 514 Ca -0.48 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.05 1mr1 h PRO 514 Cb 1.19 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1mr1 h PRO 514 CO 0.66 0.40 0.32 1.03 -0.23 0.00 0.00 178.00 180.18 1mr1 s ARG 515 N -6.08 4.35 0.08 0.86 0.52 -1.26 -4.95 118.95 112.47 1mr1 s ARG 515 Ca -0.13 1.03 0.15 0.00 -0.52 0.00 0.00 55.73 56.26 1mr1 s ARG 515 Cb 0.17 -3.53 -0.13 0.00 0.52 0.00 0.00 34.95 31.97 1mr1 s ARG 515 CO 0.76 -0.21 0.93 0.37 0.02 0.00 0.00 175.30 177.16 1mr1 h GLN 516 N 7.15 0.00 -4.90 3.54 5.75 -1.73 0.34 115.11 125.26 1mr1 h GLN 516 Ca -0.33 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 57.84 1mr1 h GLN 516 Cb 1.15 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.50 1mr1 h GLN 516 CO 0.81 0.43 -0.75 -1.54 -2.65 0.00 0.00 178.83 175.13 1mr1 s SER 517 N -6.04 1.23 0.62 -0.69 1.04 -1.26 -2.88 113.70 105.72 1mr1 s SER 517 Ca -0.02 -0.61 0.32 0.00 0.48 0.00 0.00 55.95 56.12 1mr1 s SER 517 Cb 0.08 0.00 1.79 0.00 0.10 0.00 0.00 66.02 68.00 1mr1 s SER 517 CO 0.80 -0.17 2.11 -0.29 0.98 0.00 0.00 173.24 176.67 1mr1 h ILE 518 N 4.30 0.29 0.00 -1.02 2.10 -1.95 0.21 117.51 121.44 1mr1 h ILE 518 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1mr1 h ILE 518 Cb 1.20 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1mr1 h ILE 518 CO 0.42 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 177.78 1mr1 n LYS 519 N -3.48 0.04 0.00 2.19 5.02 -1.26 -1.77 118.16 118.90 1mr1 n LYS 519 Ca 0.00 0.41 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1mr1 n LYS 519 Cb 0.30 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 1mr1 n LYS 519 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mr1 n GLU 520 N -1.68 0.02 -2.84 1.97 1.02 0.74 -2.60 120.64 117.27 1mr1 n GLU 520 Ca 0.01 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 1mr1 n GLU 520 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 1mr1 n GLU 520 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1mr1 s THR 521 N -3.01 4.33 0.32 2.62 -4.23 -0.73 -4.88 115.64 110.05 1mr1 s THR 521 Ca 0.08 1.92 0.00 0.00 -1.18 0.00 0.00 61.69 62.51 1mr1 s THR 521 Cb 0.16 -4.25 0.27 0.00 1.34 0.00 0.00 72.50 70.02 1mr1 s THR 521 CO 0.85 0.45 1.97 1.55 -0.54 0.00 0.00 174.62 178.91 1mr1 h PRO 522 N 4.69 0.96 -3.45 3.99 0.13 -1.91 -3.08 132.00 133.34 1mr1 h PRO 522 Ca -0.45 -0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1mr1 h PRO 522 Cb 1.20 -0.22 -0.40 0.00 0.13 0.00 0.00 31.00 31.72 1mr1 h PRO 522 CO 0.69 0.64 -0.76 0.00 -0.23 0.00 0.00 178.00 178.33 1mr1 s TRP 524 N 1.72 0.57 0.12 0.00 1.48 -0.56 0.21 118.94 122.48 1mr1 s TRP 524 Ca 0.08 -1.00 0.03 0.00 -1.06 0.00 0.00 56.10 54.15 1mr1 s TRP 524 Cb -0.17 -0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 31.78 1mr1 s TRP 524 CO -0.25 -0.51 -0.08 0.96 -4.06 0.00 0.00 176.95 173.00 1mr1 s ILE 525 N -3.97 0.91 -0.12 0.66 -4.36 -0.59 0.23 121.20 113.97 1mr1 s ILE 525 Ca 0.15 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1mr1 s ILE 525 Cb 0.07 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 42.06 1mr1 s ILE 525 CO -0.04 -0.80 -0.17 -0.70 0.24 0.00 0.00 174.94 173.47 1mr1 s GLU 526 N -3.72 2.46 -0.19 0.37 2.12 0.16 -2.68 118.70 117.21 1mr1 s GLU 526 Ca 0.13 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 1mr1 s GLU 526 Cb 0.04 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1mr1 s GLU 526 CO -0.02 -0.04 -0.00 0.42 -0.54 0.00 0.00 175.26 175.07 1mr1 s ILE 527 N 0.92 3.96 -0.28 -3.70 1.01 0.31 -0.78 121.20 122.65 1mr1 s ILE 527 Ca -0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1mr1 s ILE 527 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1mr1 s ILE 527 CO -0.01 0.44 0.13 -1.00 0.00 0.00 0.00 174.94 174.50 1mr1 s HIS 528 N 0.90 3.15 -0.74 3.97 3.76 0.45 -1.67 115.29 125.12 1mr1 s HIS 528 Ca 0.01 -0.30 -0.22 0.00 -0.15 0.00 0.00 55.06 54.40 1mr1 s HIS 528 Cb -0.14 -2.32 0.08 0.00 1.11 0.00 0.00 32.58 31.31 1mr1 s HIS 528 CO 0.02 -0.33 1.05 -0.51 -0.85 0.00 0.00 174.74 174.12 1mr1 s LEU 529 N 1.66 4.37 0.14 0.89 1.02 -1.06 -1.34 118.68 124.36 1mr1 s LEU 529 Ca 0.06 -1.18 -0.24 0.00 0.02 0.00 0.00 54.13 52.79 1mr1 s LEU 529 Cb -0.16 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.62 1mr1 s LEU 529 CO 0.07 -1.40 1.62 0.45 0.02 0.00 0.00 176.35 177.10 1mr1 h HIS 530 N 9.48 -0.79 -0.96 0.29 3.86 -1.60 -0.02 115.15 125.40 1mr1 h HIS 530 Ca -0.18 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1mr1 h HIS 530 Cb 1.06 0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.84 1mr1 h HIS 530 CO 1.03 -0.37 0.62 -0.09 0.86 0.00 0.00 177.93 179.99 1mr1 h ARG 531 N -0.32 1.08 -0.49 2.45 1.12 -1.83 0.25 114.38 116.63 1mr1 h ARG 531 Ca 0.12 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 58.93 1mr1 h ARG 531 Cb 0.51 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 30.20 1mr1 h ARG 531 CO -0.39 0.72 0.32 0.00 -3.11 0.00 0.00 179.97 177.51 1mr1 h ALA 532 N 1.48 0.62 -0.79 2.80 0.00 -1.59 -2.11 119.26 119.67 1mr1 h ALA 532 Ca 0.41 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1mr1 h ALA 532 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1mr1 h ALA 532 CO -0.16 0.06 0.29 -0.07 0.00 0.00 0.00 179.25 179.37 1mr1 h LEU 533 N 0.65 1.11 -0.40 0.00 3.38 0.69 -2.74 115.31 118.00 1mr1 h LEU 533 Ca 0.18 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1mr1 h LEU 533 Cb -0.07 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 1mr1 h LEU 533 CO -0.04 0.99 0.08 1.56 0.09 0.00 0.00 178.44 181.12 1mr1 h GLN 534 N 1.15 0.21 0.00 1.13 4.20 0.03 0.21 115.11 122.05 1mr1 h GLN 534 Ca 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1mr1 h GLN 534 Cb 0.25 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1mr1 h GLN 534 CO -0.02 0.14 0.00 1.28 -0.67 0.00 0.00 178.83 179.56 1mr1 n LEU 535 N -5.09 0.00 -0.07 1.46 4.77 -0.87 -2.55 117.00 114.65 1mr1 n LEU 535 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1mr1 n LEU 535 Cb 0.18 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1mr1 n LEU 535 CO 0.23 0.00 0.23 0.25 -1.33 0.00 0.00 177.39 176.77 1mr1 h LEU 536 N 0.00 0.00 -0.60 2.23 6.46 -0.37 -3.36 115.31 119.67 1mr1 h LEU 536 Ca 0.00 -0.88 -0.02 0.00 -0.12 0.00 0.00 57.88 56.86 1mr1 h LEU 536 Cb 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1mr1 h LEU 536 CO 0.00 1.06 0.29 0.44 -0.62 0.00 0.00 178.44 179.61 1mr1 h ASP 537 N -1.00 0.79 0.00 1.25 5.19 -1.45 -2.30 116.42 118.89 1mr1 h ASP 537 Ca -0.05 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1mr1 h ASP 537 Cb 1.01 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1mr1 h ASP 537 CO -0.03 0.70 0.00 -0.62 -3.12 0.00 0.00 179.24 176.16 1mr1 n GLU 538 N -4.52 0.00 -0.03 3.56 1.02 -1.18 0.51 120.64 120.00 1mr1 n GLU 538 Ca 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1mr1 n GLU 538 Cb 0.12 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1mr1 n GLU 538 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1mr1 n VAL 539 N -0.58 0.30 0.11 2.62 0.31 -0.88 -4.26 118.33 115.96 1mr1 n VAL 539 Ca 0.00 -0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 64.17 1mr1 n VAL 539 Cb 0.00 -0.73 0.16 0.00 -0.91 0.00 0.00 33.84 32.37 1mr1 n VAL 539 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1mr1 h LEU 540 N 0.00 0.17 -1.19 7.52 3.38 0.20 -3.02 115.31 122.37 1mr1 h LEU 540 Ca -0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1mr1 h LEU 540 Cb 1.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1mr1 h LEU 540 CO -0.01 0.71 -0.02 1.41 0.09 0.00 0.00 178.44 180.61 1mr1 n HIS 541 N -3.88 0.00 -0.07 1.13 8.25 0.10 -3.52 115.22 117.24 1mr1 n HIS 541 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1mr1 n HIS 541 Cb 0.59 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 1mr1 n HIS 541 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1mr1 h THR 542 N 2.91 0.00 -0.77 1.59 2.02 -1.71 -3.48 112.91 113.47 1mr1 h THR 542 Ca 0.00 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.23 1mr1 h THR 542 Cb 0.63 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 66.85 1mr1 h THR 542 CO 0.00 0.00 -0.31 -0.04 0.37 0.00 0.00 175.52 175.54 1mr1 s MET 543 N -2.11 0.54 -0.56 6.66 -1.94 -1.18 -5.10 119.30 115.61 1mr1 s MET 543 Ca -0.12 0.08 -0.24 0.00 -1.71 0.00 0.00 55.69 53.69 1mr1 s MET 543 Cb 0.02 0.13 0.04 0.00 2.01 0.00 0.00 34.83 37.03 1mr1 s MET 543 CO 0.18 -0.87 0.97 -1.25 -0.01 0.00 0.00 175.02 174.05 1mr1 s PRO 544 N 2.33 3.34 0.23 2.03 0.05 -1.23 -4.88 135.00 136.86 1mr1 s PRO 544 Ca 0.16 -0.24 0.10 0.00 0.05 0.00 0.00 61.00 61.06 1mr1 s PRO 544 Cb -0.04 -4.06 -0.05 0.00 0.05 0.00 0.00 34.50 30.40 1mr1 s PRO 544 CO -0.16 -1.53 -0.18 0.42 0.05 0.00 0.00 177.00 175.59 1mr1 s ILE 545 N 4.08 2.09 0.00 0.56 1.01 -1.26 -5.11 121.20 122.57 1mr1 s ILE 545 Ca 0.31 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1mr1 s ILE 545 Cb -0.12 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1mr1 s ILE 545 CO 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 174.94 174.69 1mr1 n ALA 546 N -0.33 0.00 0.00 9.38 0.00 -1.26 -4.90 120.51 123.40 1mr1 n ALA 546 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mr1 n ALA 546 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1mr1 n ALA 546 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mr1 n ASP 547 N 0.00 0.00 0.00 0.00 8.00 -1.26 -4.90 116.55 118.39 1mr1 n ASP 547 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1mr1 n ASP 547 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1mr1 n ASP 547 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1mr1 n PRO 548 N 0.00 0.00 -3.77 -0.24 -0.02 -1.26 -3.90 135.00 125.81 1mr1 n PRO 548 Ca 0.00 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.49 1mr1 n PRO 548 Cb 0.00 -0.40 -0.17 0.00 -0.02 0.00 0.00 33.50 32.90 1mr1 n PRO 548 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1mr1 s GLN 549 N -2.57 0.72 0.00 -0.52 -2.07 -1.26 -5.37 119.66 108.58 1mr1 s GLN 549 Ca 0.00 -0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 1mr1 s GLN 549 Cb 0.00 -1.48 0.00 0.00 -1.09 0.00 0.00 33.01 30.44 1mr1 s GLN 549 CO 0.00 -0.43 0.10 -2.30 -1.32 0.00 0.00 175.29 171.34