#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8r h LEU 308 N 0.00 1.06 -0.87 0.99 5.85 -1.85 -0.74 115.31 119.75 3i8r h LEU 308 Ca 0.00 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3i8r h LEU 308 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3i8r h LEU 308 CO 0.00 0.71 0.23 0.00 -0.34 0.00 0.00 178.44 179.04 3i8r h ALA 309 N 1.43 1.09 -0.09 1.25 0.00 -1.85 0.66 119.26 121.75 3i8r h ALA 309 Ca 0.41 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 3i8r h ALA 309 Cb 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i8r h ALA 309 CO -0.15 0.63 -0.88 0.28 0.00 0.00 0.00 179.25 179.13 3i8r h VAL 310 N 1.03 1.28 -0.62 0.00 2.07 -1.84 -2.74 116.25 115.43 3i8r h VAL 310 Ca 0.23 -2.08 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 3i8r h VAL 310 Cb 0.27 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3i8r h VAL 310 CO -0.01 0.65 0.17 -0.08 0.02 0.00 0.00 177.57 178.32 3i8r h GLU 311 N 0.46 0.96 -0.46 1.57 4.81 -0.83 -0.96 114.58 120.13 3i8r h GLU 311 Ca -0.09 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3i8r h GLU 311 Cb 1.52 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 3i8r h GLU 311 CO 0.18 0.85 0.29 -0.07 -0.73 0.00 0.00 179.01 179.52 3i8r h LEU 312 N 0.92 0.49 -0.24 1.64 3.38 -0.84 -0.47 115.31 120.20 3i8r h LEU 312 Ca 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i8r h LEU 312 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i8r h LEU 312 CO -0.00 0.35 0.14 0.50 0.09 0.00 0.00 178.44 179.51 3i8r h LYS 313 N 0.59 0.33 -0.31 1.13 3.64 -1.17 -2.51 116.57 118.26 3i8r h LYS 313 Ca 0.18 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3i8r h LYS 313 Cb -0.02 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3i8r h LYS 313 CO -0.06 0.28 -0.36 1.96 -2.27 0.00 0.00 179.45 178.99 3i8r h GLN 314 N 0.29 0.80 0.00 1.90 4.20 -1.11 -1.75 115.11 119.44 3i8r h GLN 314 Ca 0.08 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3i8r h GLN 314 Cb 0.04 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i8r h GLN 314 CO -0.01 1.07 0.00 0.66 -0.67 0.00 0.00 178.83 179.88 3i8r h SER 315 N 0.56 0.00 -0.30 1.46 4.64 -1.02 -3.00 113.55 115.89 3i8r h SER 315 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i8r h SER 315 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3i8r h SER 315 CO 0.09 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 3i8r n THR 316 N -2.86 1.51 -0.14 2.95 -2.24 -0.95 -4.71 114.28 107.84 3i8r n THR 316 Ca 0.01 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.33 3i8r n THR 316 Cb 0.31 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3i8r n THR 316 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8r h ALA 317 N 1.87 0.58 -0.76 6.98 0.00 -1.17 0.19 119.26 126.95 3i8r h ALA 317 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3i8r h ALA 317 Cb 1.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3i8r h ALA 317 CO 0.09 0.43 0.43 0.37 0.00 0.00 0.00 179.25 180.57 3i8r h GLN 318 N 0.62 1.05 -0.48 0.00 4.15 -1.84 -1.21 115.11 117.39 3i8r h GLN 318 Ca 0.11 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 3i8r h GLN 318 Cb 0.59 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3i8r h GLN 318 CO 0.04 0.77 -0.16 0.00 -1.93 0.00 0.00 178.83 177.54 3i8r h ALA 319 N 1.23 0.80 -0.67 3.38 0.00 -1.74 -1.29 119.26 120.96 3i8r h ALA 319 Ca 0.27 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i8r h ALA 319 Cb 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3i8r h ALA 319 CO -0.05 0.66 0.36 1.25 0.00 0.00 0.00 179.25 181.47 3i8r h HIS 320 N 0.82 0.66 -0.60 0.00 -0.00 -0.72 -0.67 115.15 114.64 3i8r h HIS 320 Ca 0.12 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3i8r h HIS 320 Cb 0.71 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 3i8r h HIS 320 CO 0.04 0.30 0.02 1.49 -0.00 0.00 0.00 177.93 179.78 3i8r h GLU 321 N 0.66 1.03 -0.79 5.26 4.81 -0.67 -1.47 114.58 123.41 3i8r h GLU 321 Ca 0.30 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3i8r h GLU 321 Cb 0.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3i8r h GLU 321 CO -0.20 1.00 0.40 -0.22 -0.73 0.00 0.00 179.01 179.26 3i8r h LYS 322 N 0.95 1.12 -0.33 1.92 3.64 -0.95 -1.85 116.57 121.07 3i8r h LYS 322 Ca 0.17 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 3i8r h LYS 322 Cb 0.52 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3i8r h LYS 322 CO 0.03 0.85 -0.25 0.00 -2.27 0.00 0.00 179.45 177.81 3i8r h ALA 323 N 1.31 0.94 0.00 5.00 0.00 -0.42 -2.03 119.26 124.07 3i8r h ALA 323 Ca 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i8r h ALA 323 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i8r h ALA 323 CO -0.04 0.61 -0.08 0.93 0.00 0.00 0.00 179.25 180.67 3i8r h GLU 324 N 0.57 0.00 -0.51 0.00 5.08 -0.51 -1.55 114.58 117.65 3i8r h GLU 324 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i8r h GLU 324 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3i8r h GLU 324 CO 0.06 0.08 0.00 0.72 -1.00 0.00 0.00 179.01 178.87 3i8r n HIS 325 N -3.44 0.68 -1.60 4.33 8.25 -0.79 -4.44 115.22 118.20 3i8r n HIS 325 Ca -0.01 -0.34 -0.48 0.00 -0.26 0.00 0.00 57.72 56.63 3i8r n HIS 325 Cb 0.24 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3i8r n HIS 325 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8r n SER 326 N 1.43 1.77 -0.32 0.41 2.88 -0.59 -4.85 113.62 114.36 3i8r n SER 326 Ca 0.21 1.14 -0.04 0.00 -1.33 0.00 0.00 58.87 58.85 3i8r n SER 326 Cb 0.58 -1.27 0.08 0.00 -0.75 0.00 0.00 64.21 62.85 3i8r n SER 326 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i8r h THR 327 N 2.89 1.22 -0.29 2.46 2.02 -1.91 -0.24 112.91 119.06 3i8r h THR 327 Ca -0.44 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 3i8r h THR 327 Cb 1.32 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3i8r h THR 327 CO 0.73 0.22 -0.12 0.15 0.37 0.00 0.00 175.52 176.87 3i8r h PHE 328 N 1.17 0.69 -0.22 3.16 3.57 -1.89 -0.75 116.94 122.67 3i8r h PHE 328 Ca 0.31 -0.16 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3i8r h PHE 328 Cb -0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3i8r h PHE 328 CO -0.01 0.82 -0.48 1.98 -2.23 0.00 0.00 178.31 178.39 3i8r h MET 329 N 0.36 0.59 -0.24 1.11 4.05 -1.83 0.11 114.93 119.07 3i8r h MET 329 Ca 0.07 -0.34 -0.18 0.00 -0.28 0.00 0.00 59.70 58.97 3i8r h MET 329 Cb 0.63 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3i8r h MET 329 CO 0.04 0.94 -0.57 0.66 0.23 0.00 0.00 176.91 178.21 3i8r h SER 330 N 0.47 0.85 -0.63 1.39 4.64 -0.96 0.13 113.55 119.43 3i8r h SER 330 Ca 0.02 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 3i8r h SER 330 Cb 1.01 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3i8r h SER 330 CO 0.09 1.23 0.22 0.44 -0.87 0.00 0.00 176.83 177.94 3i8r h ASP 331 N 0.58 0.90 -0.23 4.97 3.32 -0.92 -0.42 116.42 124.61 3i8r h ASP 331 Ca 0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3i8r h ASP 331 Cb 1.15 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 3i8r h ASP 331 CO 0.12 0.85 -0.21 0.25 -1.72 0.00 0.00 179.24 178.53 3i8r h LEU 332 N 0.89 0.58 -0.49 1.55 5.85 -0.27 0.24 115.31 123.65 3i8r h LEU 332 Ca 0.21 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 3i8r h LEU 332 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3i8r h LEU 332 CO -0.01 0.93 -0.61 -0.07 -0.34 0.00 0.00 178.44 178.33 3i8r h LEU 333 N 0.24 0.00 -0.30 2.25 3.38 -0.69 -2.41 115.31 117.77 3i8r h LEU 333 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i8r h LEU 333 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3i8r h LEU 333 CO 0.05 0.61 0.00 0.29 0.09 0.00 0.00 178.44 179.49 3i8r n LYS 334 N -3.51 1.20 -1.41 1.13 5.02 -0.17 -4.91 118.16 115.50 3i8r n LYS 334 Ca -0.00 -0.30 -0.07 0.00 -2.02 0.00 0.00 58.31 55.92 3i8r n LYS 334 Cb 0.68 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.46 3i8r n LYS 334 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8r n GLY 335 N 0.77 0.77 0.02 0.72 0.00 -0.91 -4.93 105.19 101.64 3i8r n GLY 335 Ca 0.09 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.56 3i8r n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8r n ARG 336 N -2.56 0.07 0.00 1.61 1.74 0.06 -4.82 116.66 112.76 3i8r n ARG 336 Ca -0.08 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i8r n ARG 336 Cb 0.31 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3i8r n ARG 336 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3i8r n LEU 337 N -1.67 0.00 -3.75 0.55 4.77 -1.21 -4.99 117.00 110.71 3i8r n LEU 337 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 3i8r n LEU 337 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3i8r n LEU 337 CO 0.32 0.00 0.73 -0.83 -1.33 0.00 0.00 177.39 176.28 3i8r s GLY 338 N 0.00 -0.24 0.51 -0.72 0.00 -1.26 -5.01 107.32 100.59 3i8r s GLY 338 Ca 0.00 0.16 0.18 0.00 0.00 0.00 0.00 44.72 45.06 3i8r s GLY 338 CO 0.00 0.01 2.07 -0.24 0.00 0.00 0.00 173.10 174.94 3i8r h VAL 339 N 2.00 0.91 -0.34 1.40 3.04 -1.96 -2.10 116.25 119.20 3i8r h VAL 339 Ca -0.24 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 3i8r h VAL 339 Cb 1.23 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 3i8r h VAL 339 CO 0.26 0.02 0.19 0.00 -1.01 0.00 0.00 177.57 177.02 3i8r h ALA 340 N 1.86 0.44 -0.65 3.17 0.00 -1.99 0.15 119.26 122.24 3i8r h ALA 340 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3i8r h ALA 340 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3i8r h ALA 340 CO -0.01 -0.03 0.13 0.93 0.00 0.00 0.00 179.25 180.26 3i8r h GLU 341 N 0.43 1.05 -0.79 0.00 3.07 -1.79 -0.83 114.58 115.72 3i8r h GLU 341 Ca 0.12 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 3i8r h GLU 341 Cb 0.06 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.80 3i8r h GLU 341 CO -0.02 0.95 0.41 0.35 -1.40 0.00 0.00 179.01 179.30 3i8r h PHE 342 N 0.99 1.11 -0.57 4.33 3.57 -1.17 -1.61 116.94 123.59 3i8r h PHE 342 Ca 0.20 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3i8r h PHE 342 Cb 0.39 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3i8r h PHE 342 CO 0.03 0.79 0.25 1.15 -2.23 0.00 0.00 178.31 178.30 3i8r h THR 343 N 1.11 1.22 -0.72 4.41 2.02 -0.40 -1.04 112.91 119.50 3i8r h THR 343 Ca 0.27 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3i8r h THR 343 Cb 0.07 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3i8r h THR 343 CO -0.04 0.26 0.33 0.03 0.37 0.00 0.00 175.52 176.46 3i8r h ARG 344 N 0.78 1.04 -0.50 6.66 3.08 -0.83 0.90 114.38 125.51 3i8r h ARG 344 Ca 0.19 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3i8r h ARG 344 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3i8r h ARG 344 CO -0.02 0.82 0.25 1.25 -1.07 0.00 0.00 179.97 181.19 3i8r h LEU 345 N 1.03 0.64 -0.93 3.04 5.85 -0.74 -1.96 115.31 122.24 3i8r h LEU 345 Ca 0.25 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3i8r h LEU 345 Cb 0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3i8r h LEU 345 CO -0.03 0.58 -0.48 1.56 -0.34 0.00 0.00 178.44 179.73 3i8r h GLN 346 N 0.66 0.00 -0.64 1.25 1.08 -0.51 -0.58 115.11 116.36 3i8r h GLN 346 Ca 0.17 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 3i8r h GLN 346 Cb 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3i8r h GLN 346 CO -0.02 0.48 0.28 0.93 -0.95 0.00 0.00 178.83 179.54 3i8r h GLU 347 N 0.00 0.95 -0.67 1.46 5.08 -0.54 -0.15 114.58 120.71 3i8r h GLU 347 Ca -0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3i8r h GLU 347 Cb 0.94 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3i8r h GLU 347 CO 0.06 0.79 0.14 1.96 -1.00 0.00 0.00 179.01 180.96 3i8r h GLN 348 N 0.90 1.09 -0.59 2.33 1.08 -0.81 -2.26 115.11 116.85 3i8r h GLN 348 Ca 0.22 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3i8r h GLN 348 Cb 0.18 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3i8r h GLN 348 CO -0.02 0.99 0.25 0.00 -0.95 0.00 0.00 178.83 179.09 3i8r h ALA 349 N 1.06 1.34 -0.51 3.87 0.00 -0.90 -1.66 119.26 122.46 3i8r h ALA 349 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3i8r h ALA 349 Cb 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3i8r h ALA 349 CO 0.01 0.50 0.23 2.35 0.00 0.00 0.00 179.25 182.35 3i8r h TRP 350 N 0.84 0.43 -0.45 0.00 7.01 -0.46 0.33 115.95 123.65 3i8r h TRP 350 Ca 0.20 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3i8r h TRP 350 Cb 0.14 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 3i8r h TRP 350 CO 0.01 0.19 0.23 -0.07 -2.79 0.00 0.00 178.44 176.01 3i8r h LEU 351 N 0.46 0.57 -0.13 0.65 3.38 -0.92 -0.96 115.31 118.36 3i8r h LEU 351 Ca 0.23 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3i8r h LEU 351 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3i8r h LEU 351 CO -0.19 0.52 -0.98 2.19 0.09 0.00 0.00 178.44 180.06 3i8r h PHE 352 N 0.58 0.25 -0.22 1.13 -5.15 -1.07 -2.72 116.94 109.75 3i8r h PHE 352 Ca 0.16 -0.16 -0.11 0.00 -0.20 0.00 0.00 57.97 57.65 3i8r h PHE 352 Cb 0.08 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 36.22 3i8r h PHE 352 CO -0.02 1.04 -0.33 1.88 -2.00 0.00 0.00 178.31 178.88 3i8r h TYR 353 N 0.07 0.54 -0.36 6.09 0.05 -0.36 0.18 116.97 123.19 3i8r h TYR 353 Ca -0.05 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.63 3i8r h TYR 353 Cb 1.67 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 39.25 3i8r h TYR 353 CO 0.03 0.75 0.14 1.15 -1.05 0.00 0.00 178.16 179.17 3i8r h THR 354 N 0.40 0.92 -0.54 -2.88 2.02 -1.09 -0.37 112.91 111.37 3i8r h THR 354 Ca 0.05 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3i8r h THR 354 Cb 0.77 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3i8r h THR 354 CO 0.06 0.05 0.01 0.00 0.37 0.00 0.00 175.52 176.01 3i8r h ALA 355 N 1.22 0.73 -0.64 6.16 0.00 -1.18 -2.14 119.26 123.41 3i8r h ALA 355 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i8r h ALA 355 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3i8r h ALA 355 CO -0.15 0.55 0.39 1.25 0.00 0.00 0.00 179.25 181.29 3i8r h LEU 356 N 0.83 0.64 -0.94 0.00 5.85 -0.33 -1.48 115.31 119.88 3i8r h LEU 356 Ca 0.15 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3i8r h LEU 356 Cb 0.52 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3i8r h LEU 356 CO 0.03 0.45 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.88 3i8r h GLU 357 N 0.77 0.00 -0.37 1.25 5.08 -0.93 0.74 114.58 121.12 3i8r h GLU 357 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3i8r h GLU 357 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3i8r h GLU 357 CO -0.11 0.36 -0.22 1.96 -1.00 0.00 0.00 179.01 180.01 3i8r h GLN 358 N 0.00 0.74 -0.33 2.33 4.20 -0.90 -0.46 115.11 120.69 3i8r h GLN 358 Ca -0.00 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 3i8r h GLN 358 Cb 0.89 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3i8r h GLN 358 CO 0.05 0.89 0.06 0.00 -0.67 0.00 0.00 178.83 179.16 3i8r h ALA 359 N 1.11 0.44 -0.30 3.87 0.00 -0.43 -1.64 119.26 122.31 3i8r h ALA 359 Ca 0.09 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3i8r h ALA 359 Cb 0.72 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3i8r h ALA 359 CO 0.06 0.13 -0.06 0.28 0.00 0.00 0.00 179.25 179.65 3i8r h VAL 360 N 0.38 0.71 -0.64 0.00 2.07 -0.77 -0.76 116.25 117.24 3i8r h VAL 360 Ca 0.10 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 3i8r h VAL 360 Cb 0.34 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3i8r h VAL 360 CO 0.00 0.00 0.33 0.44 0.02 0.00 0.00 177.57 178.36 3i8r h ASP 361 N 0.01 0.45 -0.41 0.57 3.32 -0.91 0.12 116.42 119.58 3i8r h ASP 361 Ca 0.14 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3i8r h ASP 361 Cb 0.22 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3i8r h ASP 361 CO -0.30 0.29 0.14 0.00 -1.72 0.00 0.00 179.24 177.65 3i8r h ALA 362 N 1.36 0.53 -0.54 3.45 0.00 -0.84 -1.36 119.26 121.87 3i8r h ALA 362 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3i8r h ALA 362 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i8r h ALA 362 CO -0.21 0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.49 3i8r h VAL 363 N 0.51 1.26 -0.92 0.00 2.07 -0.70 -2.65 116.25 115.84 3i8r h VAL 363 Ca 0.13 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3i8r h VAL 363 Cb 0.23 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3i8r h VAL 363 CO -0.01 0.39 0.53 -0.09 0.02 0.00 0.00 177.57 178.42 3i8r h ARG 364 N 0.82 1.26 0.00 1.57 2.43 -0.62 -1.64 114.38 118.19 3i8r h ARG 364 Ca 0.15 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i8r h ARG 364 Cb 0.52 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i8r h ARG 364 CO 0.03 0.89 0.00 0.00 -1.51 0.00 0.00 179.97 179.38 3i8r h ALA 365 N 1.31 1.00 -0.00 2.80 0.00 -0.91 -0.23 119.26 123.23 3i8r h ALA 365 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i8r h ALA 365 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i8r h ALA 365 CO -0.06 0.00 -0.32 -1.13 0.00 0.00 0.00 179.25 177.74 3i8r n SER 366 N -2.47 0.53 0.00 0.00 3.41 -0.63 -4.94 113.62 109.53 3i8r n SER 366 Ca 0.01 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3i8r n SER 366 Cb 0.20 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3i8r n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8r n GLY 367 N 1.44 0.68 3.70 5.00 0.00 -0.10 -5.05 105.19 110.85 3i8r n GLY 367 Ca 0.08 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3i8r n GLY 367 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i8r s PHE 368 N -2.00 3.38 -1.63 1.61 5.36 -1.18 -4.52 117.98 119.00 3i8r s PHE 368 Ca 0.00 0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 56.33 3i8r s PHE 368 Cb 0.00 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 3i8r s PHE 368 CO 0.00 0.17 0.36 0.00 -1.46 0.00 0.00 175.22 174.29 3i8r n ALA 369 N 3.90 -0.84 -0.16 11.12 0.00 -1.26 -4.36 120.51 128.90 3i8r n ALA 369 Ca -0.14 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 3i8r n ALA 369 Cb 0.52 -3.18 0.04 0.00 0.00 0.00 0.00 19.45 16.82 3i8r n ALA 369 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i8r h GLU 370 N -0.82 0.55 0.00 0.00 5.08 -1.90 -1.84 114.58 115.64 3i8r h GLU 370 Ca -0.51 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 3i8r h GLU 370 Cb 1.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3i8r h GLU 370 CO 0.57 0.36 -0.34 0.66 -1.00 0.00 0.00 179.01 179.27 3i8r h SER 371 N 0.56 0.00 -0.62 1.42 4.64 -1.97 -2.61 113.55 114.97 3i8r h SER 371 Ca 0.20 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 3i8r h SER 371 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3i8r h SER 371 CO -0.10 0.34 0.02 0.25 -0.87 0.00 0.00 176.83 176.46 3i8r h LEU 372 N 0.00 1.05 -5.58 5.97 5.85 -1.73 -3.37 115.31 117.50 3i8r h LEU 372 Ca -0.00 -0.30 -0.72 0.00 0.84 0.00 0.00 57.88 57.70 3i8r h LEU 372 Cb 0.64 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3i8r h LEU 372 CO 0.04 1.09 2.88 0.18 -0.34 0.00 0.00 178.44 182.30 3i8r n LEU 373 N -4.20 7.99 -4.65 2.25 4.77 -0.98 -4.93 117.00 117.25 3i8r n LEU 373 Ca 0.03 -4.63 -0.43 0.00 -0.03 0.00 0.00 56.01 50.96 3i8r n LEU 373 Cb 0.34 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 3i8r n LEU 373 CO 0.44 1.89 1.30 -0.62 -1.33 0.00 0.00 177.39 179.07 3i8r s ASP 374 N 1.24 6.68 0.27 -1.43 -1.08 -1.26 -4.88 116.67 116.21 3i8r s ASP 374 Ca 0.56 1.96 0.22 0.00 -0.52 0.00 0.00 52.55 54.78 3i8r s ASP 374 Cb 0.17 -2.53 1.02 0.00 -1.46 0.00 0.00 42.92 40.12 3i8r s ASP 374 CO -0.07 -0.96 1.68 -0.81 0.52 0.00 0.00 175.17 175.54 3i8r n PRO 375 N 7.11 0.17 0.32 4.34 -0.04 -1.26 -1.57 135.00 144.07 3i8r n PRO 375 Ca 0.17 0.49 0.19 0.00 -0.04 0.00 0.00 63.50 64.31 3i8r n PRO 375 Cb 0.44 -1.89 1.06 0.00 -0.04 0.00 0.00 33.50 33.07 3i8r n PRO 375 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8r h ALA 376 N 2.18 1.26 0.00 0.55 0.00 -1.96 -1.60 119.26 119.70 3i8r h ALA 376 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8r h ALA 376 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i8r h ALA 376 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 3i8r h LEU 377 N 0.00 0.00 -9.54 0.00 3.38 -1.68 -3.45 115.31 104.02 3i8r h LEU 377 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3i8r h LEU 377 Cb 0.01 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.83 3i8r h LEU 377 CO 0.00 0.00 0.65 0.59 0.09 0.00 0.00 178.44 179.77 3i8r n ASN 378 N -2.44 2.75 -0.02 -0.43 5.03 -0.60 -4.89 115.26 114.66 3i8r n ASN 378 Ca 0.04 1.12 0.03 0.00 0.87 0.00 0.00 54.58 56.65 3i8r n ASN 378 Cb 0.37 -1.41 -0.10 0.00 -1.02 0.00 0.00 39.78 37.62 3i8r n ASN 378 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8r n ARG 379 N 2.45 0.78 -0.31 3.52 5.12 -1.26 -4.75 116.66 122.21 3i8r n ARG 379 Ca 0.14 -0.09 -0.03 0.00 -1.93 0.00 0.00 57.85 55.94 3i8r n ARG 379 Cb 0.30 -1.30 0.09 0.00 -1.16 0.00 0.00 32.46 30.40 3i8r n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8r h ALA 380 N 1.00 1.08 -0.05 7.54 0.00 -1.90 -0.27 119.26 126.67 3i8r h ALA 380 Ca -0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3i8r h ALA 380 Cb 0.83 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3i8r h ALA 380 CO 0.00 0.41 -0.77 0.93 0.00 0.00 0.00 179.25 179.82 3i8r h GLU 381 N 1.08 0.34 -0.53 0.00 4.39 -1.98 -1.94 114.58 115.95 3i8r h GLU 381 Ca 0.32 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3i8r h GLU 381 Cb -0.05 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3i8r h GLU 381 CO -0.09 0.96 0.21 0.28 -1.16 0.00 0.00 179.01 179.21 3i8r h VAL 382 N 0.22 1.22 -0.66 3.13 2.07 -1.77 -2.09 116.25 118.36 3i8r h VAL 382 Ca -0.04 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.83 3i8r h VAL 382 Cb 1.36 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3i8r h VAL 382 CO 0.13 0.26 0.43 -0.07 0.02 0.00 0.00 177.57 178.33 3i8r h LEU 383 N 0.71 0.73 -1.09 2.57 3.38 -0.80 -0.22 115.31 120.59 3i8r h LEU 383 Ca 0.18 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3i8r h LEU 383 Cb 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3i8r h LEU 383 CO -0.01 0.52 0.62 0.00 0.09 0.00 0.00 178.44 179.65 3i8r h ALA 384 N 1.26 1.43 -0.34 1.53 0.00 -1.09 0.37 119.26 122.42 3i8r h ALA 384 Ca 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3i8r h ALA 384 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3i8r h ALA 384 CO -0.07 0.46 0.10 0.00 0.00 0.00 0.00 179.25 179.73 3i8r h ARG 385 N 1.15 0.53 -0.62 0.00 3.08 -0.63 -0.28 114.38 117.60 3i8r h ARG 385 Ca 0.39 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.38 3i8r h ARG 385 Cb 0.08 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 3i8r h ARG 385 CO -0.13 0.57 0.32 -0.44 -1.07 0.00 0.00 179.97 179.22 3i8r h ASP 386 N 0.39 0.44 -0.45 7.04 3.45 -0.62 -1.84 116.42 124.83 3i8r h ASP 386 Ca 0.11 0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.56 3i8r h ASP 386 Cb 0.27 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3i8r h ASP 386 CO -0.00 0.28 0.11 -0.07 -1.57 0.00 0.00 179.24 177.99 3i8r h LEU 387 N 0.58 0.74 -1.44 1.55 3.38 -0.66 0.23 115.31 119.69 3i8r h LEU 387 Ca 0.29 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3i8r h LEU 387 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3i8r h LEU 387 CO -0.21 0.74 0.40 0.44 0.09 0.00 0.00 178.44 179.91 3i8r h ASP 388 N 0.76 0.63 0.10 -0.43 3.32 -0.69 -0.12 116.42 119.99 3i8r h ASP 388 Ca 0.17 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3i8r h ASP 388 Cb 0.30 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.71 3i8r h ASP 388 CO 0.00 0.44 -0.72 0.11 -1.72 0.00 0.00 179.24 177.35 3i8r h LYS 389 N 0.74 0.20 -0.62 3.56 1.57 -0.69 0.18 116.57 121.51 3i8r h LYS 389 Ca 0.24 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3i8r h LYS 389 Cb 0.06 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3i8r h LYS 389 CO -0.06 1.17 0.34 -0.07 -0.57 0.00 0.00 179.45 180.25 3i8r h LEU 390 N -0.55 0.51 -0.04 2.94 3.38 -0.45 -2.96 115.31 118.14 3i8r h LEU 390 Ca -0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3i8r h LEU 390 Cb 1.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3i8r h LEU 390 CO 0.08 0.34 -0.63 0.59 0.09 0.00 0.00 178.44 178.92 3i8r n ASN 391 N -4.80 0.69 0.00 -0.43 3.02 -0.07 -4.99 115.26 108.68 3i8r n ASN 391 Ca 0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3i8r n ASN 391 Cb 0.15 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3i8r n ASN 391 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8r n GLY 392 N 1.49 0.39 3.54 7.41 0.00 0.60 -4.93 105.19 113.69 3i8r n GLY 392 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3i8r n GLY 392 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8r s SER 393 N -2.20 -0.36 0.00 1.61 0.15 -1.04 -4.99 113.70 106.87 3i8r s SER 393 Ca 0.00 -0.34 0.22 0.00 0.70 0.00 0.00 55.95 56.53 3i8r s SER 393 Cb 0.00 0.61 0.99 0.00 -1.71 0.00 0.00 66.02 65.91 3i8r s SER 393 CO 0.00 -1.07 1.71 -1.54 1.20 0.00 0.00 173.24 173.54 3i8r n SER 394 N -0.37 0.00 0.28 5.45 3.41 -1.26 -4.35 113.62 116.78 3i8r n SER 394 Ca -0.11 0.37 0.18 0.00 -0.26 0.00 0.00 58.87 59.05 3i8r n SER 394 Cb 0.63 -0.45 0.78 0.00 -0.26 0.00 0.00 64.21 64.91 3i8r n SER 394 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3i8r h GLU 395 N 0.00 0.00 -0.16 4.33 4.11 -1.96 -2.73 114.58 118.18 3i8r h GLU 395 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 3i8r h GLU 395 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3i8r h GLU 395 CO 0.00 0.00 0.40 0.11 0.07 0.00 0.00 179.01 179.59 3i8r h TRP 396 N 0.00 0.00 -0.62 2.06 5.08 -1.95 0.66 115.95 121.18 3i8r h TRP 396 Ca 0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 3i8r h TRP 396 Cb 0.40 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.53 3i8r h TRP 396 CO 0.00 0.00 0.42 0.00 -1.28 0.00 0.00 178.44 177.58 3i8r h ARG 397 N 0.00 0.35 -0.00 0.12 3.08 -1.85 -1.47 114.38 114.61 3i8r h ARG 397 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i8r h ARG 397 Cb 0.88 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3i8r h ARG 397 CO -0.00 0.23 -0.09 0.43 -1.07 0.00 0.00 179.97 179.48 3i8r n SER 398 N -4.46 0.43 -0.02 7.04 7.64 0.22 -4.36 113.62 120.10 3i8r n SER 398 Ca 0.11 -0.60 0.01 0.00 1.01 0.00 0.00 58.87 59.40 3i8r n SER 398 Cb 0.43 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.47 3i8r n SER 398 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i8r n ARG 399 N -0.95 1.27 -2.69 1.43 1.85 -0.59 -5.07 116.66 111.92 3i8r n ARG 399 Ca 0.15 -0.05 -0.33 0.00 -1.00 0.00 0.00 57.85 56.63 3i8r n ARG 399 Cb 0.26 -1.21 -0.06 0.00 -1.05 0.00 0.00 32.46 30.40 3i8r n ARG 399 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 3i8r s ILE 400 N -2.45 4.41 -0.05 8.89 2.07 -0.99 -5.06 121.20 128.02 3i8r s ILE 400 Ca -0.04 1.40 -0.18 0.00 -1.41 0.00 0.00 60.65 60.42 3i8r s ILE 400 Cb 0.04 -3.63 0.04 0.00 0.13 0.00 0.00 42.46 39.04 3i8r s ILE 400 CO 0.36 -0.42 0.42 0.28 -1.91 0.00 0.00 174.94 173.67 3i8r s THR 401 N -2.30 0.03 0.22 4.00 -1.32 -1.26 -5.06 115.64 109.96 3i8r s THR 401 Ca 0.61 -0.28 -0.32 0.00 -1.21 0.00 0.00 61.69 60.50 3i8r s THR 401 Cb -0.10 -0.70 -0.12 0.00 -1.51 0.00 0.00 72.50 70.08 3i8r s THR 401 CO 0.18 -0.15 1.71 0.00 -2.21 0.00 0.00 174.62 174.15 3i8r s ALA 402 N -0.99 3.92 1.00 11.08 0.00 -1.26 -4.97 121.76 130.54 3i8r s ALA 402 Ca -0.10 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 3i8r s ALA 402 Cb -0.04 -3.69 0.19 0.00 0.00 0.00 0.00 23.12 19.58 3i8r s ALA 402 CO 0.05 -0.93 1.09 -1.54 0.00 0.00 0.00 175.76 174.42 3i8r s SER 403 N 1.09 2.60 0.30 0.00 1.04 -1.26 -4.65 113.70 112.81 3i8r s SER 403 Ca 0.73 1.28 0.05 0.00 0.48 0.00 0.00 55.95 58.49 3i8r s SER 403 Cb -0.49 -1.95 0.69 0.00 0.10 0.00 0.00 66.02 64.36 3i8r s SER 403 CO 0.34 -3.16 1.80 -0.65 0.98 0.00 0.00 173.24 172.55 3i8r h PRO 404 N -1.91 0.81 -0.66 4.02 0.11 -1.94 0.16 132.00 132.58 3i8r h PRO 404 Ca -0.54 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 3i8r h PRO 404 Cb 1.32 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3i8r h PRO 404 CO 0.56 0.53 0.22 0.00 -0.21 0.00 0.00 178.00 179.10 3i8r h ALA 405 N 1.61 0.87 -0.03 -0.75 0.00 -1.91 -2.41 119.26 116.63 3i8r h ALA 405 Ca 0.55 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3i8r h ALA 405 Cb 0.77 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i8r h ALA 405 CO -0.33 0.53 -0.50 0.28 0.00 0.00 0.00 179.25 179.23 3i8r h VAL 406 N 0.96 1.36 -0.84 0.00 2.07 -1.48 -0.35 116.25 117.96 3i8r h VAL 406 Ca 0.21 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3i8r h VAL 406 Cb 0.28 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3i8r h VAL 406 CO -0.01 0.50 0.52 0.40 0.02 0.00 0.00 177.57 179.00 3i8r h ILE 407 N 0.07 1.23 -0.48 4.57 2.04 -0.30 0.14 117.51 124.77 3i8r h ILE 407 Ca 0.00 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 3i8r h ILE 407 Cb 0.91 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3i8r h ILE 407 CO 0.07 0.24 -0.12 0.44 0.00 0.00 0.00 178.15 178.77 3i8r h ASP 408 N 1.15 0.95 0.11 1.72 3.45 -1.16 0.97 116.42 123.61 3i8r h ASP 408 Ca 0.30 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 3i8r h ASP 408 Cb -0.06 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.45 3i8r h ASP 408 CO -0.06 1.09 -0.05 0.22 -1.57 0.00 0.00 179.24 178.87 3i8r h TYR 409 N 0.79 -0.14 -0.95 4.55 5.03 -0.67 -1.39 116.97 124.20 3i8r h TYR 409 Ca 0.12 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.52 3i8r h TYR 409 Cb 0.68 0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.93 3i8r h TYR 409 CO 0.05 0.14 0.59 0.28 -1.32 0.00 0.00 178.16 177.90 3i8r h VAL 410 N -0.41 0.99 -0.79 1.81 2.07 -0.70 -0.57 116.25 118.64 3i8r h VAL 410 Ca -0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3i8r h VAL 410 Cb 0.34 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 3i8r h VAL 410 CO 0.02 0.18 0.33 0.78 0.02 0.00 0.00 177.57 178.91 3i8r h ASN 411 N 1.01 1.09 -0.31 0.57 2.35 -0.49 -0.64 115.58 119.16 3i8r h ASN 411 Ca 0.44 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3i8r h ASN 411 Cb 0.31 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3i8r h ASN 411 CO -0.22 0.95 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.41 3i8r h ARG 412 N 1.15 0.57 -0.16 0.81 9.65 -0.76 -1.47 114.38 124.16 3i8r h ARG 412 Ca 0.27 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3i8r h ARG 412 Cb 0.20 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3i8r h ARG 412 CO -0.02 0.72 0.04 -0.07 2.80 0.00 0.00 179.97 183.44 3i8r h LEU 413 N 0.36 0.20 -0.53 3.80 3.38 -0.65 -0.23 115.31 121.65 3i8r h LEU 413 Ca 0.09 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3i8r h LEU 413 Cb 0.47 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3i8r h LEU 413 CO 0.02 0.20 -0.71 -0.33 0.09 0.00 0.00 178.44 177.72 3i8r h GLU 414 N 0.22 0.00 -0.27 1.13 5.08 -0.96 -1.00 114.58 118.78 3i8r h GLU 414 Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3i8r h GLU 414 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i8r h GLU 414 CO -0.00 0.71 -0.37 1.49 -1.00 0.00 0.00 179.01 179.84 3i8r h GLU 415 N 0.00 0.73 -0.61 2.33 4.81 -0.61 -0.18 114.58 121.06 3i8r h GLU 415 Ca -0.01 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3i8r h GLU 415 Cb 1.29 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 3i8r h GLU 415 CO 0.09 1.04 0.40 0.82 -0.73 0.00 0.00 179.01 180.63 3i8r h ILE 416 N 0.48 1.16 0.17 2.32 2.04 -0.91 0.10 117.51 122.87 3i8r h ILE 416 Ca 0.03 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3i8r h ILE 416 Cb 0.95 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3i8r h ILE 416 CO 0.09 0.15 -0.12 -0.09 0.00 0.00 0.00 178.15 178.18 3i8r h ARG 417 N 0.82 -0.28 -0.65 2.37 2.43 -0.99 0.13 114.38 118.21 3i8r h ARG 417 Ca 0.22 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3i8r h ARG 417 Cb -0.09 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3i8r h ARG 417 CO -0.05 -0.19 0.22 -0.44 -1.51 0.00 0.00 179.97 178.00 3i8r h ASP 418 N -0.29 0.94 1.44 -3.80 3.32 -0.68 -2.32 116.42 115.03 3i8r h ASP 418 Ca -0.01 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3i8r h ASP 418 Cb 0.25 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3i8r h ASP 418 CO -0.00 0.89 -0.04 0.59 -1.72 0.00 0.00 179.24 178.96 3i8r n ASN 419 N -4.36 0.80 -3.63 6.45 3.02 0.33 -4.96 115.26 112.91 3i8r n ASN 419 Ca 0.04 0.55 -0.27 0.00 -0.03 0.00 0.00 54.58 54.87 3i8r n ASN 419 Cb 0.21 -0.73 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 3i8r n ASN 419 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i8r n VAL 420 N -2.25 -6.02 -2.87 2.41 0.31 0.35 -4.87 118.33 105.38 3i8r n VAL 420 Ca 0.05 -0.93 -0.43 0.00 -0.01 0.00 0.00 64.34 63.02 3i8r n VAL 420 Cb 0.43 -4.51 -0.03 0.00 -0.91 0.00 0.00 33.84 28.82 3i8r n VAL 420 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8r s ASP 421 N -3.65 6.50 0.05 4.52 -1.08 -0.60 -4.89 116.67 117.51 3i8r s ASP 421 Ca 0.37 -1.72 -0.26 0.00 -0.52 0.00 0.00 52.55 50.42 3i8r s ASP 421 Cb -0.11 -2.42 -0.17 0.00 -1.46 0.00 0.00 42.92 38.76 3i8r s ASP 421 CO 0.84 -1.20 1.51 1.23 0.52 0.00 0.00 175.17 178.07 3i8r h GLY 422 N 10.87 -0.30 0.91 2.66 0.00 -1.89 -0.85 103.07 114.47 3i8r h GLY 422 Ca 0.05 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3i8r h GLY 422 CO 1.16 -0.11 0.56 -2.55 0.00 0.00 0.00 176.54 175.60 3i8r h PRO 423 N -0.45 1.07 -0.56 4.80 0.11 -1.91 -0.60 132.00 134.47 3i8r h PRO 423 Ca -0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3i8r h PRO 423 Cb 0.34 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3i8r h PRO 423 CO 0.05 0.71 0.29 0.00 -0.21 0.00 0.00 178.00 178.84 3i8r h ALA 424 N 1.35 0.71 -0.78 -0.75 0.00 -1.84 -2.25 119.26 115.71 3i8r h ALA 424 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i8r h ALA 424 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3i8r h ALA 424 CO -0.11 0.25 0.49 1.25 0.00 0.00 0.00 179.25 181.14 3i8r h LEU 425 N 0.75 0.92 -1.09 0.00 7.12 -0.53 -2.38 115.31 120.11 3i8r h LEU 425 Ca 0.19 -0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 3i8r h LEU 425 Cb 0.07 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 3i8r h LEU 425 CO -0.03 0.69 0.13 0.58 -0.13 0.00 0.00 178.44 179.69 3i8r h VAL 426 N 1.06 1.22 -0.39 1.05 2.07 -0.68 0.59 116.25 121.17 3i8r h VAL 426 Ca 0.28 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3i8r h VAL 426 Cb -0.07 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3i8r h VAL 426 CO -0.06 0.29 0.21 0.00 0.02 0.00 0.00 177.57 178.04 3i8r h ALA 427 N 1.39 0.50 -0.10 1.67 0.00 -0.94 -0.56 119.26 121.22 3i8r h ALA 427 Ca 0.17 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3i8r h ALA 427 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i8r h ALA 427 CO -0.00 0.02 -0.51 0.45 0.00 0.00 0.00 179.25 179.21 3i8r h HIS 428 N 0.50 0.32 -0.36 0.00 -0.00 -0.89 -1.95 115.15 112.78 3i8r h HIS 428 Ca 0.14 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 3i8r h HIS 428 Cb 0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3i8r h HIS 428 CO -0.03 0.72 0.07 1.25 -0.00 0.00 0.00 177.93 179.95 3i8r h HIS 429 N 0.21 0.62 -0.35 2.45 6.17 -0.43 -2.06 115.15 121.76 3i8r h HIS 429 Ca 0.01 -0.08 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 3i8r h HIS 429 Cb 0.97 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.72 3i8r h HIS 429 CO 0.02 0.63 0.15 -0.92 0.71 0.00 0.00 177.93 178.52 3i8r h TYR 430 N 0.43 0.52 -0.71 5.26 3.20 -0.91 0.17 116.97 124.94 3i8r h TYR 430 Ca 0.11 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3i8r h TYR 430 Cb 0.33 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3i8r h TYR 430 CO 0.02 0.47 0.26 0.28 -1.64 0.00 0.00 178.16 177.55 3i8r h VAL 431 N 0.42 1.25 0.00 1.81 2.07 -1.24 -1.83 116.25 118.73 3i8r h VAL 431 Ca 0.12 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3i8r h VAL 431 Cb 0.15 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3i8r h VAL 431 CO -0.01 0.32 -0.58 0.03 0.02 0.00 0.00 177.57 177.35 3i8r h ARG 432 N 1.03 0.00 -0.16 1.57 2.47 -1.31 -3.35 114.38 114.63 3i8r h ARG 432 Ca 0.23 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.77 3i8r h ARG 432 Cb 0.23 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3i8r h ARG 432 CO -0.02 0.24 -0.64 1.88 0.56 0.00 0.00 179.97 181.99 3i8r h TYR 433 N -1.00 0.76 0.00 3.04 0.05 -0.69 -1.05 116.97 118.08 3i8r h TYR 433 Ca -0.07 -0.30 -0.12 0.00 0.05 0.00 0.00 58.73 58.29 3i8r h TYR 433 Cb 0.62 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3i8r h TYR 433 CO -0.11 1.07 -0.56 1.25 -1.05 0.00 0.00 178.16 178.76 3i8r h LEU 434 N 0.43 0.00 -0.24 3.88 5.85 -1.43 -0.99 115.31 122.81 3i8r h LEU 434 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3i8r h LEU 434 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3i8r h LEU 434 CO 0.12 0.56 -0.00 1.23 -0.34 0.00 0.00 178.44 180.02 3i8r h GLY 435 N 2.23 0.45 1.72 3.75 0.00 -1.60 -2.88 103.07 106.74 3i8r h GLY 435 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3i8r h GLY 435 CO 0.07 0.31 0.11 -0.55 0.00 0.00 0.00 176.54 176.48 3i8r h ASP 436 N 0.19 0.32 0.57 0.19 3.45 -0.59 -0.17 116.42 120.39 3i8r h ASP 436 Ca 0.07 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3i8r h ASP 436 Cb 0.41 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 3i8r h ASP 436 CO 0.01 0.30 -0.02 0.18 -1.57 0.00 0.00 179.24 178.14 3i8r n LEU 437 N -4.43 0.06 0.00 1.55 4.77 -0.43 -3.46 117.00 115.06 3i8r n LEU 437 Ca 0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3i8r n LEU 437 Cb 0.12 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3i8r n LEU 437 CO 0.36 0.01 0.00 -1.20 -1.33 0.00 0.00 177.39 175.23 3i8r n SER 438 N -1.27 0.00 0.02 -1.43 7.64 -0.22 -4.78 113.62 113.58 3i8r n SER 438 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.09 3i8r n SER 438 Cb 0.25 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.94 3i8r n SER 438 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3i8r h GLY 439 N 0.00 0.47 1.02 0.23 0.00 -1.59 -1.53 103.07 101.67 3i8r h GLY 439 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.29 3i8r h GLY 439 CO 0.00 0.14 0.38 -1.33 0.00 0.00 0.00 176.54 175.73 3i8r h GLY 440 N 0.41 0.31 1.55 4.60 0.00 -1.21 -0.38 103.07 108.35 3i8r h GLY 440 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 3i8r h GLY 440 CO -0.04 0.04 -0.02 1.46 0.00 0.00 0.00 176.54 177.99 3i8r h GLN 441 N 0.21 0.56 0.03 4.80 1.08 -1.30 -1.87 115.11 118.62 3i8r h GLN 441 Ca 0.26 -0.13 -0.21 0.00 -1.45 0.00 0.00 58.65 57.11 3i8r h GLN 441 Cb 0.74 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 3i8r h GLN 441 CO -0.05 0.60 -1.00 -0.24 -0.95 0.00 0.00 178.83 177.20 3i8r h VAL 442 N 0.54 1.61 -0.90 -0.54 3.04 -1.21 -3.22 116.25 115.57 3i8r h VAL 442 Ca 0.11 -3.08 0.06 0.00 -1.01 0.00 0.00 66.70 62.78 3i8r h VAL 442 Cb 0.37 2.73 -0.06 0.00 -2.01 0.00 0.00 31.29 32.32 3i8r h VAL 442 CO 0.01 0.89 0.57 0.40 -1.01 0.00 0.00 177.57 178.43 3i8r h ILE 443 N 0.04 1.08 -0.73 3.17 2.04 -0.94 -1.52 117.51 120.65 3i8r h ILE 443 Ca -0.04 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3i8r h ILE 443 Cb 1.70 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3i8r h ILE 443 CO 0.14 0.19 0.44 0.00 0.00 0.00 0.00 178.15 178.93 3i8r h ALA 444 N 1.41 0.97 -0.56 1.87 0.00 -1.36 -1.36 119.26 120.24 3i8r h ALA 444 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3i8r h ALA 444 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3i8r h ALA 444 CO -0.16 0.18 0.32 0.00 0.00 0.00 0.00 179.25 179.59 3i8r h ARG 445 N 0.83 0.75 -0.33 0.00 3.08 -1.38 -2.16 114.38 115.17 3i8r h ARG 445 Ca 0.31 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.14 3i8r h ARG 445 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3i8r h ARG 445 CO -0.15 0.54 -0.41 0.52 -1.07 0.00 0.00 179.97 179.41 3i8r h MET 446 N 0.77 0.81 -0.15 0.04 2.86 -0.34 -1.38 114.93 117.53 3i8r h MET 446 Ca 0.20 -0.43 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 3i8r h MET 446 Cb -0.01 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3i8r h MET 446 CO -0.04 1.06 -0.45 0.52 1.06 0.00 0.00 176.91 179.06 3i8r h MET 447 N 0.66 0.37 -0.24 1.72 2.86 -0.97 0.17 114.93 119.49 3i8r h MET 447 Ca 0.05 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3i8r h MET 447 Cb 0.97 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3i8r h MET 447 CO 0.09 0.75 0.12 1.96 1.06 0.00 0.00 176.91 180.89 3i8r h GLN 448 N 0.30 0.34 0.13 1.72 4.20 -1.27 -1.64 115.11 118.90 3i8r h GLN 448 Ca 0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3i8r h GLN 448 Cb 0.92 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3i8r h GLN 448 CO 0.08 0.35 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.43 3i8r h ARG 449 N 0.26 -0.17 -0.25 1.46 2.43 -1.04 -1.03 114.38 116.04 3i8r h ARG 449 Ca 0.08 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3i8r h ARG 449 Cb 0.12 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3i8r h ARG 449 CO -0.01 0.27 -0.39 0.45 -1.51 0.00 0.00 179.97 178.78 3i8r h HIS 450 N -0.69 0.69 -0.00 2.20 3.86 -0.75 -3.36 115.15 117.10 3i8r h HIS 450 Ca -0.02 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3i8r h HIS 450 Cb 0.51 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3i8r h HIS 450 CO 0.08 0.89 -0.03 0.66 0.86 0.00 0.00 177.93 180.38 3i8r n TYR 451 N -4.04 0.00 -1.24 2.45 0.53 -0.62 -4.99 117.16 109.25 3i8r n TYR 451 Ca -0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.78 3i8r n TYR 451 Cb 0.51 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.78 3i8r n TYR 451 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i8r n GLY 452 N 0.41 0.97 3.76 2.72 0.00 -0.39 -4.81 105.19 107.85 3i8r n GLY 452 Ca 0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3i8r n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8r s VAL 453 N -2.17 2.05 0.42 1.61 1.01 -1.18 -4.94 120.40 117.19 3i8r s VAL 453 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 3i8r s VAL 453 Cb 0.00 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 3i8r s VAL 453 CO 0.00 0.01 1.01 -1.81 0.00 0.00 0.00 175.10 174.31 3i8r s ASP 454 N 0.30 6.74 0.61 3.32 1.01 -1.26 -4.29 116.67 123.11 3i8r s ASP 454 Ca 0.60 1.91 0.33 0.00 0.71 0.00 0.00 52.55 56.10 3i8r s ASP 454 Cb -0.48 -2.57 1.91 0.00 1.01 0.00 0.00 42.92 42.80 3i8r s ASP 454 CO 0.53 -0.50 2.24 -0.65 0.21 0.00 0.00 175.17 177.00 3i8r h PRO 455 N 2.18 0.00 0.00 8.23 0.11 -1.97 -1.42 132.00 139.13 3i8r h PRO 455 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i8r h PRO 455 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i8r h PRO 455 CO 0.61 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.33 3i8r h GLU 456 N 0.00 0.00 -0.59 1.05 3.07 -2.02 -1.52 114.58 114.57 3i8r h GLU 456 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3i8r h GLU 456 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3i8r h GLU 456 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3i8r n ALA 457 N -2.00 2.43 -1.57 3.43 0.00 -0.54 -4.30 120.51 117.97 3i8r n ALA 457 Ca -0.00 -1.33 0.07 0.00 0.00 0.00 0.00 53.44 52.17 3i8r n ALA 457 Cb 0.19 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 19.02 3i8r n ALA 457 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8r n LEU 458 N 1.17 2.31 -0.02 0.00 4.77 -0.57 -4.79 117.00 119.86 3i8r n LEU 458 Ca 0.21 -3.36 0.20 0.00 -0.03 0.00 0.00 56.01 53.03 3i8r n LEU 458 Cb 0.61 -0.42 0.68 0.00 -2.33 0.00 0.00 43.42 41.95 3i8r n LEU 458 CO 0.15 1.07 1.19 1.23 -1.33 0.00 0.00 177.39 179.71 3i8r h GLY 459 N 0.69 0.06 0.27 -0.72 0.00 -1.75 -1.82 103.07 99.80 3i8r h GLY 459 Ca -0.02 -0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.45 3i8r h GLY 459 CO 0.01 0.01 0.57 -2.75 0.00 0.00 0.00 176.54 174.38 3i8r h PHE 460 N 0.03 1.02 -0.00 5.60 3.57 -1.87 -0.94 116.94 124.36 3i8r h PHE 460 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3i8r h PHE 460 Cb 1.04 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.47 3i8r h PHE 460 CO -0.00 0.30 -0.06 0.66 -2.23 0.00 0.00 178.31 176.97 3i8r n TYR 461 N -4.74 0.00 -4.02 0.41 4.02 -0.68 -4.79 117.16 107.35 3i8r n TYR 461 Ca 0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.74 3i8r n TYR 461 Cb 0.46 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.43 3i8r n TYR 461 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3i8r s HIS 462 N -2.53 3.10 -0.45 -0.72 2.46 -0.36 -4.77 115.29 112.03 3i8r s HIS 462 Ca 0.28 -0.28 -0.13 0.00 0.47 0.00 0.00 55.06 55.41 3i8r s HIS 462 Cb 0.20 -2.11 0.07 0.00 -0.13 0.00 0.00 32.58 30.62 3i8r s HIS 462 CO 0.47 -0.13 0.34 -0.06 -2.47 0.00 0.00 174.74 172.88 3i8r s PHE 463 N 0.90 3.28 0.07 3.88 0.40 -1.26 -4.95 117.98 120.30 3i8r s PHE 463 Ca 0.02 -1.15 -0.34 0.00 -0.60 0.00 0.00 56.93 54.87 3i8r s PHE 463 Cb -0.14 -3.05 -0.13 0.00 0.51 0.00 0.00 43.02 40.21 3i8r s PHE 463 CO 0.02 -0.81 1.68 0.39 0.70 0.00 0.00 175.22 177.21 3i8r n GLU 464 N 5.09 2.13 -1.00 0.44 -0.58 -1.26 -1.44 120.64 124.01 3i8r n GLU 464 Ca -0.11 0.77 -0.00 0.00 -0.42 0.00 0.00 57.16 57.40 3i8r n GLU 464 Cb 0.44 -2.57 -0.00 0.00 -0.57 0.00 0.00 31.44 28.74 3i8r n GLU 464 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8r n GLY 465 N 3.75 0.44 3.00 0.62 0.00 -1.26 -4.98 105.19 106.75 3i8r n GLY 465 Ca 0.19 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3i8r n GLY 465 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8r s ILE 466 N -1.88 2.99 -0.05 -0.61 1.01 -0.52 -4.95 121.20 117.19 3i8r s ILE 466 Ca 0.00 -3.28 -0.22 0.00 0.00 0.00 0.00 60.65 57.15 3i8r s ILE 466 Cb 0.00 -3.02 -0.29 0.00 0.01 0.00 0.00 42.46 39.16 3i8r s ILE 466 CO 0.00 -0.84 0.92 0.00 0.00 0.00 0.00 174.94 175.02 3i8r h ALA 467 N 6.59 -0.05 -2.43 9.38 0.00 -1.94 -3.40 119.26 127.41 3i8r h ALA 467 Ca -0.04 -0.65 -0.77 0.00 0.00 0.00 0.00 54.91 53.45 3i8r h ALA 467 Cb 0.90 0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.53 3i8r h ALA 467 CO 0.70 0.33 0.51 0.15 0.00 0.00 0.00 179.25 180.93 3i8r s LYS 468 N -2.57 3.84 0.48 0.00 1.02 -1.26 -4.83 119.74 116.42 3i8r s LYS 468 Ca -0.14 -2.57 0.19 0.00 0.02 0.00 0.00 55.97 53.47 3i8r s LYS 468 Cb 0.01 -4.64 1.20 0.00 -0.52 0.00 0.00 37.83 33.88 3i8r s LYS 468 CO 0.81 -1.43 2.05 -0.07 -0.92 0.00 0.00 175.35 175.79 3i8r h LEU 469 N 8.22 0.00 -0.47 3.17 3.38 -1.96 -0.62 115.31 127.03 3i8r h LEU 469 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3i8r h LEU 469 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3i8r h LEU 469 CO 0.96 0.14 -0.01 0.11 0.09 0.00 0.00 178.44 179.73 3i8r h LYS 470 N 0.00 0.83 -0.22 1.13 1.79 -1.95 -0.09 116.57 118.06 3i8r h LYS 470 Ca -0.00 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 3i8r h LYS 470 Cb 0.27 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3i8r h LYS 470 CO 0.02 0.88 -0.13 0.28 -1.08 0.00 0.00 179.45 179.42 3i8r h VAL 471 N 0.68 1.31 -0.59 0.50 2.07 -1.77 -0.99 116.25 117.47 3i8r h VAL 471 Ca 0.13 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 3i8r h VAL 471 Cb 0.52 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3i8r h VAL 471 CO 0.03 0.38 -0.00 0.22 0.02 0.00 0.00 177.57 178.21 3i8r h TYR 472 N 0.18 1.13 -0.74 1.57 3.20 -0.93 -0.63 116.97 120.76 3i8r h TYR 472 Ca 0.05 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 3i8r h TYR 472 Cb 0.64 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3i8r h TYR 472 CO 0.07 1.01 0.27 0.87 -1.64 0.00 0.00 178.16 178.73 3i8r h LYS 473 N 0.93 1.12 -0.60 1.82 1.57 -0.94 0.69 116.57 121.16 3i8r h LYS 473 Ca 0.17 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3i8r h LYS 473 Cb 0.56 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i8r h LYS 473 CO 0.03 0.92 -0.02 0.22 -0.57 0.00 0.00 179.45 180.03 3i8r h ASP 474 N 1.08 1.05 -0.40 0.86 3.58 -0.80 -0.92 116.42 120.88 3i8r h ASP 474 Ca 0.24 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 3i8r h ASP 474 Cb 0.25 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3i8r h ASP 474 CO -0.02 1.11 -0.09 -0.33 -2.88 0.00 0.00 179.24 177.03 3i8r h GLU 475 N 0.97 0.85 -0.47 0.28 5.08 -0.75 0.65 114.58 121.18 3i8r h GLU 475 Ca 0.17 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3i8r h GLU 475 Cb 0.59 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3i8r h GLU 475 CO 0.04 0.90 0.06 -0.92 -1.00 0.00 0.00 179.01 178.09 3i8r h TYR 476 N 0.77 0.85 -0.71 4.33 5.03 -0.61 -0.54 116.97 126.09 3i8r h TYR 476 Ca 0.13 -0.12 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 3i8r h TYR 476 Cb 0.59 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 3i8r h TYR 476 CO 0.03 0.79 0.26 0.00 -1.32 0.00 0.00 178.16 177.92 3i8r h ARG 477 N 0.66 1.08 -0.43 1.82 3.08 -0.87 -1.28 114.38 118.45 3i8r h ARG 477 Ca 0.14 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3i8r h ARG 477 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3i8r h ARG 477 CO 0.01 0.91 -0.01 0.93 -1.07 0.00 0.00 179.97 180.73 3i8r h GLU 478 N 1.03 0.70 -0.90 0.04 4.39 -0.71 -0.91 114.58 118.22 3i8r h GLU 478 Ca 0.23 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3i8r h GLU 478 Cb 0.25 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3i8r h GLU 478 CO -0.01 0.72 0.49 0.87 -1.16 0.00 0.00 179.01 179.92 3i8r h LYS 479 N 0.66 1.25 -0.19 2.33 1.57 -0.58 -0.80 116.57 120.80 3i8r h LYS 479 Ca 0.13 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3i8r h LYS 479 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i8r h LYS 479 CO 0.02 0.91 0.04 -0.07 -0.57 0.00 0.00 179.45 179.78 3i8r h LEU 480 N 1.25 0.29 -2.07 2.94 3.38 -0.81 -2.26 115.31 118.03 3i8r h LEU 480 Ca 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3i8r h LEU 480 Cb 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i8r h LEU 480 CO -0.05 0.46 -0.07 0.78 0.09 0.00 0.00 178.44 179.65 3i8r h ASN 481 N 0.12 0.00 -0.22 -0.43 2.35 -0.87 -2.80 115.58 113.73 3i8r h ASN 481 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i8r h ASN 481 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3i8r h ASN 481 CO 0.00 0.07 0.00 0.59 -1.65 0.00 0.00 177.43 176.44 3i8r n ASN 482 N -3.99 3.24 -4.71 5.81 3.02 -0.33 -4.74 115.26 113.56 3i8r n ASN 482 Ca -0.03 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 3i8r n ASN 482 Cb 0.16 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3i8r n ASN 482 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i8r s LEU 483 N -1.74 4.35 -0.19 3.41 2.96 -0.89 -4.96 118.68 121.61 3i8r s LEU 483 Ca 0.34 2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 55.99 3i8r s LEU 483 Cb 0.22 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3i8r s LEU 483 CO 0.31 -0.55 1.01 -0.70 -1.32 0.00 0.00 176.35 175.11 3i8r s GLU 484 N 1.45 4.31 -0.01 1.98 2.12 -1.26 -5.01 118.70 122.27 3i8r s GLU 484 Ca 0.60 1.34 0.02 0.00 0.36 0.00 0.00 54.97 57.28 3i8r s GLU 484 Cb -0.30 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.49 3i8r s GLU 484 CO 0.28 -0.52 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.91 3i8r s LEU 485 N 2.80 1.83 0.89 2.70 1.43 -1.26 -5.08 118.68 121.99 3i8r s LEU 485 Ca 0.45 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 3i8r s LEU 485 Cb -0.16 -0.36 0.13 0.00 0.03 0.00 0.00 46.19 45.83 3i8r s LEU 485 CO 0.10 0.04 1.11 -0.94 0.23 0.00 0.00 176.35 176.90 3i8r s SER 486 N 0.12 3.62 0.31 2.29 1.04 -1.26 -4.80 113.70 115.02 3i8r s SER 486 Ca -0.01 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 57.55 3i8r s SER 486 Cb -0.06 -1.78 0.48 0.00 0.10 0.00 0.00 66.02 64.77 3i8r s SER 486 CO -0.00 -2.50 1.98 0.44 0.98 0.00 0.00 173.24 174.13 3i8r h ASP 487 N -1.46 0.90 -0.16 7.02 3.32 -2.01 0.80 116.42 124.84 3i8r h ASP 487 Ca -0.50 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 3i8r h ASP 487 Cb 1.31 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3i8r h ASP 487 CO 0.60 0.65 -0.41 -0.33 -1.72 0.00 0.00 179.24 178.03 3i8r h GLU 488 N 1.07 0.55 -0.64 3.56 3.07 -2.00 -1.70 114.58 118.50 3i8r h GLU 488 Ca 0.29 -0.39 0.08 0.00 -0.50 0.00 0.00 59.36 58.84 3i8r h GLU 488 Cb -0.12 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 3i8r h GLU 488 CO -0.06 1.01 0.30 1.96 -1.40 0.00 0.00 179.01 180.82 3i8r h GLN 489 N 0.19 0.53 -0.57 2.33 4.20 -1.77 -0.84 115.11 119.18 3i8r h GLN 489 Ca -0.01 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3i8r h GLN 489 Cb 1.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3i8r h GLN 489 CO 0.09 0.35 0.18 -0.09 -0.67 0.00 0.00 178.83 178.69 3i8r h ARG 490 N 0.54 0.89 -0.63 1.46 2.43 -0.61 0.23 114.38 118.69 3i8r h ARG 490 Ca 0.30 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3i8r h ARG 490 Cb 0.29 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3i8r h ARG 490 CO -0.24 0.80 0.15 1.49 -1.51 0.00 0.00 179.97 180.66 3i8r h GLU 491 N 0.80 1.00 -0.43 0.20 4.57 -1.17 -0.91 114.58 118.63 3i8r h GLU 491 Ca 0.18 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3i8r h GLU 491 Cb 0.29 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3i8r h GLU 491 CO -0.01 0.89 0.09 1.25 -1.18 0.00 0.00 179.01 180.05 3i8r h HIS 492 N 0.95 0.73 -0.41 0.92 2.76 -0.74 -1.48 115.15 117.88 3i8r h HIS 492 Ca 0.20 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3i8r h HIS 492 Cb 0.34 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3i8r h HIS 492 CO 0.02 0.69 0.24 1.25 -1.30 0.00 0.00 177.93 178.83 3i8r h LEU 493 N 0.56 0.38 -0.55 0.26 6.46 -0.62 -1.13 115.31 120.67 3i8r h LEU 493 Ca 0.13 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 3i8r h LEU 493 Cb 0.34 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3i8r h LEU 493 CO 0.00 0.27 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.87 3i8r h LEU 494 N 0.48 1.02 -0.84 2.25 3.38 -0.96 -0.72 115.31 119.92 3i8r h LEU 494 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i8r h LEU 494 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3i8r h LEU 494 CO -0.08 1.15 0.52 0.11 0.09 0.00 0.00 178.44 180.24 3i8r h LYS 495 N 0.89 1.13 -0.78 1.13 1.57 -1.19 -2.59 116.57 116.73 3i8r h LYS 495 Ca 0.13 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3i8r h LYS 495 Cb 0.72 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3i8r h LYS 495 CO 0.06 0.78 0.40 1.49 -0.57 0.00 0.00 179.45 181.61 3i8r h GLU 496 N 1.15 1.11 -0.64 3.15 4.57 -0.58 -1.95 114.58 121.38 3i8r h GLU 496 Ca 0.30 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3i8r h GLU 496 Cb -0.07 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.28 3i8r h GLU 496 CO -0.06 0.84 0.39 0.00 -1.18 0.00 0.00 179.01 179.00 3i8r h ALA 497 N 1.33 0.82 -0.83 2.92 0.00 -0.79 0.98 119.26 123.69 3i8r h ALA 497 Ca 0.27 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3i8r h ALA 497 Cb 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3i8r h ALA 497 CO -0.04 0.29 0.48 1.15 0.00 0.00 0.00 179.25 181.13 3i8r h THR 498 N 0.87 0.94 -0.19 0.00 2.02 -1.09 -1.77 112.91 113.70 3i8r h THR 498 Ca 0.23 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3i8r h THR 498 Cb -0.04 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3i8r h THR 498 CO -0.04 0.15 -0.22 0.44 0.37 0.00 0.00 175.52 176.21 3i8r h ASP 499 N 0.83 0.33 -0.49 4.18 3.32 -0.61 -1.43 116.42 122.55 3i8r h ASP 499 Ca 0.39 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3i8r h ASP 499 Cb 0.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i8r h ASP 499 CO -0.23 0.56 -0.19 0.00 -1.72 0.00 0.00 179.24 177.66 3i8r h ALA 500 N 1.47 0.68 -0.61 3.45 0.00 -0.46 -1.24 119.26 122.55 3i8r h ALA 500 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3i8r h ALA 500 Cb 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3i8r h ALA 500 CO 0.04 0.66 0.14 0.74 0.00 0.00 0.00 179.25 180.82 3i8r h PHE 501 N 0.85 0.99 -0.33 0.00 -1.00 -0.84 -1.97 116.94 114.64 3i8r h PHE 501 Ca 0.11 -0.11 0.04 0.00 2.81 0.00 0.00 57.97 60.82 3i8r h PHE 501 Cb 0.77 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.01 3i8r h PHE 501 CO 0.05 0.83 0.11 0.28 -1.61 0.00 0.00 178.31 177.97 3i8r h VAL 502 N 0.91 0.91 -0.66 -0.55 2.07 -0.77 -0.43 116.25 117.72 3i8r h VAL 502 Ca 0.19 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3i8r h VAL 502 Cb 0.34 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3i8r h VAL 502 CO 0.00 0.05 0.37 -0.26 0.02 0.00 0.00 177.57 177.75 3i8r h PHE 503 N 0.26 0.68 -0.57 1.57 0.05 -0.99 -0.61 116.94 117.32 3i8r h PHE 503 Ca 0.15 0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.87 3i8r h PHE 503 Cb 0.12 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.84 3i8r h PHE 503 CO -0.14 0.33 -0.02 -0.91 -0.18 0.00 0.00 178.31 177.39 3i8r h ASN 504 N 0.69 1.01 -0.73 2.17 2.35 -0.92 -2.15 115.58 118.00 3i8r h ASN 504 Ca 0.30 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3i8r h ASN 504 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3i8r h ASN 504 CO -0.18 1.08 0.22 -0.74 -1.65 0.00 0.00 177.43 176.16 3i8r h HIS 505 N 0.92 1.18 0.00 1.19 2.76 -0.79 -2.42 115.15 117.98 3i8r h HIS 505 Ca 0.16 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3i8r h HIS 505 Cb 0.58 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 3i8r h HIS 505 CO 0.04 0.94 -0.10 0.37 -1.30 0.00 0.00 177.93 177.87 3i8r h GLN 506 N 1.08 0.00 -0.23 5.26 5.75 -0.76 -1.39 115.11 124.81 3i8r h GLN 506 Ca 0.23 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3i8r h GLN 506 Cb 0.32 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3i8r h GLN 506 CO -0.01 0.10 0.12 0.28 -2.65 0.00 0.00 178.83 176.67 3i8r h VAL 507 N 0.00 1.00 -0.54 2.39 2.07 -0.89 -0.70 116.25 119.57 3i8r h VAL 507 Ca -0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3i8r h VAL 507 Cb 0.28 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3i8r h VAL 507 CO 0.01 0.04 0.27 -0.26 0.02 0.00 0.00 177.57 177.65 3i8r h PHE 508 N 0.25 0.78 -0.82 1.57 0.04 -1.19 -1.04 116.94 116.54 3i8r h PHE 508 Ca 0.09 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.84 3i8r h PHE 508 Cb 0.02 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.89 3i8r h PHE 508 CO -0.09 0.60 0.54 0.00 -0.60 0.00 0.00 178.31 178.76 3i8r h ALA 509 N 1.10 1.04 -0.37 2.45 0.00 -0.96 -1.03 119.26 121.49 3i8r h ALA 509 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i8r h ALA 509 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i8r h ALA 509 CO -0.02 0.42 -0.04 -0.44 0.00 0.00 0.00 179.25 179.16 3i8r h ASP 510 N 1.08 0.68 -0.91 0.00 5.19 -0.88 -1.71 116.42 119.88 3i8r h ASP 510 Ca 0.31 -0.34 0.06 0.00 -0.62 0.00 0.00 57.03 56.44 3i8r h ASP 510 Cb -0.10 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.17 3i8r h ASP 510 CO -0.08 0.85 0.57 -0.07 -3.12 0.00 0.00 179.24 177.40 3i8r h LEU 511 N 0.49 0.91 -1.90 1.55 3.38 -0.68 -1.14 115.31 117.93 3i8r h LEU 511 Ca 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3i8r h LEU 511 Cb 0.53 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i8r h LEU 511 CO 0.03 0.59 -0.12 1.23 0.09 0.00 0.00 178.44 180.25 3i8r h GLY 512 N 1.05 0.00 -1.08 0.83 0.00 -0.80 -2.60 103.07 100.48 3i8r h GLY 512 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3i8r h GLY 512 CO -0.17 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.65 3i8r n LYS 513 N -3.75 1.75 -0.75 4.80 5.02 -0.52 -4.89 118.16 119.82 3i8r n LYS 513 Ca -0.02 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.12 3i8r n LYS 513 Cb 0.23 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3i8r n LYS 513 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8r n GLY 514 N 1.06 0.67 0.49 0.72 0.00 -0.98 -5.07 105.19 102.09 3i8r n GLY 514 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 3i8r n GLY 514 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36