#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlv n SER 305 N 0.00 -0.42 -0.97 0.53 2.88 -1.26 -4.99 113.62 109.39 3hlv n SER 305 Ca 0.00 -2.81 0.07 0.00 -1.33 0.00 0.00 58.87 54.81 3hlv n SER 305 Cb 0.00 -0.17 0.22 0.00 -0.75 0.00 0.00 64.21 63.51 3hlv n SER 305 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hlv n LEU 306 N 1.47 2.80 0.25 2.46 4.32 -1.26 -1.19 117.00 125.85 3hlv n LEU 306 Ca 0.19 -1.40 0.15 0.00 -0.02 0.00 0.00 56.01 54.92 3hlv n LEU 306 Cb 0.55 -0.37 0.43 0.00 -1.62 0.00 0.00 43.42 42.41 3hlv n LEU 306 CO 0.15 0.61 0.90 0.00 -1.22 0.00 0.00 177.39 177.83 3hlv h ALA 307 N 3.77 1.00 -0.05 -1.18 0.00 -1.94 -3.12 119.26 117.74 3hlv h ALA 307 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hlv h ALA 307 Cb 0.77 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hlv h ALA 307 CO 0.05 0.01 -0.51 1.25 0.00 0.00 0.00 179.25 180.06 3hlv h LEU 308 N 0.00 0.14 -2.76 0.00 6.46 -1.56 -3.23 115.31 114.35 3hlv h LEU 308 Ca -0.00 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3hlv h LEU 308 Cb 0.76 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3hlv h LEU 308 CO 0.00 0.62 0.01 -1.54 -0.62 0.00 0.00 178.44 176.91 3hlv n SER 309 N -3.94 4.25 -4.80 1.25 3.41 -1.18 -4.92 113.62 107.68 3hlv n SER 309 Ca -0.02 -2.65 -0.34 0.00 -0.26 0.00 0.00 58.87 55.60 3hlv n SER 309 Cb 0.54 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3hlv n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hlv s LEU 310 N -1.90 3.92 0.47 1.04 1.02 -1.22 -5.07 118.68 116.94 3hlv s LEU 310 Ca 0.37 1.90 -0.07 0.00 0.02 0.00 0.00 54.13 56.35 3hlv s LEU 310 Cb 0.29 -4.49 -0.05 0.00 0.02 0.00 0.00 46.19 41.96 3hlv s LEU 310 CO 0.11 -0.65 0.81 0.28 0.02 0.00 0.00 176.35 176.92 3hlv s THR 311 N -1.96 4.85 0.46 5.49 -1.32 -1.26 -4.96 115.64 116.95 3hlv s THR 311 Ca 0.65 0.40 0.23 0.00 -1.21 0.00 0.00 61.69 61.76 3hlv s THR 311 Cb -0.16 -3.82 0.42 0.00 -1.51 0.00 0.00 72.50 67.42 3hlv s THR 311 CO 0.20 -0.78 1.87 0.00 -2.21 0.00 0.00 174.62 173.70 3hlv h ALA 312 N 0.49 2.45 0.00 11.08 0.00 -1.97 -1.88 119.26 129.43 3hlv h ALA 312 Ca -0.47 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 3hlv h ALA 312 Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3hlv h ALA 312 CO 0.62 -0.73 -1.84 -0.25 0.00 0.00 0.00 179.25 177.06 3hlv n ASP 313 N -4.43 0.66 0.19 0.00 8.00 -1.26 -2.95 116.55 116.77 3hlv n ASP 313 Ca 0.19 0.31 0.14 0.00 0.71 0.00 0.00 54.79 56.14 3hlv n ASP 313 Cb 0.80 0.24 0.67 0.00 -0.02 0.00 0.00 41.12 42.81 3hlv n ASP 313 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3hlv h GLN 314 N 0.00 0.00 0.00 -1.24 4.20 -1.83 -2.37 115.11 113.87 3hlv h GLN 314 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3hlv h GLN 314 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 3hlv h GLN 314 CO 0.06 0.00 -0.08 0.52 -0.67 0.00 0.00 178.83 178.66 3hlv h MET 315 N 0.00 0.00 -0.34 1.46 2.86 -1.37 -2.75 114.93 114.79 3hlv h MET 315 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3hlv h MET 315 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3hlv h MET 315 CO 0.00 0.00 0.34 -0.24 1.06 0.00 0.00 176.91 178.07 3hlv h VAL 316 N -0.59 0.47 0.00 -2.22 3.04 -1.53 0.42 116.25 115.83 3hlv h VAL 316 Ca 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.57 3hlv h VAL 316 Cb 0.08 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 3hlv h VAL 316 CO 0.00 0.00 -1.01 0.77 -1.01 0.00 0.00 177.57 176.32 3hlv h SER 317 N 0.00 0.00 -0.26 3.17 4.64 -1.57 -0.95 113.55 118.58 3hlv h SER 317 Ca 0.16 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3hlv h SER 317 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3hlv h SER 317 CO -0.00 0.48 -0.58 0.00 -0.87 0.00 0.00 176.83 175.86 3hlv h ALA 318 N 1.52 0.42 0.10 5.18 0.00 0.08 -2.67 119.26 123.89 3hlv h ALA 318 Ca -0.09 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 54.03 3hlv h ALA 318 Cb 1.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hlv h ALA 318 CO 0.05 0.66 -1.22 -0.07 0.00 0.00 0.00 179.25 178.67 3hlv h LEU 319 N 0.62 0.33 -1.63 0.00 3.38 -1.06 -2.47 115.31 114.49 3hlv h LEU 319 Ca 0.00 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3hlv h LEU 319 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hlv h LEU 319 CO 0.13 1.29 -0.20 -0.07 0.09 0.00 0.00 178.44 179.67 3hlv h LEU 320 N 0.06 0.00 -0.07 1.67 3.38 -1.23 -2.99 115.31 116.12 3hlv h LEU 320 Ca -0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.63 3hlv h LEU 320 Cb 1.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 3hlv h LEU 320 CO 0.19 0.20 -1.02 -0.78 0.09 0.00 0.00 178.44 177.11 3hlv h ASP 321 N 0.00 0.21 1.43 -0.43 3.58 -1.20 -3.15 116.42 116.87 3hlv h ASP 321 Ca -0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.24 3hlv h ASP 321 Cb 0.38 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3hlv h ASP 321 CO 0.03 1.10 0.00 0.00 -2.88 0.00 0.00 179.24 177.49 3hlv h ALA 322 N 0.87 1.00 -1.03 -0.78 0.00 -1.30 -3.48 119.26 114.54 3hlv h ALA 322 Ca -0.06 0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.05 3hlv h ALA 322 Cb 1.73 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.56 3hlv h ALA 322 CO 0.15 0.00 0.21 0.39 0.00 0.00 0.00 179.25 180.01 3hlv n GLU 323 N -2.45 0.05 -1.37 0.00 -0.58 -1.19 -4.67 120.64 110.43 3hlv n GLU 323 Ca 0.05 0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.47 3hlv n GLU 323 Cb 0.41 -1.52 0.09 0.00 -0.57 0.00 0.00 31.44 29.85 3hlv n GLU 323 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3hlv s PRO 324 N 0.68 2.15 0.75 3.49 0.02 -1.26 -5.03 135.00 135.81 3hlv s PRO 324 Ca 0.94 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 3hlv s PRO 324 Cb -1.31 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 31.40 3hlv s PRO 324 CO 0.62 -1.78 1.10 -1.25 -0.33 0.00 0.00 177.00 175.36 3hlv s PRO 325 N -4.25 2.34 -0.64 5.54 0.04 -1.26 -4.99 135.00 131.77 3hlv s PRO 325 Ca 0.69 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 3hlv s PRO 325 Cb -0.24 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.51 3hlv s PRO 325 CO 0.48 -1.58 0.78 0.42 0.04 0.00 0.00 177.00 177.13 3hlv s ILE 326 N -2.76 4.79 0.94 0.56 1.01 -1.26 -5.03 121.20 119.44 3hlv s ILE 326 Ca 0.63 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3hlv s ILE 326 Cb -0.18 -4.54 0.16 0.00 0.01 0.00 0.00 42.46 37.91 3hlv s ILE 326 CO 0.53 -1.20 1.12 -0.76 0.00 0.00 0.00 174.94 174.63 3hlv s LEU 327 N 2.74 2.49 0.20 2.97 2.01 -1.26 -4.89 118.68 122.94 3hlv s LEU 327 Ca 0.15 2.01 0.10 0.00 0.01 0.00 0.00 54.13 56.40 3hlv s LEU 327 Cb -0.21 -4.34 -0.04 0.00 0.01 0.00 0.00 46.19 41.61 3hlv s LEU 327 CO 0.05 -3.18 -0.12 -0.31 1.01 0.00 0.00 176.35 173.79 3hlv s TYR 328 N -2.65 2.55 0.34 0.29 2.02 -1.26 -4.29 117.35 114.34 3hlv s TYR 328 Ca 0.66 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.97 3hlv s TYR 328 Cb -0.22 -1.23 -0.08 0.00 -0.40 0.00 0.00 41.96 40.02 3hlv s TYR 328 CO 0.59 0.53 0.74 0.45 -1.57 0.00 0.00 175.55 176.29 3hlv s SER 329 N -2.92 6.72 0.00 2.29 0.15 -1.26 -4.96 113.70 113.72 3hlv s SER 329 Ca 0.25 1.24 0.24 0.00 0.70 0.00 0.00 55.95 58.38 3hlv s SER 329 Cb -0.08 -2.36 0.34 0.00 -1.71 0.00 0.00 66.02 62.21 3hlv s SER 329 CO 0.14 -0.24 1.35 -1.84 1.20 0.00 0.00 173.24 173.85 3hlv n GLU 330 N -0.56 2.33 -1.19 5.44 -0.00 -1.26 -4.93 120.64 120.47 3hlv n GLU 330 Ca 0.03 -1.97 -0.38 0.00 -0.00 0.00 0.00 57.16 54.85 3hlv n GLU 330 Cb 0.53 -1.48 0.01 0.00 -0.00 0.00 0.00 31.44 30.51 3hlv n GLU 330 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3hlv n TYR 331 N 1.29 -3.06 0.00 -1.84 9.36 -1.26 -5.21 117.16 116.44 3hlv n TYR 331 Ca 0.16 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.78 3hlv n TYR 331 Cb 0.58 -1.62 0.00 0.00 -0.63 0.00 0.00 39.34 37.67 3hlv n TYR 331 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3hlv n ASP 332 N 2.54 0.00 -4.34 2.98 2.03 -1.26 -5.12 116.55 113.39 3hlv n ASP 332 Ca 0.07 0.00 -0.49 0.00 0.52 0.00 0.00 54.79 54.89 3hlv n ASP 332 Cb 0.47 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 3hlv n ASP 332 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hlv n PRO 336 N -1.15 0.00 -2.50 -0.67 -0.05 -1.26 -5.25 135.00 124.12 3hlv n PRO 336 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 3hlv n PRO 336 Cb 0.00 -1.07 -0.02 0.00 -0.05 0.00 0.00 33.50 32.36 3hlv n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3hlv s PHE 337 N -0.80 2.51 0.53 0.54 0.08 -1.26 -5.03 117.98 114.55 3hlv s PHE 337 Ca 0.68 0.50 -0.03 0.00 0.12 0.00 0.00 56.93 58.20 3hlv s PHE 337 Cb -0.97 -4.45 0.01 0.00 -0.57 0.00 0.00 43.02 37.04 3hlv s PHE 337 CO 0.55 -1.71 0.80 0.45 -0.10 0.00 0.00 175.22 175.21 3hlv s SER 338 N 3.45 5.64 0.13 1.36 0.15 -1.26 -4.95 113.70 118.22 3hlv s SER 338 Ca 0.49 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.65 3hlv s SER 338 Cb -0.09 -1.55 -0.13 0.00 -1.71 0.00 0.00 66.02 62.54 3hlv s SER 338 CO 0.27 -0.94 1.30 1.05 1.20 0.00 0.00 173.24 176.12 3hlv h GLU 339 N 0.06 0.12 0.00 5.44 4.11 -1.97 0.13 114.58 122.47 3hlv h GLU 339 Ca -0.45 -0.17 -0.12 0.00 0.07 0.00 0.00 59.36 58.69 3hlv h GLU 339 Cb 1.26 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 3hlv h GLU 339 CO 0.59 1.01 -0.57 0.00 0.07 0.00 0.00 179.01 180.11 3hlv h ALA 340 N 0.92 0.64 0.20 1.06 0.00 -1.88 -2.33 119.26 117.87 3hlv h ALA 340 Ca -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3hlv h ALA 340 Cb 1.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3hlv h ALA 340 CO 0.15 0.70 -0.10 1.03 0.00 0.00 0.00 179.25 181.02 3hlv h SER 341 N 0.00 -0.23 0.61 0.00 0.87 -1.83 -1.10 113.55 111.86 3hlv h SER 341 Ca -0.01 -0.18 -0.26 0.00 -1.23 0.00 0.00 61.79 60.10 3hlv h SER 341 Cb 1.43 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 3hlv h SER 341 CO 0.07 0.06 -1.18 0.00 -0.53 0.00 0.00 176.83 175.25 3hlv h MET 342 N -0.54 0.28 0.00 2.24 -0.00 -0.82 -2.11 114.93 113.99 3hlv h MET 342 Ca -0.03 -0.44 -0.02 0.00 -0.00 0.00 0.00 59.70 59.22 3hlv h MET 342 Cb 0.40 0.16 -0.00 0.00 -0.00 0.00 0.00 31.60 32.16 3hlv h MET 342 CO 0.05 1.19 -0.08 0.52 -0.00 0.00 0.00 176.91 178.59 3hlv h MET 343 N 0.09 0.00 -0.30 -0.10 2.07 -1.53 0.40 114.93 115.57 3hlv h MET 343 Ca -0.12 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.52 3hlv h MET 343 Cb 1.90 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.61 3hlv h MET 343 CO 0.19 0.08 0.17 0.78 1.07 0.00 0.00 176.91 179.20 3hlv h GLY 344 N 2.71 0.41 1.00 8.32 0.00 -0.97 -2.44 103.07 112.09 3hlv h GLY 344 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3hlv h GLY 344 CO 0.01 0.11 -0.21 1.41 0.00 0.00 0.00 176.54 177.86 3hlv h LEU 345 N 0.35 -0.50 -1.44 3.11 3.38 0.35 -2.03 115.31 118.53 3hlv h LEU 345 Ca 0.12 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3hlv h LEU 345 Cb 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hlv h LEU 345 CO -0.06 -0.35 -0.27 -0.07 0.09 0.00 0.00 178.44 177.79 3hlv h LEU 346 N -0.60 0.00 0.02 1.67 4.07 -0.81 -1.93 115.31 117.73 3hlv h LEU 346 Ca -0.06 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.64 3hlv h LEU 346 Cb 0.46 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 3hlv h LEU 346 CO 0.10 0.27 -1.39 0.71 -1.08 0.00 0.00 178.44 177.04 3hlv h THR 347 N 0.00 1.25 0.00 0.22 1.35 -1.29 -1.30 112.91 113.14 3hlv h THR 347 Ca -0.00 -3.01 -0.11 0.00 -0.55 0.00 0.00 66.41 62.73 3hlv h THR 347 Cb 0.57 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 3hlv h THR 347 CO 0.03 0.74 -0.52 -0.55 -0.25 0.00 0.00 175.52 174.98 3hlv h ASN 348 N 0.01 0.00 0.13 5.36 -1.07 -1.29 -1.13 115.58 117.59 3hlv h ASN 348 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.20 3hlv h ASN 348 Cb 1.91 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.16 3hlv h ASN 348 CO 0.11 0.52 -0.06 0.25 0.07 0.00 0.00 177.43 178.32 3hlv h LEU 349 N 0.00 -0.14 -1.33 6.14 7.12 -1.39 -2.59 115.31 123.12 3hlv h LEU 349 Ca -0.01 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 57.65 3hlv h LEU 349 Cb 1.29 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.43 3hlv h LEU 349 CO 0.07 0.30 0.30 0.00 -0.13 0.00 0.00 178.44 178.98 3hlv h ALA 350 N 0.15 1.49 -0.42 1.25 0.00 -1.21 -0.48 119.26 120.04 3hlv h ALA 350 Ca -0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3hlv h ALA 350 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hlv h ALA 350 CO 0.03 0.42 -0.11 0.22 0.00 0.00 0.00 179.25 179.81 3hlv h ASP 351 N 0.77 0.75 0.48 0.00 1.82 -1.22 -1.78 116.42 117.23 3hlv h ASP 351 Ca 0.20 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 3hlv h ASP 351 Cb 0.02 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.84 3hlv h ASP 351 CO -0.03 0.89 -0.23 0.03 -1.61 0.00 0.00 179.24 178.28 3hlv h ARG 352 N 0.69 -0.63 -1.13 0.28 3.08 -1.01 -3.11 114.38 112.55 3hlv h ARG 352 Ca 0.12 0.04 0.41 0.00 0.07 0.00 0.00 59.98 60.62 3hlv h ARG 352 Cb 0.59 0.14 -0.14 0.00 0.08 0.00 0.00 29.97 30.65 3hlv h ARG 352 CO 0.04 -0.33 0.70 0.39 -1.07 0.00 0.00 179.97 179.70 3hlv n GLU 353 N -5.28 -0.04 0.02 0.04 -0.58 -0.23 -2.20 120.64 112.37 3hlv n GLU 353 Ca -0.11 1.15 -0.08 0.00 -0.42 0.00 0.00 57.16 57.70 3hlv n GLU 353 Cb 0.31 -2.21 0.08 0.00 -0.57 0.00 0.00 31.44 29.05 3hlv n GLU 353 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hlv h LEU 354 N 0.00 0.53 -0.68 -4.62 3.38 -1.25 -1.78 115.31 110.88 3hlv h LEU 354 Ca 0.78 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 58.38 3hlv h LEU 354 Cb 2.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 3hlv h LEU 354 CO -0.50 0.97 -0.45 1.62 0.09 0.00 0.00 178.44 180.17 3hlv h VAL 355 N 0.37 0.96 -0.01 1.22 3.04 -1.57 -2.29 116.25 117.97 3hlv h VAL 355 Ca 0.01 -1.81 -0.26 0.00 -1.01 0.00 0.00 66.70 63.63 3hlv h VAL 355 Cb 1.06 2.10 0.02 0.00 -2.01 0.00 0.00 31.29 32.46 3hlv h VAL 355 CO 0.10 0.44 -1.02 0.45 -1.01 0.00 0.00 177.57 176.53 3hlv h HIS 356 N 0.00 1.01 -0.29 3.17 3.86 -1.58 -3.24 115.15 118.09 3hlv h HIS 356 Ca -0.00 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 3hlv h HIS 356 Cb 1.06 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 3hlv h HIS 356 CO 0.00 1.38 0.18 1.98 0.86 0.00 0.00 177.93 182.33 3hlv h MET 357 N 0.39 0.38 -0.26 2.45 -1.53 -1.02 -2.37 114.93 112.98 3hlv h MET 357 Ca -0.12 -0.03 -0.15 0.00 -3.44 0.00 0.00 59.70 55.96 3hlv h MET 357 Cb 1.67 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 32.62 3hlv h MET 357 CO 0.20 0.26 -0.46 0.82 0.14 0.00 0.00 176.91 177.87 3hlv h ILE 358 N 0.39 1.30 -0.45 1.77 2.04 -1.44 0.16 117.51 121.28 3hlv h ILE 358 Ca 0.11 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.22 3hlv h ILE 358 Cb -0.03 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3hlv h ILE 358 CO -0.02 0.53 -0.09 0.78 0.00 0.00 0.00 178.15 179.35 3hlv h ASN 359 N 0.55 0.78 1.27 1.72 4.21 -1.54 -1.96 115.58 120.60 3hlv h ASN 359 Ca 0.03 -0.23 -0.08 0.00 1.21 0.00 0.00 56.30 57.24 3hlv h ASN 359 Cb 1.01 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 3hlv h ASN 359 CO 0.10 0.90 -0.37 -0.25 -1.29 0.00 0.00 177.43 176.51 3hlv h TRP 360 N 0.72 0.00 0.29 1.19 7.01 -1.06 -2.49 115.95 121.61 3hlv h TRP 360 Ca 0.13 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3hlv h TRP 360 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 3hlv h TRP 360 CO 0.03 0.37 -0.14 0.00 -2.79 0.00 0.00 178.44 175.91 3hlv h ALA 361 N 1.63 -0.39 -1.04 2.65 0.00 -0.60 -2.83 119.26 118.68 3hlv h ALA 361 Ca -0.00 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.01 3hlv h ALA 361 Cb 1.11 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3hlv h ALA 361 CO 0.05 -0.53 0.72 0.87 0.00 0.00 0.00 179.25 180.36 3hlv h LYS 362 N -0.76 0.14 -0.47 0.00 1.57 -1.12 -0.92 116.57 115.01 3hlv h LYS 362 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hlv h LYS 362 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hlv h LYS 362 CO 0.07 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 179.58 3hlv n ARG 363 N -4.36 2.25 -2.95 3.15 1.74 -0.96 -4.29 116.66 111.24 3hlv n ARG 363 Ca 0.23 -1.93 -0.42 0.00 -0.77 0.00 0.00 57.85 54.96 3hlv n ARG 363 Cb 1.02 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 3hlv n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hlv s VAL 364 N -1.38 4.76 0.02 1.55 1.01 -0.35 -4.75 120.40 121.26 3hlv s VAL 364 Ca 0.37 1.02 -0.37 0.00 0.00 0.00 0.00 61.98 63.00 3hlv s VAL 364 Cb 0.20 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 3hlv s VAL 364 CO 0.27 -0.35 1.50 -2.65 0.00 0.00 0.00 175.10 173.87 3hlv n PRO 365 N 6.31 1.39 0.00 2.72 -0.02 -1.26 -1.36 135.00 142.78 3hlv n PRO 365 Ca 0.03 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3hlv n PRO 365 Cb 0.48 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3hlv n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hlv n GLY 366 N 3.12 0.96 0.12 -1.23 0.00 -1.26 -4.95 105.19 101.95 3hlv n GLY 366 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3hlv n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hlv h PHE 367 N 0.00 0.52 -0.01 1.61 3.57 -1.50 -3.22 116.94 117.91 3hlv h PHE 367 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3hlv h PHE 367 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3hlv h PHE 367 CO 0.00 1.23 -0.14 1.55 -2.23 0.00 0.00 178.31 178.72 3hlv n VAL 368 N -3.60 0.00 0.23 1.41 3.14 -1.26 -2.72 118.33 115.52 3hlv n VAL 368 Ca -0.08 -0.09 0.09 0.00 -2.96 0.00 0.00 64.34 61.30 3hlv n VAL 368 Cb 0.96 0.08 0.51 0.00 -1.06 0.00 0.00 33.84 34.33 3hlv n VAL 368 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3hlv h ASP 369 N 0.88 0.00 -4.05 6.55 3.45 -1.95 -3.45 116.42 117.85 3hlv h ASP 369 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 3hlv h ASP 369 Cb 0.40 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 39.21 3hlv h ASP 369 CO 0.00 0.23 0.42 -0.76 -1.57 0.00 0.00 179.24 177.57 3hlv s LEU 370 N -7.10 3.89 0.87 1.55 2.01 -1.10 -5.02 118.68 113.78 3hlv s LEU 370 Ca -0.01 2.08 -0.10 0.00 0.01 0.00 0.00 54.13 56.11 3hlv s LEU 370 Cb 0.12 -4.45 0.12 0.00 0.01 0.00 0.00 46.19 41.98 3hlv s LEU 370 CO 0.64 -0.89 1.13 0.42 1.01 0.00 0.00 176.35 178.66 3hlv s THR 371 N -1.79 2.41 0.27 5.49 -4.23 -1.26 -4.76 115.64 111.77 3hlv s THR 371 Ca 0.67 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 3hlv s THR 371 Cb -0.22 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.39 3hlv s THR 371 CO 0.26 -0.17 1.72 0.25 -0.54 0.00 0.00 174.62 176.13 3hlv h LEU 372 N -1.61 0.55 -0.77 4.79 7.12 -1.96 -0.57 115.31 122.87 3hlv h LEU 372 Ca -0.43 -0.18 -0.13 0.00 0.13 0.00 0.00 57.88 57.27 3hlv h LEU 372 Cb 1.26 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.22 3hlv h LEU 372 CO 0.44 0.77 -0.62 -0.74 -0.13 0.00 0.00 178.44 178.17 3hlv h HIS 373 N 0.49 0.00 -0.00 1.25 2.76 -2.00 -2.30 115.15 115.35 3hlv h HIS 373 Ca 0.08 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.08 3hlv h HIS 373 Cb 0.64 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3hlv h HIS 373 CO 0.02 0.62 -0.76 -0.44 -1.30 0.00 0.00 177.93 176.07 3hlv h ASP 374 N 0.00 0.03 -0.14 3.26 3.32 -1.71 -3.05 116.42 118.13 3hlv h ASP 374 Ca -0.01 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 3hlv h ASP 374 Cb 1.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3hlv h ASP 374 CO 0.08 0.78 -0.66 1.56 -1.72 0.00 0.00 179.24 179.28 3hlv h GLN 375 N 0.02 0.77 -0.03 3.56 4.20 -0.94 -2.72 115.11 119.95 3hlv h GLN 375 Ca -0.01 -0.55 0.04 0.00 0.06 0.00 0.00 58.65 58.18 3hlv h GLN 375 Cb 1.35 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.17 3hlv h GLN 375 CO 0.10 1.17 -0.29 0.28 -0.67 0.00 0.00 178.83 179.43 3hlv h VAL 376 N 0.56 0.36 -0.23 -0.54 2.07 -1.40 -2.55 116.25 114.50 3hlv h VAL 376 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3hlv h VAL 376 Cb 1.27 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3hlv h VAL 376 CO 0.14 0.00 -0.13 -0.74 0.02 0.00 0.00 177.57 176.86 3hlv h HIS 377 N -0.41 0.58 -1.10 1.57 -0.00 -1.59 -0.89 115.15 113.31 3hlv h HIS 377 Ca 0.07 -0.15 0.30 0.00 -0.00 0.00 0.00 60.37 60.59 3hlv h HIS 377 Cb 0.52 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.71 3hlv h HIS 377 CO -0.33 0.79 0.74 -0.07 -0.00 0.00 0.00 177.93 179.05 3hlv h LEU 378 N 0.22 0.29 0.05 0.26 3.38 -1.46 -0.34 115.31 117.70 3hlv h LEU 378 Ca 0.05 0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.74 3hlv h LEU 378 Cb 0.64 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3hlv h LEU 378 CO 0.04 0.04 -1.98 0.18 0.09 0.00 0.00 178.44 176.81 3hlv n LEU 379 N -4.50 1.63 0.19 1.67 4.77 -0.59 -1.38 117.00 118.80 3hlv n LEU 379 Ca 0.26 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 3hlv n LEU 379 Cb 1.03 -0.37 0.39 0.00 -2.33 0.00 0.00 43.42 42.14 3hlv n LEU 379 CO 0.30 0.63 0.88 1.05 -1.33 0.00 0.00 177.39 178.91 3hlv h GLU 380 N 0.03 0.00 0.09 3.23 4.11 -1.16 -1.32 114.58 119.55 3hlv h GLU 380 Ca -0.40 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.74 3hlv h GLU 380 Cb 2.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 3hlv h GLU 380 CO 0.06 0.00 -1.47 0.00 0.07 0.00 0.00 179.01 177.67 3hlv n ALA 382 N -2.60 3.49 0.01 0.00 0.00 -0.48 -4.74 120.51 116.18 3hlv n ALA 382 Ca -0.14 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 3hlv n ALA 382 Cb 1.03 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 3hlv n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3hlv h TRP 383 N 2.26 0.07 0.00 0.00 5.08 -1.46 -2.43 115.95 119.47 3hlv h TRP 383 Ca 0.00 -0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.84 3hlv h TRP 383 Cb 0.70 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.82 3hlv h TRP 383 CO 0.00 0.15 -0.59 1.25 -1.28 0.00 0.00 178.44 177.96 3hlv h LEU 384 N -0.02 0.00 0.24 0.11 5.85 -1.87 -1.87 115.31 117.75 3hlv h LEU 384 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hlv h LEU 384 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hlv h LEU 384 CO -0.00 0.59 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.25 3hlv h GLU 385 N 0.00 -0.31 -0.77 1.25 5.08 -1.85 -2.60 114.58 115.38 3hlv h GLU 385 Ca -0.01 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3hlv h GLU 385 Cb 1.21 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3hlv h GLU 385 CO 0.08 -0.17 0.48 0.82 -1.00 0.00 0.00 179.01 179.21 3hlv h ILE 386 N -0.37 1.07 0.00 3.13 2.04 -1.32 -0.90 117.51 121.15 3hlv h ILE 386 Ca -0.03 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3hlv h ILE 386 Cb 0.29 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3hlv h ILE 386 CO 0.05 0.16 -0.05 -0.07 0.00 0.00 0.00 178.15 178.25 3hlv h LEU 387 N 0.90 0.00 0.11 1.44 4.07 -1.27 -2.23 115.31 118.32 3hlv h LEU 387 Ca 0.32 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.91 3hlv h LEU 387 Cb 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 3hlv h LEU 387 CO -0.14 0.05 -2.06 0.23 -1.08 0.00 0.00 178.44 175.44 3hlv n MET 388 N -3.65 0.74 0.00 1.13 2.81 -0.67 -2.44 117.12 115.05 3hlv n MET 388 Ca -0.02 0.25 -0.05 0.00 -1.81 0.00 0.00 57.70 56.07 3hlv n MET 388 Cb 0.15 -1.68 0.16 0.00 -0.71 0.00 0.00 33.22 31.14 3hlv n MET 388 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3hlv h ILE 389 N 0.05 1.28 0.36 2.02 2.10 -1.17 0.23 117.51 122.37 3hlv h ILE 389 Ca -0.45 -1.38 -0.02 0.00 1.08 0.00 0.00 64.86 64.10 3hlv h ILE 389 Cb 2.01 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 39.15 3hlv h ILE 389 CO 0.06 0.44 -0.17 1.23 -1.08 0.00 0.00 178.15 178.63 3hlv h GLY 390 N 1.04 -0.50 1.28 8.18 0.00 -1.52 -1.27 103.07 110.27 3hlv h GLY 390 Ca 0.06 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.64 3hlv h GLY 390 CO 0.06 -0.18 0.32 -2.00 0.00 0.00 0.00 176.54 174.74 3hlv h LEU 391 N -0.56 0.31 -0.24 3.11 5.85 -1.23 -0.16 115.31 122.39 3hlv h LEU 391 Ca -0.05 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.46 3hlv h LEU 391 Cb 0.42 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hlv h LEU 391 CO 0.08 0.20 -0.89 0.58 -0.34 0.00 0.00 178.44 178.07 3hlv h VAL 392 N 0.35 1.42 -0.27 1.05 2.07 -0.76 -1.59 116.25 118.52 3hlv h VAL 392 Ca 0.21 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.24 3hlv h VAL 392 Cb 0.38 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3hlv h VAL 392 CO -0.05 0.73 0.00 -0.25 0.02 0.00 0.00 177.57 178.02 3hlv h TRP 393 N 0.20 0.52 -0.60 1.57 2.91 -0.69 -3.05 115.95 116.81 3hlv h TRP 393 Ca -0.06 -0.09 0.12 0.00 1.13 0.00 0.00 58.89 59.99 3hlv h TRP 393 Cb 1.52 -0.13 -0.09 0.00 -0.51 0.00 0.00 29.16 29.94 3hlv h TRP 393 CO 0.05 0.63 0.09 0.00 -1.03 0.00 0.00 178.44 178.17 3hlv h ARG 394 N 0.26 0.20 -0.47 2.65 3.08 -0.82 -2.53 114.38 116.75 3hlv h ARG 394 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hlv h ARG 394 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hlv h ARG 394 CO 0.01 0.13 0.00 0.43 -1.07 0.00 0.00 179.97 179.48 3hlv n SER 395 N -5.18 2.37 0.14 7.04 7.64 -0.62 -4.41 113.62 120.62 3hlv n SER 395 Ca 0.09 -2.10 -0.13 0.00 1.01 0.00 0.00 58.87 57.73 3hlv n SER 395 Cb 0.33 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 3hlv n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3hlv h MET 396 N 2.23 -0.38 -0.97 1.43 2.86 -1.33 -1.96 114.93 116.81 3hlv h MET 396 Ca 0.00 0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 3hlv h MET 396 Cb 0.68 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 32.32 3hlv h MET 396 CO 0.05 -0.26 0.24 -0.85 1.06 0.00 0.00 176.91 177.15 3hlv n GLU 397 N -5.30 1.74 -3.46 1.72 0.28 -1.26 -4.43 120.64 109.92 3hlv n GLU 397 Ca -0.08 -1.31 -0.27 0.00 -0.16 0.00 0.00 57.16 55.33 3hlv n GLU 397 Cb 0.22 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 31.42 3hlv n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hlv n HIS 398 N -0.13 -0.30 -1.77 -1.84 8.25 -0.74 -5.13 115.22 113.57 3hlv n HIS 398 Ca 0.24 -3.46 -0.36 0.00 -0.26 0.00 0.00 57.72 53.88 3hlv n HIS 398 Cb 0.95 0.13 0.06 0.00 1.12 0.00 0.00 29.99 32.25 3hlv n HIS 398 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3hlv s PRO 399 N -0.19 2.60 0.00 -0.41 0.02 -1.26 -2.72 135.00 133.04 3hlv s PRO 399 Ca 0.32 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3hlv s PRO 399 Cb 0.03 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3hlv s PRO 399 CO -0.19 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 3hlv n GLY 400 N 0.71 2.04 3.21 0.52 0.00 -1.26 -4.95 105.19 105.46 3hlv n GLY 400 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3hlv n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlv s LYS 401 N 0.00 1.21 -0.39 1.61 3.01 -1.10 -2.61 119.74 121.47 3hlv s LYS 401 Ca 0.00 -0.87 -0.09 0.00 -1.01 0.00 0.00 55.97 54.01 3hlv s LYS 401 Cb 0.00 -1.28 0.06 0.00 -1.01 0.00 0.00 37.83 35.59 3hlv s LYS 401 CO 0.00 0.32 0.20 -0.51 0.51 0.00 0.00 175.35 175.88 3hlv s LEU 402 N -1.15 4.82 -1.15 3.17 1.43 -0.21 -4.79 118.68 120.80 3hlv s LEU 402 Ca 0.05 -1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 51.68 3hlv s LEU 402 Cb -0.08 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.27 3hlv s LEU 402 CO 0.02 -0.44 1.50 -0.22 0.23 0.00 0.00 176.35 177.43 3hlv s LEU 403 N 1.45 4.22 0.00 1.79 2.96 -1.26 -1.59 118.68 126.25 3hlv s LEU 403 Ca 0.02 -2.26 -0.25 0.00 -0.22 0.00 0.00 54.13 51.42 3hlv s LEU 403 Cb -0.21 -2.51 -0.17 0.00 0.50 0.00 0.00 46.19 43.80 3hlv s LEU 403 CO 0.03 -1.14 1.24 -0.26 -1.32 0.00 0.00 176.35 174.90 3hlv h PHE 404 N 8.23 -0.29 -2.50 5.38 0.04 -1.86 -3.43 116.94 122.51 3hlv h PHE 404 Ca 0.31 -0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.55 3hlv h PHE 404 Cb 0.93 0.10 -0.14 0.00 2.20 0.00 0.00 35.95 39.04 3hlv h PHE 404 CO 1.28 0.05 -0.69 0.00 -0.60 0.00 0.00 178.31 178.35 3hlv s ALA 405 N -4.72 2.46 0.38 2.45 0.00 -1.24 -4.91 121.76 116.18 3hlv s ALA 405 Ca -0.14 -1.91 0.10 0.00 0.00 0.00 0.00 51.96 50.01 3hlv s ALA 405 Cb 0.02 0.07 0.87 0.00 0.00 0.00 0.00 23.12 24.08 3hlv s ALA 405 CO 0.56 0.01 1.90 -1.35 0.00 0.00 0.00 175.76 176.89 3hlv h PRO 406 N 2.26 0.61 -1.16 0.00 0.11 -1.88 -1.60 132.00 130.34 3hlv h PRO 406 Ca -0.40 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 3hlv h PRO 406 Cb 1.24 -0.14 -0.34 0.00 0.11 0.00 0.00 31.00 31.87 3hlv h PRO 406 CO 0.66 0.40 0.23 0.27 -0.21 0.00 0.00 178.00 179.35 3hlv n ASN 407 N -4.52 6.52 -2.87 -2.05 2.04 -1.26 -4.69 115.26 108.42 3hlv n ASN 407 Ca 0.15 -3.78 -0.12 0.00 -0.44 0.00 0.00 54.58 50.39 3hlv n ASN 407 Cb 0.43 -0.75 0.02 0.00 -2.53 0.00 0.00 39.78 36.96 3hlv n ASN 407 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3hlv n LEU 408 N -0.74 -1.94 -4.28 -4.53 7.94 -0.60 -4.83 117.00 108.02 3hlv n LEU 408 Ca 0.53 -3.77 -0.44 0.00 -1.11 0.00 0.00 56.01 51.22 3hlv n LEU 408 Cb 0.68 0.80 -0.06 0.00 0.53 0.00 0.00 43.42 45.37 3hlv n LEU 408 CO 0.58 2.04 0.14 -0.22 -1.11 0.00 0.00 177.39 178.82 3hlv s LEU 409 N -1.11 6.12 0.08 -1.96 0.20 -1.26 -2.73 118.68 118.02 3hlv s LEU 409 Ca 0.32 -2.00 -0.27 0.00 0.69 0.00 0.00 54.13 52.87 3hlv s LEU 409 Cb 0.23 -2.14 -0.06 0.00 -0.43 0.00 0.00 46.19 43.79 3hlv s LEU 409 CO -0.18 -0.75 0.83 -0.76 -0.29 0.00 0.00 176.35 175.19 3hlv s LEU 410 N 1.25 4.48 0.66 -0.68 2.01 -0.62 -4.77 118.68 121.01 3hlv s LEU 410 Ca 0.07 1.58 -0.11 0.00 0.01 0.00 0.00 54.13 55.67 3hlv s LEU 410 Cb -0.26 -3.35 -0.02 0.00 0.01 0.00 0.00 46.19 42.58 3hlv s LEU 410 CO -0.00 0.01 1.04 -1.81 1.01 0.00 0.00 176.35 176.61 3hlv s ASP 411 N -0.17 5.80 0.00 2.29 1.01 -1.26 -1.04 116.67 123.30 3hlv s ASP 411 Ca 0.41 1.52 0.09 0.00 0.71 0.00 0.00 52.55 55.28 3hlv s ASP 411 Cb -0.22 -2.48 0.52 0.00 1.01 0.00 0.00 42.92 41.75 3hlv s ASP 411 CO 0.25 -1.16 0.97 -2.11 0.21 0.00 0.00 175.17 173.33 3hlv n ARG 412 N -2.93 0.29 -0.10 8.23 1.85 -1.07 -1.88 116.66 121.04 3hlv n ARG 412 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.79 3hlv n ARG 412 Cb 0.54 -1.48 -0.12 0.00 -1.05 0.00 0.00 32.46 30.35 3hlv n ARG 412 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3hlv n ASN 413 N -0.98 1.60 0.00 2.89 4.13 -1.26 -4.38 115.26 117.26 3hlv n ASN 413 Ca 0.07 -0.07 0.04 0.00 1.68 0.00 0.00 54.58 56.29 3hlv n ASN 413 Cb 0.03 0.19 0.20 0.00 -1.54 0.00 0.00 39.78 38.65 3hlv n ASN 413 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hlv n GLN 414 N -2.94 0.12 0.00 3.52 6.02 -0.79 -1.49 117.38 121.83 3hlv n GLN 414 Ca -0.35 0.20 0.14 0.00 -0.01 0.00 0.00 57.00 56.97 3hlv n GLN 414 Cb 0.98 -1.50 0.53 0.00 1.02 0.00 0.00 30.24 31.28 3hlv n GLN 414 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hlv n GLY 415 N -0.62 -1.13 0.23 1.08 0.00 -1.24 -2.46 105.19 101.05 3hlv n GLY 415 Ca 0.04 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3hlv n GLY 415 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hlv h LYS 416 N 0.33 0.00 0.00 1.61 1.57 -1.54 -1.46 116.57 117.08 3hlv h LYS 416 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hlv h LYS 416 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hlv h LYS 416 CO 0.00 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3hlv s VAL 418 N -2.83 0.75 -0.60 0.00 1.01 -1.24 -3.97 120.40 113.53 3hlv s VAL 418 Ca 0.03 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 3hlv s VAL 418 Cb 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 3hlv s VAL 418 CO 0.08 0.29 2.47 1.21 0.00 0.00 0.00 175.10 179.15 3hlv n GLU 419 N 4.26 0.82 -0.52 2.72 4.07 -1.26 0.22 120.64 130.96 3hlv n GLU 419 Ca -0.20 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.87 3hlv n GLU 419 Cb 0.51 -3.07 0.00 0.00 -0.06 0.00 0.00 31.44 28.81 3hlv n GLU 419 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hlv n GLY 420 N 6.12 0.74 0.16 8.31 0.00 -1.26 -4.93 105.19 114.33 3hlv n GLY 420 Ca 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 3hlv n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hlv h MET 421 N 2.42 0.14 -0.21 1.61 -1.53 -0.35 -3.31 114.93 113.70 3hlv h MET 421 Ca 0.00 -0.09 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 3hlv h MET 421 Cb 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 3hlv h MET 421 CO 0.00 0.67 -0.12 -0.24 0.14 0.00 0.00 176.91 177.36 3hlv h VAL 422 N 0.11 1.20 -0.69 -5.77 3.04 -1.43 -1.65 116.25 111.06 3hlv h VAL 422 Ca -0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 3hlv h VAL 422 Cb 1.04 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 31.46 3hlv h VAL 422 CO 0.08 0.28 0.44 -0.33 -1.01 0.00 0.00 177.57 177.03 3hlv h GLU 423 N 0.32 0.92 -0.01 4.17 3.07 -1.88 -2.10 114.58 119.07 3hlv h GLU 423 Ca 0.06 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3hlv h GLU 423 Cb 0.42 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3hlv h GLU 423 CO 0.02 0.64 -0.00 0.82 -1.40 0.00 0.00 179.01 179.09 3hlv h ILE 424 N 0.94 1.28 -0.95 3.13 2.04 -1.52 -2.63 117.51 119.79 3hlv h ILE 424 Ca 0.25 -0.82 0.22 0.00 1.00 0.00 0.00 64.86 65.50 3hlv h ILE 424 Cb -0.07 1.81 -0.18 0.00 -0.74 0.00 0.00 36.82 37.65 3hlv h ILE 424 CO -0.05 0.22 -0.15 0.49 0.00 0.00 0.00 178.15 178.66 3hlv n PHE 425 N -4.91 0.44 -0.03 1.37 3.72 -0.70 -1.17 117.46 116.18 3hlv n PHE 425 Ca -0.08 1.16 -0.04 0.00 -0.05 0.00 0.00 57.45 58.44 3hlv n PHE 425 Cb 0.19 -1.11 0.18 0.00 -0.94 0.00 0.00 39.48 37.80 3hlv n PHE 425 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hlv h ASP 426 N 0.00 0.59 -0.29 4.37 3.45 -1.04 0.27 116.42 123.77 3hlv h ASP 426 Ca 0.50 -0.19 -0.17 0.00 0.43 0.00 0.00 57.03 57.60 3hlv h ASP 426 Cb 0.87 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3hlv h ASP 426 CO -0.95 0.79 -0.47 0.24 -1.57 0.00 0.00 179.24 177.28 3hlv h MET 427 N 0.53 0.87 -0.54 3.56 2.86 -0.81 0.50 114.93 121.90 3hlv h MET 427 Ca 0.09 -0.50 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 3hlv h MET 427 Cb 0.62 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3hlv h MET 427 CO 0.04 1.14 0.25 -0.07 1.06 0.00 0.00 176.91 179.33 3hlv h LEU 428 N 0.69 0.72 -0.04 1.22 3.38 -0.96 0.43 115.31 120.74 3hlv h LEU 428 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hlv h LEU 428 Cb 1.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hlv h LEU 428 CO 0.11 0.66 0.01 -0.07 0.09 0.00 0.00 178.44 179.24 3hlv h LEU 429 N 0.72 0.06 -0.63 1.67 3.38 -0.25 -1.31 115.31 118.95 3hlv h LEU 429 Ca 0.18 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hlv h LEU 429 Cb 0.14 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 3hlv h LEU 429 CO -0.02 0.22 0.05 0.00 0.09 0.00 0.00 178.44 178.78 3hlv h ALA 430 N 0.84 0.67 -0.53 1.53 0.00 0.11 -1.62 119.26 120.26 3hlv h ALA 430 Ca 0.01 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hlv h ALA 430 Cb 0.18 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hlv h ALA 430 CO -0.00 -0.37 0.22 1.15 0.00 0.00 0.00 179.25 180.25 3hlv h THR 431 N 0.16 1.21 -0.00 0.00 2.02 -0.34 -1.35 112.91 114.60 3hlv h THR 431 Ca 0.33 -0.65 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 3hlv h THR 431 Cb 0.54 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3hlv h THR 431 CO -0.51 0.25 -0.65 0.77 0.37 0.00 0.00 175.52 175.76 3hlv h SER 432 N 0.72 0.01 -0.20 4.18 4.64 -1.12 -1.48 113.55 120.32 3hlv h SER 432 Ca 0.18 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3hlv h SER 432 Cb 0.18 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3hlv h SER 432 CO -0.02 0.66 0.06 -1.28 -0.87 0.00 0.00 176.83 175.38 3hlv h SER 433 N 0.01 0.35 0.28 4.97 0.87 -0.98 0.28 113.55 119.33 3hlv h SER 433 Ca -0.01 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3hlv h SER 433 Cb 1.15 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 3hlv h SER 433 CO 0.09 0.37 -0.13 -0.09 -0.53 0.00 0.00 176.83 176.53 3hlv h ARG 434 N 0.39 -0.36 -0.57 2.24 9.65 -0.43 -2.11 114.38 123.20 3hlv h ARG 434 Ca 0.09 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.10 3hlv h ARG 434 Cb 0.17 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 28.72 3hlv h ARG 434 CO -0.00 -0.01 -0.33 0.74 2.80 0.00 0.00 179.97 183.16 3hlv h PHE 435 N -0.86 -0.92 -0.60 2.20 0.05 -1.13 -0.07 116.94 115.61 3hlv h PHE 435 Ca -0.04 0.07 0.06 0.00 3.82 0.00 0.00 57.97 61.88 3hlv h PHE 435 Cb 0.51 0.49 -0.05 0.00 2.00 0.00 0.00 35.95 38.90 3hlv h PHE 435 CO 0.04 -0.38 0.31 -0.09 -0.18 0.00 0.00 178.31 178.01 3hlv h ARG 436 N -0.17 0.56 0.00 1.51 2.43 -0.46 0.42 114.38 118.66 3hlv h ARG 436 Ca 0.22 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3hlv h ARG 436 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hlv h ARG 436 CO -0.66 0.37 -0.50 0.52 -1.51 0.00 0.00 179.97 178.19 3hlv h MET 437 N 0.57 0.00 -0.60 0.20 2.86 -0.61 -1.52 114.93 115.84 3hlv h MET 437 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hlv h MET 437 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3hlv h MET 437 CO -0.19 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.28 3hlv n MET 438 N -3.65 2.69 -3.93 1.72 0.00 -0.12 -4.96 117.12 108.87 3hlv n MET 438 Ca -0.01 -2.13 -0.34 0.00 0.00 0.00 0.00 57.70 55.22 3hlv n MET 438 Cb 0.57 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.21 3hlv n MET 438 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hlv n ASN 439 N 1.02 -2.95 -4.76 3.17 5.15 0.08 -4.83 115.26 112.14 3hlv n ASN 439 Ca 0.20 -1.12 -0.41 0.00 -0.60 0.00 0.00 54.58 52.65 3hlv n ASN 439 Cb 0.59 -2.66 -0.01 0.00 -0.53 0.00 0.00 39.78 37.17 3hlv n ASN 439 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hlv s LEU 440 N -6.97 4.34 0.40 1.20 2.96 -0.89 -4.99 118.68 114.73 3hlv s LEU 440 Ca 0.30 2.95 -0.02 0.00 -0.22 0.00 0.00 54.13 57.14 3hlv s LEU 440 Cb -0.13 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3hlv s LEU 440 CO 0.91 -0.89 0.65 -1.58 -1.32 0.00 0.00 176.35 174.12 3hlv s GLN 441 N -0.86 3.52 0.40 1.98 2.00 -1.26 -4.98 119.66 120.46 3hlv s GLN 441 Ca 0.61 -0.09 0.21 0.00 -2.00 0.00 0.00 55.36 54.09 3hlv s GLN 441 Cb -0.47 -2.54 0.63 0.00 0.80 0.00 0.00 33.01 31.43 3hlv s GLN 441 CO 0.51 0.01 1.70 0.78 -0.50 0.00 0.00 175.29 177.79 3hlv h GLY 442 N 0.61 0.00 1.51 2.59 0.00 -1.99 -1.83 103.07 103.97 3hlv h GLY 442 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hlv h GLY 442 CO 0.62 0.00 -0.37 0.83 0.00 0.00 0.00 176.54 177.62 3hlv h GLU 443 N 0.00 0.00 0.07 4.80 5.08 -1.97 -3.03 114.58 119.53 3hlv h GLU 443 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3hlv h GLU 443 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3hlv h GLU 443 CO 0.04 0.00 -1.11 0.93 -1.00 0.00 0.00 179.01 177.87 3hlv h GLU 444 N 0.00 0.14 -1.00 2.33 5.08 -1.92 -3.34 114.58 115.87 3hlv h GLU 444 Ca 0.00 -0.24 0.22 0.00 -1.00 0.00 0.00 59.36 58.34 3hlv h GLU 444 Cb 0.75 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.99 3hlv h GLU 444 CO 0.00 1.11 0.62 0.35 -1.00 0.00 0.00 179.01 180.10 3hlv h PHE 445 N -0.61 0.85 0.00 4.33 3.57 -1.32 0.29 116.94 124.06 3hlv h PHE 445 Ca -0.26 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 3hlv h PHE 445 Cb 1.51 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 3hlv h PHE 445 CO 0.15 0.15 -0.13 -0.39 -2.23 0.00 0.00 178.31 175.86 3hlv h VAL 446 N 0.57 0.26 0.00 1.41 -1.51 -1.69 0.06 116.25 115.36 3hlv h VAL 446 Ca 0.57 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 3hlv h VAL 446 Cb 1.16 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 3hlv h VAL 446 CO -0.33 0.12 -0.10 0.00 -1.23 0.00 0.00 177.57 176.04 3hlv n LEU 448 N -4.65 -0.60 0.28 0.00 4.32 0.15 -0.94 117.00 115.55 3hlv n LEU 448 Ca -0.08 1.67 0.14 0.00 -0.02 0.00 0.00 56.01 57.72 3hlv n LEU 448 Cb 0.33 -0.39 0.80 0.00 -1.62 0.00 0.00 43.42 42.54 3hlv n LEU 448 CO 0.21 -1.51 1.02 0.50 -1.22 0.00 0.00 177.39 176.39 3hlv h LYS 449 N 0.00 0.00 0.12 3.23 3.64 -1.01 -2.00 116.57 120.56 3hlv h LYS 449 Ca 0.34 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.38 3hlv h LYS 449 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3hlv h LYS 449 CO -0.96 0.08 -1.87 0.77 -2.27 0.00 0.00 179.45 175.21 3hlv h SER 450 N 0.00 0.40 -0.03 4.20 0.02 -0.89 -3.26 113.55 113.99 3hlv h SER 450 Ca -0.00 -0.79 0.03 0.00 -0.84 0.00 0.00 61.79 60.19 3hlv h SER 450 Cb 0.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3hlv h SER 450 CO 0.01 1.70 -0.14 0.40 -1.14 0.00 0.00 176.83 177.66 3hlv h ILE 451 N 0.07 0.66 -1.00 3.27 2.04 -0.78 -2.59 117.51 119.17 3hlv h ILE 451 Ca -0.37 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.70 3hlv h ILE 451 Cb 2.04 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 38.67 3hlv h ILE 451 CO 0.11 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.27 3hlv h ILE 452 N -0.21 0.63 -0.05 -0.67 2.04 -1.46 0.77 117.51 118.56 3hlv h ILE 452 Ca 0.06 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 3hlv h ILE 452 Cb 0.29 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3hlv h ILE 452 CO -0.15 0.12 -0.65 0.25 0.00 0.00 0.00 178.15 177.73 3hlv h LEU 453 N 0.68 0.22 0.01 1.44 5.85 -1.55 -2.98 115.31 118.98 3hlv h LEU 453 Ca 0.60 -0.13 -0.31 0.00 0.84 0.00 0.00 57.88 58.88 3hlv h LEU 453 Cb 1.05 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3hlv h LEU 453 CO -0.41 0.80 -1.83 0.18 -0.34 0.00 0.00 178.44 176.84 3hlv n LEU 454 N -3.83 0.97 0.08 2.25 4.32 0.67 -4.25 117.00 117.21 3hlv n LEU 454 Ca -0.02 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 3hlv n LEU 454 Cb 0.64 0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.47 3hlv n LEU 454 CO 0.44 0.46 0.05 -1.13 -1.22 0.00 0.00 177.39 175.99 3hlv h ASN 455 N 0.01 0.00 -0.03 -1.43 -1.24 0.29 -3.35 115.58 109.83 3hlv h ASN 455 Ca -0.34 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.50 3hlv h ASN 455 Cb 2.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.09 3hlv h ASN 455 CO 0.07 0.58 -0.57 0.77 -1.29 0.00 0.00 177.43 176.99 3hlv h SER 456 N 0.00 0.69 -0.06 1.15 4.64 -1.70 -3.27 113.55 115.00 3hlv h SER 456 Ca -0.09 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hlv h SER 456 Cb 1.52 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hlv h SER 456 CO 0.06 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 3hlv n GLY 457 N 0.31 0.07 0.25 -0.77 0.00 -1.26 -4.75 105.19 99.03 3hlv n GLY 457 Ca -0.04 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.93 3hlv n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hlv h VAL 458 N 1.40 0.00 -0.45 1.61 3.04 -1.70 -2.84 116.25 117.33 3hlv h VAL 458 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3hlv h VAL 458 Cb 0.38 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 3hlv h VAL 458 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 3hlv n TYR 459 N -3.01 0.58 -0.09 3.17 0.53 -1.26 -3.76 117.16 113.32 3hlv n TYR 459 Ca 0.01 -0.30 0.05 0.00 -1.02 0.00 0.00 57.90 56.64 3hlv n TYR 459 Cb 0.34 -0.00 0.25 0.00 -1.03 0.00 0.00 39.34 38.90 3hlv n TYR 459 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 3hlv n THR 460 N 1.47 1.56 -2.70 -0.72 -2.24 -1.07 -4.88 114.28 105.69 3hlv n THR 460 Ca 0.20 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.70 3hlv n THR 460 Cb 0.60 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 3hlv n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hlv s PHE 461 N -1.99 3.39 0.00 4.78 2.99 -1.25 -5.14 117.98 120.77 3hlv s PHE 461 Ca 0.35 1.46 0.00 0.00 0.00 0.00 0.00 56.93 58.74 3hlv s PHE 461 Cb 0.25 -3.21 0.00 0.00 0.00 0.00 0.00 43.02 40.06 3hlv s PHE 461 CO 0.13 -0.38 0.00 1.28 -0.00 0.00 0.00 175.22 176.24 3hlv n LEU 462 N 5.84 0.00 0.00 -0.37 4.77 -1.26 -5.13 117.00 120.85 3hlv n LEU 462 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3hlv n LEU 462 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3hlv n LEU 462 CO 0.51 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.98 3hlv n THR 465 N 0.00 0.00 0.03 -5.08 -1.04 -1.26 -5.28 114.28 101.65 3hlv n THR 465 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 3hlv n THR 465 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3hlv n THR 465 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 3hlv h LEU 466 N 0.00 0.90 -0.03 -4.42 -0.00 -2.06 -2.95 115.31 106.75 3hlv h LEU 466 Ca 0.00 -0.70 -0.25 0.00 -0.00 0.00 0.00 57.88 56.93 3hlv h LEU 466 Cb 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.38 3hlv h LEU 466 CO 0.00 1.50 -1.09 0.50 -0.00 0.00 0.00 178.44 179.36 3hlv h LYS 467 N 0.41 0.28 0.00 0.17 3.11 -2.06 -2.98 116.57 115.50 3hlv h LYS 467 Ca -0.12 -0.39 -0.01 0.00 -2.81 0.00 0.00 60.65 57.32 3hlv h LYS 467 Cb 1.65 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 33.01 3hlv h LYS 467 CO 0.20 1.13 -0.06 0.66 -2.81 0.00 0.00 179.45 178.57 3hlv h SER 468 N 0.12 0.00 -0.28 4.20 4.64 -2.02 -2.70 113.55 117.50 3hlv h SER 468 Ca -0.10 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 3hlv h SER 468 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 3hlv h SER 468 CO 0.18 0.06 -0.50 -0.07 -0.87 0.00 0.00 176.83 175.62 3hlv h LEU 469 N 0.00 0.93 -1.86 5.97 4.07 -1.42 -3.16 115.31 119.84 3hlv h LEU 469 Ca -0.00 -0.53 -0.02 0.00 0.08 0.00 0.00 57.88 57.41 3hlv h LEU 469 Cb 0.75 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 3hlv h LEU 469 CO 0.01 1.28 -0.08 -0.33 -1.08 0.00 0.00 178.44 178.24 3hlv h GLU 470 N 0.62 0.00 0.60 1.13 5.08 -1.33 -2.30 114.58 118.38 3hlv h GLU 470 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hlv h GLU 470 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.36 3hlv h GLU 470 CO 0.11 0.08 -0.29 0.93 -1.00 0.00 0.00 179.01 178.85 3hlv h GLU 471 N 0.00 -0.78 -0.86 2.33 5.08 -1.53 0.30 114.58 119.12 3hlv h GLU 471 Ca -0.00 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.64 3hlv h GLU 471 Cb 0.38 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 3hlv h GLU 471 CO 0.01 -0.46 0.20 0.87 -1.00 0.00 0.00 179.01 178.62 3hlv h LYS 472 N -1.01 0.18 0.02 2.33 1.57 -1.43 0.29 116.57 118.51 3hlv h LYS 472 Ca -0.08 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 3hlv h LYS 472 Cb 0.67 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3hlv h LYS 472 CO 0.14 0.12 -1.02 0.22 -0.57 0.00 0.00 179.45 178.33 3hlv h ASP 473 N 0.19 0.06 0.47 0.86 1.82 -1.39 -1.24 116.42 117.19 3hlv h ASP 473 Ca 0.53 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 57.09 3hlv h ASP 473 Cb 1.06 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 3hlv h ASP 473 CO -0.67 1.04 -0.40 -0.74 -1.61 0.00 0.00 179.24 176.87 3hlv h HIS 474 N 0.01 -1.09 0.00 0.28 2.76 0.13 -1.06 115.15 116.18 3hlv h HIS 474 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3hlv h HIS 474 Cb 1.78 0.41 -0.00 0.00 1.55 0.00 0.00 27.41 31.15 3hlv h HIS 474 CO 0.01 -0.55 -0.04 0.97 -1.30 0.00 0.00 177.93 177.02 3hlv h ILE 475 N -0.85 0.21 0.00 6.26 -0.00 -0.47 0.90 117.51 123.56 3hlv h ILE 475 Ca -0.06 -0.33 -0.07 0.00 -0.00 0.00 0.00 64.86 64.40 3hlv h ILE 475 Cb 0.71 1.26 -0.01 0.00 -0.00 0.00 0.00 36.82 38.79 3hlv h ILE 475 CO -0.01 0.04 -0.32 0.45 -0.00 0.00 0.00 178.15 178.31 3hlv h HIS 476 N 0.00 0.00 -0.04 2.19 3.86 -1.11 -1.93 115.15 118.13 3hlv h HIS 476 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3hlv h HIS 476 Cb 0.26 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.74 3hlv h HIS 476 CO 0.00 0.32 -0.34 0.00 0.86 0.00 0.00 177.93 178.76 3hlv h ARG 477 N 0.00 0.30 -0.50 2.45 3.08 0.22 -2.46 114.38 117.47 3hlv h ARG 477 Ca -0.00 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 3hlv h ARG 477 Cb 1.06 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3hlv h ARG 477 CO 0.04 0.94 -0.08 -0.24 -1.07 0.00 0.00 179.97 179.57 3hlv h VAL 478 N -0.25 1.27 -0.54 2.04 3.04 -1.45 -2.05 116.25 118.30 3hlv h VAL 478 Ca -0.03 -1.20 0.09 0.00 -1.01 0.00 0.00 66.70 64.54 3hlv h VAL 478 Cb 1.03 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 3hlv h VAL 478 CO 0.07 0.42 0.37 -0.07 -1.01 0.00 0.00 177.57 177.34 3hlv h LEU 479 N 0.79 0.32 -0.32 3.16 3.38 -1.39 0.12 115.31 121.37 3hlv h LEU 479 Ca 0.13 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 3hlv h LEU 479 Cb 0.63 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hlv h LEU 479 CO 0.04 0.20 -0.83 0.44 0.09 0.00 0.00 178.44 178.38 3hlv h ASP 480 N 0.36 0.00 -0.49 -0.43 3.32 -1.20 -2.75 116.42 115.22 3hlv h ASP 480 Ca 0.25 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3hlv h ASP 480 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3hlv h ASP 480 CO -0.06 0.83 -0.08 0.11 -1.72 0.00 0.00 179.24 178.32 3hlv h LYS 481 N 0.00 0.96 0.00 3.56 1.57 -0.17 -2.25 116.57 120.24 3hlv h LYS 481 Ca -0.01 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 3hlv h LYS 481 Cb 1.48 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 3hlv h LYS 481 CO 0.11 1.00 -0.17 0.82 -0.57 0.00 0.00 179.45 180.64 3hlv h ILE 482 N 0.87 0.42 -0.07 1.86 2.04 -0.83 -0.36 117.51 121.44 3hlv h ILE 482 Ca 0.14 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3hlv h ILE 482 Cb 0.62 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3hlv h ILE 482 CO 0.04 0.16 -0.03 0.74 0.00 0.00 0.00 178.15 179.06 3hlv h THR 483 N 0.00 1.32 -0.42 -0.27 2.02 -1.33 -1.32 112.91 112.90 3hlv h THR 483 Ca -0.00 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3hlv h THR 483 Cb 0.67 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 3hlv h THR 483 CO 0.02 0.28 0.23 0.44 0.37 0.00 0.00 175.52 176.86 3hlv h ASP 484 N -0.21 0.51 0.24 4.18 5.19 -0.78 0.07 116.42 125.62 3hlv h ASP 484 Ca 0.02 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 3hlv h ASP 484 Cb 0.47 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3hlv h ASP 484 CO 0.01 0.42 -0.11 0.74 -3.12 0.00 0.00 179.24 177.18 3hlv h THR 485 N 0.59 0.82 -0.98 0.35 2.02 -1.07 0.11 112.91 114.74 3hlv h THR 485 Ca 0.15 -0.69 0.19 0.00 0.77 0.00 0.00 66.41 66.84 3hlv h THR 485 Cb 0.03 1.20 -0.11 0.00 -1.74 0.00 0.00 68.15 67.52 3hlv h THR 485 CO -0.02 0.14 0.58 -0.07 0.37 0.00 0.00 175.52 176.52 3hlv h LEU 486 N -0.69 0.73 0.14 2.58 3.38 -0.72 -1.45 115.31 119.28 3hlv h LEU 486 Ca -0.03 0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 3hlv h LEU 486 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hlv h LEU 486 CO 0.05 0.25 -1.38 -0.29 0.09 0.00 0.00 178.44 177.16 3hlv h ILE 487 N 0.72 1.34 -0.18 1.22 6.09 -0.94 -3.05 117.51 122.72 3hlv h ILE 487 Ca 0.57 -2.92 0.05 0.00 -1.37 0.00 0.00 64.86 61.19 3hlv h ILE 487 Cb 0.90 2.89 -0.07 0.00 0.47 0.00 0.00 36.82 41.01 3hlv h ILE 487 CO -0.39 0.86 -0.31 -0.74 -3.07 0.00 0.00 178.15 174.50 3hlv h HIS 488 N 0.08 -0.84 -1.04 2.19 2.76 -0.31 -0.68 115.15 117.30 3hlv h HIS 488 Ca -0.19 0.04 0.28 0.00 -2.20 0.00 0.00 60.37 58.30 3hlv h HIS 488 Cb 2.01 0.40 -0.12 0.00 1.55 0.00 0.00 27.41 31.25 3hlv h HIS 488 CO 0.07 -0.38 0.64 -0.07 -1.30 0.00 0.00 177.93 176.88 3hlv h LEU 489 N -0.36 0.54 0.00 0.26 3.38 -1.28 0.75 115.31 118.60 3hlv h LEU 489 Ca 0.11 0.13 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 3hlv h LEU 489 Cb 0.53 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3hlv h LEU 489 CO -0.38 0.04 -0.94 0.24 0.09 0.00 0.00 178.44 177.49 3hlv h MET 490 N 0.44 0.00 -0.27 1.13 2.86 -1.25 -1.97 114.93 115.87 3hlv h MET 490 Ca 0.66 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.25 3hlv h MET 490 Cb 1.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 3hlv h MET 490 CO -0.43 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.22 3hlv h ALA 491 N 1.23 0.36 -0.70 6.32 0.00 0.35 -1.54 119.26 125.29 3hlv h ALA 491 Ca -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hlv h ALA 491 Cb 1.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3hlv h ALA 491 CO 0.09 0.10 0.43 -0.22 0.00 0.00 0.00 179.25 179.65 3hlv h LYS 492 N 0.26 0.93 0.00 0.00 3.64 -0.80 -0.59 116.57 120.02 3hlv h LYS 492 Ca 0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hlv h LYS 492 Cb 0.42 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hlv h LYS 492 CO 0.01 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.84 3hlv n ALA 493 N -2.43 2.36 -0.78 5.00 0.00 -0.75 -4.87 120.51 119.04 3hlv n ALA 493 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hlv n ALA 493 Cb 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3hlv n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hlv n GLY 494 N 0.78 1.02 3.77 0.00 0.00 -0.23 -5.06 105.19 105.47 3hlv n GLY 494 Ca 0.15 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3hlv n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlv s LEU 495 N 0.00 4.58 0.85 0.99 1.43 -0.59 -5.04 118.68 120.90 3hlv s LEU 495 Ca 0.00 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 3hlv s LEU 495 Cb 0.00 -3.32 0.10 0.00 0.03 0.00 0.00 46.19 43.00 3hlv s LEU 495 CO 0.00 0.17 1.10 0.42 0.23 0.00 0.00 176.35 178.27 3hlv s THR 496 N -0.98 2.86 0.19 5.49 -4.23 -1.26 -4.60 115.64 113.11 3hlv s THR 496 Ca 0.37 0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 60.94 3hlv s THR 496 Cb -0.23 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.06 3hlv s THR 496 CO 0.26 -0.37 1.58 -0.07 -0.54 0.00 0.00 174.62 175.48 3hlv h LEU 497 N -1.44 -1.30 -0.38 4.79 4.07 -1.97 0.13 115.31 119.21 3hlv h LEU 497 Ca -0.46 0.24 0.06 0.00 0.08 0.00 0.00 57.88 57.81 3hlv h LEU 497 Cb 1.26 0.63 -0.05 0.00 1.08 0.00 0.00 40.66 43.57 3hlv h LEU 497 CO 0.50 -0.31 0.06 -0.61 -1.08 0.00 0.00 178.44 177.00 3hlv h GLN 498 N -0.16 0.17 0.00 1.13 4.15 -2.00 0.80 115.11 119.20 3hlv h GLN 498 Ca 0.23 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hlv h GLN 498 Cb 0.56 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 3hlv h GLN 498 CO -0.72 0.11 -0.07 1.96 -1.93 0.00 0.00 178.83 178.18 3hlv h GLN 499 N 0.17 0.00 0.61 1.69 4.20 -1.79 -0.70 115.11 119.30 3hlv h GLN 499 Ca 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3hlv h GLN 499 Cb 0.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.01 3hlv h GLN 499 CO -0.26 0.07 -0.30 1.96 -0.67 0.00 0.00 178.83 179.63 3hlv h GLN 500 N 0.00 -0.80 -0.56 1.46 4.20 0.15 -2.56 115.11 117.00 3hlv h GLN 500 Ca -0.00 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.84 3hlv h GLN 500 Cb 0.12 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 3hlv h GLN 500 CO 0.01 -0.53 0.21 0.45 -0.67 0.00 0.00 178.83 178.30 3hlv h HIS 501 N -1.09 0.37 -0.49 2.96 3.86 -0.98 -0.00 115.15 119.78 3hlv h HIS 501 Ca -0.08 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 3hlv h HIS 501 Cb 0.63 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 3hlv h HIS 501 CO 0.02 0.11 -0.08 -0.56 0.86 0.00 0.00 177.93 178.29 3hlv h GLN 502 N 0.40 0.87 0.02 2.45 3.07 -1.21 -1.89 115.11 118.83 3hlv h GLN 502 Ca 0.28 -0.29 -0.22 0.00 0.09 0.00 0.00 58.65 58.51 3hlv h GLN 502 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 3hlv h GLN 502 CO -0.27 0.92 -0.97 -0.09 0.09 0.00 0.00 178.83 178.51 3hlv h ARG 503 N 0.79 0.29 -0.32 0.06 2.43 -1.18 -1.92 114.38 114.53 3hlv h ARG 503 Ca 0.14 -0.34 0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3hlv h ARG 503 Cb 0.58 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 3hlv h ARG 503 CO 0.04 1.06 -0.32 1.25 -1.51 0.00 0.00 179.97 180.49 3hlv h LEU 504 N 0.15 -1.03 0.24 3.80 5.85 -0.65 -1.01 115.31 122.66 3hlv h LEU 504 Ca -0.07 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hlv h LEU 504 Cb 1.62 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 43.11 3hlv h LEU 504 CO 0.16 -0.32 -0.23 0.00 -0.34 0.00 0.00 178.44 177.70 3hlv h ALA 505 N 0.69 -0.48 -0.87 1.25 0.00 -1.26 -1.42 119.26 117.17 3hlv h ALA 505 Ca 0.15 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.22 3hlv h ALA 505 Cb 0.53 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.50 3hlv h ALA 505 CO -0.48 -0.80 0.16 1.96 0.00 0.00 0.00 179.25 180.09 3hlv h GLN 506 N -0.50 0.15 -0.14 0.00 4.20 -0.94 0.46 115.11 118.34 3hlv h GLN 506 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3hlv h GLN 506 Cb 0.46 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hlv h GLN 506 CO -0.05 0.10 0.00 -0.07 -0.67 0.00 0.00 178.83 178.14 3hlv h LEU 507 N 0.15 0.23 -1.50 1.46 3.38 -0.73 -3.04 115.31 115.27 3hlv h LEU 507 Ca 0.53 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hlv h LEU 507 Cb 1.05 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hlv h LEU 507 CO -0.70 0.48 -0.16 -0.07 0.09 0.00 0.00 178.44 178.09 3hlv h LEU 508 N -0.02 0.00 0.00 1.67 4.07 -0.05 -2.90 115.31 118.08 3hlv h LEU 508 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hlv h LEU 508 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3hlv h LEU 508 CO 0.01 0.16 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.30 3hlv h LEU 509 N 0.00 0.00 0.00 1.67 3.38 -0.10 -3.07 115.31 117.19 3hlv h LEU 509 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hlv h LEU 509 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hlv h LEU 509 CO 0.02 0.02 -0.74 0.00 0.09 0.00 0.00 178.44 177.83 3hlv n ILE 510 N -2.27 0.25 0.24 1.22 3.06 -1.10 -3.80 119.36 116.96 3hlv n ILE 510 Ca 0.05 -0.23 0.13 0.00 -2.50 0.00 0.00 62.75 60.20 3hlv n ILE 510 Cb 0.44 0.03 0.51 0.00 0.54 0.00 0.00 39.64 41.16 3hlv n ILE 510 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3hlv h LEU 511 N 0.00 0.00 -0.23 9.51 3.38 -1.55 -1.83 115.31 124.59 3hlv h LEU 511 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3hlv h LEU 511 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3hlv h LEU 511 CO 0.00 0.12 -0.72 0.28 0.09 0.00 0.00 178.44 178.21 3hlv h SER 512 N 0.00 0.90 -0.49 -0.43 0.02 -1.70 -2.10 113.55 109.74 3hlv h SER 512 Ca -0.00 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3hlv h SER 512 Cb 0.69 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3hlv h SER 512 CO 0.02 1.35 0.28 0.45 -1.14 0.00 0.00 176.83 177.79 3hlv h HIS 513 N 0.54 0.52 -0.49 3.45 3.86 -1.53 0.62 115.15 122.12 3hlv h HIS 513 Ca -0.04 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3hlv h HIS 513 Cb 1.34 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 3hlv h HIS 513 CO 0.08 0.29 0.24 0.82 0.86 0.00 0.00 177.93 180.22 3hlv h ILE 514 N 0.56 0.96 -0.22 2.45 1.08 -1.31 -1.07 117.51 119.96 3hlv h ILE 514 Ca 0.20 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 3hlv h ILE 514 Cb 0.05 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3hlv h ILE 514 CO -0.11 0.09 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.24 3hlv h ARG 515 N 0.48 0.36 0.74 2.37 9.65 -0.99 0.31 114.38 127.30 3hlv h ARG 515 Ca 0.21 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3hlv h ARG 515 Cb 0.12 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3hlv h ARG 515 CO -0.15 0.48 -0.36 1.25 2.80 0.00 0.00 179.97 184.00 3hlv h HIS 516 N 0.34 -0.92 -0.97 2.20 2.76 0.28 -1.97 115.15 116.86 3hlv h HIS 516 Ca 0.07 -0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.48 3hlv h HIS 516 Cb 0.41 0.30 -0.13 0.00 1.55 0.00 0.00 27.41 29.55 3hlv h HIS 516 CO 0.01 -0.57 0.52 0.52 -1.30 0.00 0.00 177.93 177.11 3hlv h MET 517 N -1.14 0.43 -0.50 5.26 2.86 -1.17 -1.02 114.93 119.65 3hlv h MET 517 Ca -0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3hlv h MET 517 Cb 0.76 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3hlv h MET 517 CO 0.17 0.29 0.29 1.03 1.06 0.00 0.00 176.91 179.74 3hlv h SER 518 N 0.44 0.61 -0.04 1.22 0.87 -0.72 0.27 113.55 116.19 3hlv h SER 518 Ca 0.65 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 61.16 3hlv h SER 518 Cb 1.31 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 3hlv h SER 518 CO -0.54 0.50 -0.11 0.78 -0.53 0.00 0.00 176.83 176.93 3hlv h ASN 519 N 0.66 -0.32 -0.44 6.23 2.35 -0.48 -1.79 115.58 121.79 3hlv h ASN 519 Ca 0.18 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 3hlv h ASN 519 Cb 0.01 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3hlv h ASN 519 CO -0.03 -0.15 0.01 0.11 -1.65 0.00 0.00 177.43 175.72 3hlv h LYS 520 N -0.17 0.84 0.00 0.81 1.79 -1.02 -2.85 116.57 115.97 3hlv h LYS 520 Ca 0.05 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.25 3hlv h LYS 520 Cb 0.24 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3hlv h LYS 520 CO -0.14 0.83 -0.22 0.78 -1.08 0.00 0.00 179.45 179.63 3hlv h GLY 521 N 0.98 0.00 2.00 3.86 0.00 -0.33 -2.83 103.07 106.75 3hlv h GLY 521 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3hlv h GLY 521 CO 0.02 0.00 -0.12 1.98 0.00 0.00 0.00 176.54 178.42 3hlv h MET 522 N 0.00 0.00 0.00 4.80 1.85 -1.09 0.48 114.93 120.97 3hlv h MET 522 Ca -0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.94 3hlv h MET 522 Cb 0.84 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 3hlv h MET 522 CO 0.03 0.12 -1.74 -0.85 -0.40 0.00 0.00 176.91 174.07 3hlv n GLU 523 N -3.15 0.64 0.06 0.39 0.28 -1.16 -2.65 120.64 115.06 3hlv n GLU 523 Ca 0.03 0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.94 3hlv n GLU 523 Cb 0.51 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.63 3hlv n GLU 523 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3hlv h HIS 524 N 0.00 -0.18 -0.95 -1.84 2.76 -1.49 -1.87 115.15 111.57 3hlv h HIS 524 Ca -0.18 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.21 3hlv h HIS 524 Cb 1.49 0.06 -0.12 0.00 1.55 0.00 0.00 27.41 30.39 3hlv h HIS 524 CO 0.00 0.24 0.51 1.25 -1.30 0.00 0.00 177.93 178.63 3hlv h LEU 525 N -0.67 0.55 -0.58 0.26 5.85 -1.03 0.14 115.31 119.83 3hlv h LEU 525 Ca -0.02 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 3hlv h LEU 525 Cb 0.50 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3hlv h LEU 525 CO 0.03 0.09 -0.60 0.22 -0.34 0.00 0.00 178.44 177.84 3hlv h TYR 526 N 0.54 0.46 0.02 1.25 3.20 -1.42 -2.34 116.97 118.68 3hlv h TYR 526 Ca 0.60 -0.18 -0.20 0.00 3.14 0.00 0.00 58.73 62.09 3hlv h TYR 526 Cb 1.09 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3hlv h TYR 526 CO -0.06 0.87 -0.92 0.66 -1.64 0.00 0.00 178.16 177.07 3hlv h SER 527 N 0.27 0.21 0.47 -2.11 4.64 -0.46 -2.64 113.55 113.93 3hlv h SER 527 Ca -0.00 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 3hlv h SER 527 Cb 1.12 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hlv h SER 527 CO 0.10 1.02 -0.23 0.24 -0.87 0.00 0.00 176.83 177.09 3hlv h MET 528 N 0.08 -0.61 -0.82 4.77 2.86 -0.61 -3.00 114.93 117.60 3hlv h MET 528 Ca -0.04 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3hlv h MET 528 Cb 1.58 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 33.32 3hlv h MET 528 CO 0.14 -0.37 0.53 1.57 1.06 0.00 0.00 176.91 179.84 3hlv h LYS 529 N -0.70 0.66 -0.21 1.72 2.10 -1.40 -2.55 116.57 116.18 3hlv h LYS 529 Ca -0.06 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 3hlv h LYS 529 Cb 0.52 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 3hlv h LYS 529 CO 0.11 0.44 -0.05 0.00 -2.00 0.00 0.00 179.45 177.95 3hlv n LYS 531 N -4.61 0.98 -4.10 0.00 2.85 -1.14 -4.94 118.16 107.19 3hlv n LYS 531 Ca -0.04 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.75 3hlv n LYS 531 Cb 0.28 -1.43 0.01 0.00 -0.65 0.00 0.00 35.03 33.24 3hlv n LYS 531 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3hlv n ASN 532 N -0.05 -3.85 0.04 -5.58 5.15 -0.26 -4.85 115.26 105.86 3hlv n ASN 532 Ca 0.00 -1.31 -0.00 0.00 -0.60 0.00 0.00 54.58 52.67 3hlv n ASN 532 Cb 0.22 -1.64 -0.08 0.00 -0.53 0.00 0.00 39.78 37.75 3hlv n ASN 532 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3hlv h VAL 533 N -2.63 0.54 -2.79 3.44 3.04 -1.82 -3.46 116.25 112.58 3hlv h VAL 533 Ca -0.71 -2.03 -0.12 0.00 -1.01 0.00 0.00 66.70 62.83 3hlv h VAL 533 Cb 1.41 2.07 -0.23 0.00 -2.01 0.00 0.00 31.29 32.53 3hlv h VAL 533 CO 0.53 0.31 -0.23 0.54 -1.01 0.00 0.00 177.57 177.71 3hlv s VAL 534 N -2.92 0.01 0.02 1.51 0.11 -1.26 -4.61 120.40 113.26 3hlv s VAL 534 Ca -0.02 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 3hlv s VAL 534 Cb 0.09 -0.60 -0.06 0.00 -1.53 0.00 0.00 36.38 34.28 3hlv s VAL 534 CO 0.81 -0.06 1.38 -2.16 -3.33 0.00 0.00 175.10 171.74 3hlv s PRO 535 N -0.22 4.30 0.18 1.54 0.04 -1.26 -4.88 135.00 134.70 3hlv s PRO 535 Ca -0.04 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 3hlv s PRO 535 Cb -0.03 -3.51 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 3hlv s PRO 535 CO 0.02 -0.53 0.70 -0.51 0.04 0.00 0.00 177.00 176.72 3hlv s LEU 536 N 2.10 4.45 1.15 -3.56 1.02 -1.26 -4.98 118.68 117.59 3hlv s LEU 536 Ca 0.63 1.43 -0.17 0.00 0.02 0.00 0.00 54.13 56.05 3hlv s LEU 536 Cb -0.32 -3.36 0.21 0.00 0.02 0.00 0.00 46.19 42.73 3hlv s LEU 536 CO 0.27 0.13 0.39 -0.24 0.02 0.00 0.00 176.35 176.92 3hlv n SER 537 N 1.15 -2.99 0.08 2.29 2.88 -1.26 -4.74 113.62 111.03 3hlv n SER 537 Ca -0.05 -0.40 -0.16 0.00 -1.33 0.00 0.00 58.87 56.93 3hlv n SER 537 Cb 0.50 -0.90 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 3hlv n SER 537 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3hlv h ASP 538 N -2.72 0.41 -0.39 -3.46 5.19 -1.99 -2.48 116.42 110.98 3hlv h ASP 538 Ca -0.39 -0.50 -0.12 0.00 -0.62 0.00 0.00 57.03 55.41 3hlv h ASP 538 Cb 1.09 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 3hlv h ASP 538 CO 0.26 1.40 -0.20 0.25 -3.12 0.00 0.00 179.24 177.84 3hlv h LEU 539 N 0.07 0.89 -0.38 1.55 6.46 -1.98 -1.77 115.31 120.15 3hlv h LEU 539 Ca -0.19 -0.32 -0.10 0.00 -0.12 0.00 0.00 57.88 57.15 3hlv h LEU 539 Cb 2.00 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.67 3hlv h LEU 539 CO 0.18 1.06 -0.14 0.25 -0.62 0.00 0.00 178.44 179.18 3hlv h LEU 540 N 0.77 0.78 -0.15 2.25 7.12 -1.91 0.16 115.31 124.33 3hlv h LEU 540 Ca 0.11 -0.38 0.05 0.00 0.13 0.00 0.00 57.88 57.78 3hlv h LEU 540 Cb 0.73 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.60 3hlv h LEU 540 CO 0.06 0.99 -0.17 -0.07 -0.13 0.00 0.00 178.44 179.12 3hlv h LEU 541 N 0.57 -0.52 -0.30 2.25 -0.00 -1.31 -0.97 115.31 115.02 3hlv h LEU 541 Ca 0.09 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 3hlv h LEU 541 Cb 0.67 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.56 3hlv h LEU 541 CO 0.05 -0.21 0.17 -0.08 -0.00 0.00 0.00 178.44 178.37 3hlv h GLU 542 N -0.20 0.35 -0.78 1.13 4.81 -1.03 0.16 114.58 119.02 3hlv h GLU 542 Ca 0.10 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3hlv h GLU 542 Cb 0.35 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 3hlv h GLU 542 CO -0.27 0.23 0.47 1.98 -0.73 0.00 0.00 179.01 180.68 3hlv h MET 543 N 0.36 0.82 -0.06 1.92 4.05 -0.28 -2.68 114.93 119.05 3hlv h MET 543 Ca 0.12 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 3hlv h MET 543 Cb 0.00 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3hlv h MET 543 CO -0.06 0.54 -0.12 1.25 0.23 0.00 0.00 176.91 178.75 3hlv h LEU 544 N 0.85 0.22 -2.47 3.39 5.85 -0.48 -3.23 115.31 119.43 3hlv h LEU 544 Ca 0.35 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3hlv h LEU 544 Cb 0.19 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3hlv h LEU 544 CO -0.18 0.73 0.16 0.44 -0.34 0.00 0.00 178.44 179.26 3hlv h ASP 545 N -0.29 0.00 1.08 1.25 3.45 -0.56 -2.37 116.42 118.99 3hlv h ASP 545 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3hlv h ASP 545 Cb 0.70 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 3hlv h ASP 545 CO 0.03 0.00 -0.34 0.00 -1.57 0.00 0.00 179.24 177.36 3hlv h ALA 546 N 1.71 0.92 0.00 3.45 0.00 -1.49 -2.29 119.26 121.56 3hlv h ALA 546 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hlv h ALA 546 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hlv h ALA 546 CO -0.00 0.42 -0.06 0.72 0.00 0.00 0.00 179.25 180.33 3hlv n HIS 547 N -3.38 0.47 -0.68 0.00 8.25 -0.89 -5.03 115.22 113.96 3hlv n HIS 547 Ca 0.01 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3hlv n HIS 547 Cb 0.54 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3hlv n HIS 547 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87