#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm1 h ALA 307 N 0.00 1.15 0.00 1.47 0.00 -1.99 -2.54 119.26 117.35 3hm1 h ALA 307 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hm1 h ALA 307 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hm1 h ALA 307 CO 0.00 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.15 3hm1 n LEU 308 N -3.95 0.00 -0.71 0.00 4.32 -1.26 -3.41 117.00 111.99 3hm1 n LEU 308 Ca -0.02 0.49 0.07 0.00 -0.02 0.00 0.00 56.01 56.54 3hm1 n LEU 308 Cb 0.51 -0.49 0.13 0.00 -1.62 0.00 0.00 43.42 41.95 3hm1 n LEU 308 CO 0.41 -0.06 0.58 -1.54 -1.22 0.00 0.00 177.39 175.55 3hm1 n SER 309 N -1.49 2.73 -4.81 -1.43 3.41 -0.96 -4.98 113.62 106.08 3hm1 n SER 309 Ca 0.06 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.53 3hm1 n SER 309 Cb 0.30 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3hm1 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hm1 s LEU 310 N -1.10 3.69 0.50 1.04 1.02 -1.22 -5.05 118.68 117.56 3hm1 s LEU 310 Ca 0.24 1.82 -0.12 0.00 0.02 0.00 0.00 54.13 56.09 3hm1 s LEU 310 Cb 0.14 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.75 3hm1 s LEU 310 CO 0.19 -0.88 0.90 0.42 0.02 0.00 0.00 176.35 177.01 3hm1 s THR 311 N -2.27 4.70 0.17 5.49 -4.23 -1.26 -4.87 115.64 113.38 3hm1 s THR 311 Ca 0.64 0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 61.74 3hm1 s THR 311 Cb -0.15 -3.78 0.06 0.00 1.34 0.00 0.00 72.50 69.97 3hm1 s THR 311 CO 0.28 -0.77 1.58 0.00 -0.54 0.00 0.00 174.62 175.17 3hm1 h ALA 312 N 0.63 -0.24 -0.59 3.99 0.00 -1.95 0.23 119.26 121.32 3hm1 h ALA 312 Ca -0.46 0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hm1 h ALA 312 Cb 1.19 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 3hm1 h ALA 312 CO 0.62 -0.77 -0.19 -0.44 0.00 0.00 0.00 179.25 178.48 3hm1 h ASP 313 N -0.25 -0.68 0.40 0.00 3.45 -1.96 0.39 116.42 117.78 3hm1 h ASP 313 Ca 0.18 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3hm1 h ASP 313 Cb 0.56 0.41 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 3hm1 h ASP 313 CO -0.61 -0.23 -0.17 0.00 -1.57 0.00 0.00 179.24 176.67 3hm1 n GLN 314 N -5.43 0.59 0.01 3.56 10.64 -0.82 -0.81 117.38 125.12 3hm1 n GLN 314 Ca 0.06 -0.24 -0.12 0.00 -1.83 0.00 0.00 57.00 54.87 3hm1 n GLN 314 Cb 0.33 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.12 3hm1 n GLN 314 CO 0.00 0.00 0.00 1.98 -1.83 0.00 0.00 177.06 177.21 3hm1 h MET 315 N 0.59 -0.09 -0.49 2.61 4.05 0.14 -2.30 114.93 119.44 3hm1 h MET 315 Ca 0.00 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3hm1 h MET 315 Cb 0.41 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 3hm1 h MET 315 CO 0.00 0.46 0.23 0.28 0.23 0.00 0.00 176.91 178.10 3hm1 h VAL 316 N -0.72 0.92 -0.40 -5.77 2.07 -0.90 -2.64 116.25 108.81 3hm1 h VAL 316 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3hm1 h VAL 316 Cb 0.59 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3hm1 h VAL 316 CO 0.02 0.08 0.25 -1.28 0.02 0.00 0.00 177.57 176.65 3hm1 h SER 317 N 0.44 0.47 0.30 0.57 0.87 -1.03 -0.70 113.55 114.48 3hm1 h SER 317 Ca 0.22 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3hm1 h SER 317 Cb 0.16 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3hm1 h SER 317 CO -0.18 0.37 -0.33 0.00 -0.53 0.00 0.00 176.83 176.17 3hm1 h ALA 318 N 1.12 1.40 0.00 6.23 0.00 -1.28 -2.46 119.26 124.27 3hm1 h ALA 318 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hm1 h ALA 318 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hm1 h ALA 318 CO -0.03 0.44 -0.00 -0.07 0.00 0.00 0.00 179.25 179.59 3hm1 h LEU 319 N 0.04 -0.00 -2.04 0.00 3.38 -1.10 -2.17 115.31 113.42 3hm1 h LEU 319 Ca 0.00 -0.91 0.08 0.00 0.09 0.00 0.00 57.88 57.14 3hm1 h LEU 319 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hm1 h LEU 319 CO 0.04 0.91 0.37 -0.07 0.09 0.00 0.00 178.44 179.79 3hm1 h LEU 320 N -0.92 0.00 0.00 1.67 3.38 -1.13 -1.01 115.31 117.31 3hm1 h LEU 320 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hm1 h LEU 320 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hm1 h LEU 320 CO 0.00 0.00 -1.08 -0.67 0.09 0.00 0.00 178.44 176.78 3hm1 n ASP 321 N -3.53 0.77 0.05 -0.43 2.03 -0.93 -3.95 116.55 110.55 3hm1 n ASP 321 Ca 0.04 -0.69 0.11 0.00 0.52 0.00 0.00 54.79 54.77 3hm1 n ASP 321 Cb 0.50 1.02 0.03 0.00 -0.72 0.00 0.00 41.12 41.96 3hm1 n ASP 321 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hm1 n ALA 322 N -1.64 3.05 -1.35 -1.67 0.00 -0.43 -4.99 120.51 113.49 3hm1 n ALA 322 Ca 0.03 -0.34 -0.52 0.00 0.00 0.00 0.00 53.44 52.61 3hm1 n ALA 322 Cb 0.37 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 3hm1 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hm1 n GLU 323 N -2.19 0.00 -2.15 0.00 -0.58 -0.94 -4.67 120.64 110.12 3hm1 n GLU 323 Ca 0.01 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.41 3hm1 n GLU 323 Cb 0.47 -1.27 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 3hm1 n GLU 323 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3hm1 s PRO 324 N -0.19 3.30 0.63 3.49 0.02 -1.26 -5.04 135.00 135.95 3hm1 s PRO 324 Ca 0.78 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 63.04 3hm1 s PRO 324 Cb -1.09 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 3hm1 s PRO 324 CO 0.52 -0.85 1.16 -1.25 -0.33 0.00 0.00 177.00 176.24 3hm1 s PRO 325 N -3.65 2.82 -0.37 5.54 0.04 -1.26 -4.99 135.00 133.13 3hm1 s PRO 325 Ca 0.68 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 3hm1 s PRO 325 Cb -0.20 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3hm1 s PRO 325 CO 0.31 -1.27 0.96 0.42 0.04 0.00 0.00 177.00 177.46 3hm1 s ILE 326 N -1.97 4.54 0.66 0.56 1.01 -1.26 -5.03 121.20 119.71 3hm1 s ILE 326 Ca 0.72 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 62.54 3hm1 s ILE 326 Cb -0.25 -4.37 0.03 0.00 0.01 0.00 0.00 42.46 37.87 3hm1 s ILE 326 CO 0.37 -0.58 0.99 -0.76 0.00 0.00 0.00 174.94 174.97 3hm1 s LEU 327 N 3.58 3.01 0.29 2.97 1.02 -1.26 -4.99 118.68 123.31 3hm1 s LEU 327 Ca 0.40 0.76 0.08 0.00 0.02 0.00 0.00 54.13 55.39 3hm1 s LEU 327 Cb -0.12 -3.52 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 3hm1 s LEU 327 CO 0.19 -1.30 0.20 -0.31 0.02 0.00 0.00 176.35 175.15 3hm1 s TYR 328 N -3.17 2.96 0.08 0.29 1.51 -1.26 -4.21 117.35 113.55 3hm1 s TYR 328 Ca 0.57 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 3hm1 s TYR 328 Cb -0.11 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.18 3hm1 s TYR 328 CO 0.47 0.42 0.26 0.45 -1.11 0.00 0.00 175.55 176.04 3hm1 s SER 329 N -3.87 6.41 -0.47 2.29 0.15 -1.26 -4.97 113.70 111.98 3hm1 s SER 329 Ca 0.36 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 3hm1 s SER 329 Cb -0.07 -2.01 0.35 0.00 -1.71 0.00 0.00 66.02 62.58 3hm1 s SER 329 CO 0.25 0.14 1.99 1.21 1.20 0.00 0.00 173.24 178.02 3hm1 n GLU 330 N 0.28 2.20 -2.40 5.44 2.13 -1.26 -4.91 120.64 122.12 3hm1 n GLU 330 Ca -0.05 -2.39 -0.41 0.00 0.66 0.00 0.00 57.16 54.98 3hm1 n GLU 330 Cb 0.51 -1.94 -0.04 0.00 0.27 0.00 0.00 31.44 30.25 3hm1 n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3hm1 s TYR 331 N -2.76 3.46 -0.45 4.31 5.04 -1.26 -5.02 117.35 120.67 3hm1 s TYR 331 Ca 0.47 1.55 -0.09 0.00 -2.44 0.00 0.00 57.07 56.56 3hm1 s TYR 331 Cb 0.37 -3.38 0.11 0.00 0.35 0.00 0.00 41.96 39.41 3hm1 s TYR 331 CO 0.00 -0.95 0.32 0.34 -1.34 0.00 0.00 175.55 173.92 3hm1 s ASP 332 N -0.38 5.67 0.00 4.32 3.68 -1.26 -4.95 116.67 123.75 3hm1 s ASP 332 Ca 0.49 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 53.36 3hm1 s ASP 332 Cb -0.33 -2.00 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3hm1 s ASP 332 CO 0.40 -0.65 0.07 -0.81 0.13 0.00 0.00 175.17 174.32 3hm1 n PRO 333 N 4.90 0.02 -0.08 4.34 -0.04 -1.26 -1.87 135.00 141.01 3hm1 n PRO 333 Ca -0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 3hm1 n PRO 333 Cb 0.41 -1.05 -0.15 0.00 -0.04 0.00 0.00 33.50 32.67 3hm1 n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hm1 n THR 334 N -0.55 1.16 -4.00 0.52 -2.24 -1.26 -4.90 114.28 103.01 3hm1 n THR 334 Ca 0.00 -0.78 -0.34 0.00 -2.27 0.00 0.00 64.05 60.66 3hm1 n THR 334 Cb 0.00 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 67.66 3hm1 n THR 334 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hm1 s ARG 335 N -2.58 3.14 1.14 -0.78 1.04 -0.78 -5.11 118.95 115.02 3hm1 s ARG 335 Ca -0.09 -0.76 -0.15 0.00 -1.04 0.00 0.00 55.73 53.69 3hm1 s ARG 335 Cb 0.07 -2.82 0.21 0.00 -2.04 0.00 0.00 34.95 30.36 3hm1 s ARG 335 CO 0.80 -0.23 0.63 -0.35 -0.04 0.00 0.00 175.30 176.10 3hm1 n PRO 336 N 4.70 -2.04 -2.37 3.89 -0.04 -1.26 -4.84 135.00 133.03 3hm1 n PRO 336 Ca -0.19 -0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 62.37 3hm1 n PRO 336 Cb 0.50 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3hm1 n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hm1 s PHE 337 N -2.35 3.15 0.17 0.54 0.40 -1.26 -5.03 117.98 113.60 3hm1 s PHE 337 Ca 0.64 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.50 3hm1 s PHE 337 Cb -0.20 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 3hm1 s PHE 337 CO 0.65 -0.71 0.05 -1.54 0.70 0.00 0.00 175.22 174.38 3hm1 s SER 338 N -2.56 0.72 0.21 1.36 1.04 -1.26 -5.02 113.70 108.20 3hm1 s SER 338 Ca 0.63 -1.25 -0.09 0.00 0.48 0.00 0.00 55.95 55.72 3hm1 s SER 338 Cb -0.14 0.23 0.31 0.00 0.10 0.00 0.00 66.02 66.52 3hm1 s SER 338 CO 0.28 -0.69 1.71 1.05 0.98 0.00 0.00 173.24 176.56 3hm1 h GLU 339 N 2.70 0.26 -0.02 4.02 4.11 -1.98 -1.91 114.58 121.76 3hm1 h GLU 339 Ca -0.36 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 58.88 3hm1 h GLU 339 Cb 1.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3hm1 h GLU 339 CO 0.60 0.17 -0.76 0.00 0.07 0.00 0.00 179.01 179.09 3hm1 h ALA 340 N 1.49 0.69 0.03 1.06 0.00 -1.97 -2.26 119.26 118.30 3hm1 h ALA 340 Ca 0.32 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 3hm1 h ALA 340 Cb 0.48 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hm1 h ALA 340 CO -0.41 0.87 -1.06 0.77 0.00 0.00 0.00 179.25 179.42 3hm1 h SER 341 N 0.09 0.77 -0.18 0.00 0.02 -1.86 -1.91 113.55 110.48 3hm1 h SER 341 Ca -0.02 -0.64 -0.17 0.00 -0.84 0.00 0.00 61.79 60.12 3hm1 h SER 341 Cb 1.33 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 3hm1 h SER 341 CO 0.11 1.45 -0.51 -0.03 -1.14 0.00 0.00 176.83 176.71 3hm1 h MET 342 N 0.31 0.75 -0.23 3.45 -1.53 -1.32 -1.55 114.93 114.81 3hm1 h MET 342 Ca -0.13 -0.46 -0.18 0.00 -3.44 0.00 0.00 59.70 55.50 3hm1 h MET 342 Cb 1.72 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.81 3hm1 h MET 342 CO 0.20 1.08 -0.58 0.52 0.14 0.00 0.00 176.91 178.27 3hm1 h MET 343 N 0.59 0.75 -0.66 0.39 2.07 -1.50 -2.20 114.93 114.37 3hm1 h MET 343 Ca 0.02 -0.49 0.00 0.00 -2.07 0.00 0.00 59.70 57.16 3hm1 h MET 343 Cb 1.09 0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.85 3hm1 h MET 343 CO 0.11 1.12 0.42 0.78 1.07 0.00 0.00 176.91 180.40 3hm1 h GLY 344 N 0.82 0.94 1.56 8.32 0.00 -1.22 -0.84 103.07 112.65 3hm1 h GLY 344 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3hm1 h GLY 344 CO 0.12 0.36 -0.50 -2.00 0.00 0.00 0.00 176.54 174.52 3hm1 h LEU 345 N 0.90 0.51 -0.07 3.11 5.85 -1.08 -1.59 115.31 122.94 3hm1 h LEU 345 Ca 0.24 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 3hm1 h LEU 345 Cb -0.07 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.83 3hm1 h LEU 345 CO -0.05 0.93 -0.66 -0.07 -0.34 0.00 0.00 178.44 178.25 3hm1 h LEU 346 N 0.37 0.71 0.00 2.25 3.38 -0.76 -2.60 115.31 118.65 3hm1 h LEU 346 Ca 0.02 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.22 3hm1 h LEU 346 Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3hm1 h LEU 346 CO 0.09 1.28 -0.46 0.71 0.09 0.00 0.00 178.44 180.16 3hm1 h THR 347 N 0.19 0.66 0.08 0.22 1.35 -1.18 -1.34 112.91 112.89 3hm1 h THR 347 Ca -0.06 -1.94 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3hm1 h THR 347 Cb 1.32 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 3hm1 h THR 347 CO 0.13 0.37 -0.04 -1.13 -0.25 0.00 0.00 175.52 174.61 3hm1 h ASN 348 N 0.00 -0.09 -0.75 5.36 -1.24 -1.38 -2.44 115.58 115.03 3hm1 h ASN 348 Ca -0.01 -0.24 0.04 0.00 0.71 0.00 0.00 56.30 56.80 3hm1 h ASN 348 Cb 1.31 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 40.34 3hm1 h ASN 348 CO 0.05 0.19 0.49 0.25 -1.29 0.00 0.00 177.43 177.12 3hm1 h LEU 349 N -0.38 0.77 -0.34 0.34 6.46 -1.27 -2.07 115.31 118.82 3hm1 h LEU 349 Ca -0.01 -0.01 -0.19 0.00 -0.12 0.00 0.00 57.88 57.55 3hm1 h LEU 349 Cb 0.32 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 3hm1 h LEU 349 CO 0.02 0.52 -0.64 0.00 -0.62 0.00 0.00 178.44 177.72 3hm1 h ALA 350 N 1.57 0.51 -0.42 1.25 0.00 -1.28 -1.89 119.26 119.01 3hm1 h ALA 350 Ca 0.31 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hm1 h ALA 350 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hm1 h ALA 350 CO -0.09 0.70 0.28 -0.44 0.00 0.00 0.00 179.25 179.69 3hm1 h ASP 351 N 0.51 0.43 0.01 0.00 3.45 -0.87 0.42 116.42 120.37 3hm1 h ASP 351 Ca -0.01 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 3hm1 h ASP 351 Cb 1.23 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3hm1 h ASP 351 CO 0.13 0.30 -0.08 0.03 -1.57 0.00 0.00 179.24 178.05 3hm1 h ARG 352 N 0.50 0.03 -0.70 3.56 3.08 -1.34 -3.16 114.38 116.34 3hm1 h ARG 352 Ca 0.16 -0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.36 3hm1 h ARG 352 Cb 0.04 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3hm1 h ARG 352 CO -0.04 1.02 0.50 0.93 -1.07 0.00 0.00 179.97 181.31 3hm1 h GLU 353 N -0.94 0.08 0.11 0.04 5.08 -1.22 -2.34 114.58 115.37 3hm1 h GLU 353 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hm1 h GLU 353 Cb 1.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3hm1 h GLU 353 CO 0.01 0.05 -0.05 1.25 -1.00 0.00 0.00 179.01 179.27 3hm1 h LEU 354 N 0.08 -0.12 -1.90 1.33 6.46 -0.88 0.17 115.31 120.45 3hm1 h LEU 354 Ca 0.34 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3hm1 h LEU 354 Cb 1.23 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3hm1 h LEU 354 CO -0.03 0.03 -0.10 1.62 -0.62 0.00 0.00 178.44 179.33 3hm1 h VAL 355 N -0.26 0.90 -0.06 1.05 3.04 -1.41 -1.66 116.25 117.85 3hm1 h VAL 355 Ca -0.01 -0.38 -0.07 0.00 -1.01 0.00 0.00 66.70 65.23 3hm1 h VAL 355 Cb 0.21 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 3hm1 h VAL 355 CO 0.02 0.10 -0.23 0.45 -1.01 0.00 0.00 177.57 176.91 3hm1 h HIS 356 N 0.00 0.35 -0.72 3.17 3.86 -1.29 -3.22 115.15 117.30 3hm1 h HIS 356 Ca -0.00 -0.15 0.16 0.00 -1.16 0.00 0.00 60.37 59.22 3hm1 h HIS 356 Cb 0.20 -0.06 -0.12 0.00 1.06 0.00 0.00 27.41 28.50 3hm1 h HIS 356 CO 0.00 0.85 0.07 1.98 0.86 0.00 0.00 177.93 181.69 3hm1 h MET 357 N -0.24 0.16 -0.97 2.45 -1.53 0.04 0.06 114.93 114.90 3hm1 h MET 357 Ca -0.01 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 3hm1 h MET 357 Cb 0.86 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.81 3hm1 h MET 357 CO 0.05 0.10 0.63 0.82 0.14 0.00 0.00 176.91 178.65 3hm1 h ILE 358 N 0.16 1.12 -0.15 1.77 1.08 -1.36 0.16 117.51 120.28 3hm1 h ILE 358 Ca 0.40 -0.40 -0.17 0.00 -0.39 0.00 0.00 64.86 64.30 3hm1 h ILE 358 Cb 0.69 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3hm1 h ILE 358 CO -0.58 0.21 -0.61 0.78 -0.69 0.00 0.00 178.15 177.26 3hm1 h ASN 359 N 1.17 0.59 -0.37 1.72 2.35 -1.13 -2.72 115.58 117.18 3hm1 h ASN 359 Ca 0.40 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hm1 h ASN 359 Cb 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3hm1 h ASN 359 CO -0.14 1.05 0.12 -0.25 -1.65 0.00 0.00 177.43 176.56 3hm1 h TRP 360 N 0.39 0.60 -0.79 1.19 7.01 0.24 -2.49 115.95 122.09 3hm1 h TRP 360 Ca -0.01 -0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.00 3hm1 h TRP 360 Cb 1.16 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 3hm1 h TRP 360 CO 0.05 0.57 0.52 0.00 -2.79 0.00 0.00 178.44 176.79 3hm1 h ALA 361 N 0.96 1.64 0.00 2.65 0.00 -0.73 0.18 119.26 123.96 3hm1 h ALA 361 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hm1 h ALA 361 Cb 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hm1 h ALA 361 CO -0.00 0.24 -0.01 0.87 0.00 0.00 0.00 179.25 180.34 3hm1 h LYS 362 N 0.85 0.00 -0.07 0.00 1.57 -1.12 -2.39 116.57 115.41 3hm1 h LYS 362 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3hm1 h LYS 362 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hm1 h LYS 362 CO -0.12 0.01 0.00 -2.13 -0.57 0.00 0.00 179.45 176.64 3hm1 n ARG 363 N -3.45 1.12 -2.24 3.15 0.63 0.53 -4.59 116.66 111.80 3hm1 n ARG 363 Ca -0.03 -1.41 -0.42 0.00 -0.92 0.00 0.00 57.85 55.07 3hm1 n ARG 363 Cb 0.10 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 3hm1 n ARG 363 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hm1 s VAL 364 N -1.11 3.60 0.29 5.15 1.01 -0.59 -4.84 120.40 123.92 3hm1 s VAL 364 Ca 0.17 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 3hm1 s VAL 364 Cb 0.12 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 3hm1 s VAL 364 CO 0.17 0.05 1.60 -2.84 0.00 0.00 0.00 175.10 174.09 3hm1 s PRO 365 N 1.55 4.12 0.00 2.72 0.02 -1.26 -2.35 135.00 139.79 3hm1 s PRO 365 Ca 0.63 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.24 3hm1 s PRO 365 Cb -0.33 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3hm1 s PRO 365 CO 0.29 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 3hm1 n GLY 366 N 2.17 3.33 0.21 0.52 0.00 -1.26 -4.94 105.19 105.23 3hm1 n GLY 366 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3hm1 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hm1 h PHE 367 N 0.00 -0.43 0.00 1.61 3.57 -1.74 -2.50 116.94 117.44 3hm1 h PHE 367 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hm1 h PHE 367 Cb 0.00 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3hm1 h PHE 367 CO 0.00 -0.20 0.00 1.33 -2.23 0.00 0.00 178.31 177.21 3hm1 n VAL 368 N -5.24 0.04 0.14 1.41 0.24 -1.26 -0.96 118.33 112.70 3hm1 n VAL 368 Ca -0.10 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3hm1 n VAL 368 Cb 0.23 -0.71 0.18 0.00 -1.47 0.00 0.00 33.84 32.08 3hm1 n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hm1 h ASP 369 N 0.00 0.00 -3.84 -1.34 3.45 -1.84 -3.45 116.42 109.40 3hm1 h ASP 369 Ca 0.00 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.98 3hm1 h ASP 369 Cb 0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3hm1 h ASP 369 CO 0.00 0.58 0.32 -0.76 -1.57 0.00 0.00 179.24 177.81 3hm1 s LEU 370 N -7.32 4.37 0.60 1.55 1.43 -0.14 -5.02 118.68 114.16 3hm1 s LEU 370 Ca -0.00 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.73 3hm1 s LEU 370 Cb 0.12 -3.93 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 3hm1 s LEU 370 CO 0.75 -0.03 0.45 0.41 0.23 0.00 0.00 176.35 178.15 3hm1 n THR 371 N 0.68 1.97 -0.07 5.49 -1.04 -1.26 -4.63 114.28 115.41 3hm1 n THR 371 Ca 0.01 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.05 61.51 3hm1 n THR 371 Cb 0.50 -0.63 0.20 0.00 -1.82 0.00 0.00 70.33 68.59 3hm1 n THR 371 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hm1 h LEU 372 N 0.09 0.67 -1.45 -4.42 6.46 -1.95 0.11 115.31 114.81 3hm1 h LEU 372 Ca -0.45 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.16 3hm1 h LEU 372 Cb 1.39 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 3hm1 h LEU 372 CO 0.45 0.74 0.32 -0.74 -0.62 0.00 0.00 178.44 178.60 3hm1 h HIS 373 N 0.66 0.67 -0.00 1.25 -0.00 -2.00 -1.21 115.15 114.52 3hm1 h HIS 373 Ca 0.13 0.01 -0.24 0.00 -0.00 0.00 0.00 60.37 60.27 3hm1 h HIS 373 Cb 0.41 -0.22 0.02 0.00 -0.00 0.00 0.00 27.41 27.62 3hm1 h HIS 373 CO 0.02 0.44 -0.93 -0.44 -0.00 0.00 0.00 177.93 177.01 3hm1 h ASP 374 N 0.71 0.82 -0.80 3.26 5.19 -1.53 -2.90 116.42 121.17 3hm1 h ASP 374 Ca 0.19 -0.74 0.06 0.00 -0.62 0.00 0.00 57.03 55.91 3hm1 h ASP 374 Cb -0.05 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 39.16 3hm1 h ASP 374 CO -0.04 1.46 0.49 1.56 -3.12 0.00 0.00 179.24 179.59 3hm1 h GLN 375 N 0.27 0.88 0.19 3.56 4.20 -0.52 -1.19 115.11 122.51 3hm1 h GLN 375 Ca -0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3hm1 h GLN 375 Cb 1.60 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.18 3hm1 h GLN 375 CO 0.18 0.58 -0.09 0.28 -0.67 0.00 0.00 178.83 179.12 3hm1 h VAL 376 N 0.91 0.83 -0.93 -0.54 2.07 -1.28 -2.18 116.25 115.13 3hm1 h VAL 376 Ca 0.35 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.86 3hm1 h VAL 376 Cb 0.15 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3hm1 h VAL 376 CO -0.16 0.02 0.60 -0.74 0.02 0.00 0.00 177.57 177.31 3hm1 h HIS 377 N -0.30 1.06 -0.27 1.57 -0.00 -1.25 0.20 115.15 116.16 3hm1 h HIS 377 Ca -0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3hm1 h HIS 377 Cb 0.23 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 3hm1 h HIS 377 CO -0.05 0.52 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.32 3hm1 h LEU 378 N 1.01 0.47 -0.63 0.26 3.38 -1.11 -3.14 115.31 115.56 3hm1 h LEU 378 Ca 0.42 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3hm1 h LEU 378 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hm1 h LEU 378 CO -0.17 0.67 -0.29 -0.07 0.09 0.00 0.00 178.44 178.67 3hm1 h LEU 379 N 0.26 0.79 -0.85 1.67 4.07 -0.78 -1.19 115.31 119.28 3hm1 h LEU 379 Ca 0.07 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3hm1 h LEU 379 Cb 0.43 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3hm1 h LEU 379 CO 0.02 1.03 0.00 -0.62 -1.08 0.00 0.00 178.44 177.78 3hm1 n GLU 380 N -4.08 0.03 0.00 1.13 1.02 0.66 -1.17 120.64 118.22 3hm1 n GLU 380 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hm1 n GLU 380 Cb 0.47 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 3hm1 n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hm1 n ALA 382 N 0.34 0.00 -0.25 0.62 0.00 -0.45 -4.86 120.51 115.91 3hm1 n ALA 382 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3hm1 n ALA 382 Cb 0.01 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 3hm1 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3hm1 h TRP 383 N 0.00 0.31 -0.00 0.00 5.08 -1.37 0.11 115.95 120.08 3hm1 h TRP 383 Ca 0.00 0.04 -0.26 0.00 1.08 0.00 0.00 58.89 59.75 3hm1 h TRP 383 Cb 0.00 -0.02 0.02 0.00 -3.00 0.00 0.00 29.16 26.16 3hm1 h TRP 383 CO 0.00 -0.07 -1.01 1.25 -1.28 0.00 0.00 178.44 177.33 3hm1 h LEU 384 N 0.29 0.89 -0.46 0.11 5.85 -1.89 -1.47 115.31 118.63 3hm1 h LEU 384 Ca 0.42 -0.74 0.09 0.00 0.84 0.00 0.00 57.88 58.50 3hm1 h LEU 384 Cb 0.72 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 3hm1 h LEU 384 CO -0.51 1.51 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.99 3hm1 h GLU 385 N 0.36 0.07 -0.62 1.25 4.81 -1.45 0.17 114.58 119.17 3hm1 h GLU 385 Ca -0.12 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3hm1 h GLU 385 Cb 1.66 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.00 3hm1 h GLU 385 CO 0.20 0.05 0.34 0.82 -0.73 0.00 0.00 179.01 179.68 3hm1 h ILE 386 N 0.07 1.20 -0.40 2.32 2.04 -0.77 -1.14 117.51 120.83 3hm1 h ILE 386 Ca 0.23 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3hm1 h ILE 386 Cb 0.35 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3hm1 h ILE 386 CO -0.42 0.21 0.12 0.25 0.00 0.00 0.00 178.15 178.31 3hm1 h LEU 387 N 0.84 0.09 -0.48 1.44 5.85 -0.49 -1.70 115.31 120.86 3hm1 h LEU 387 Ca 0.22 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3hm1 h LEU 387 Cb 0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hm1 h LEU 387 CO -0.03 0.09 -0.04 0.24 -0.34 0.00 0.00 178.44 178.35 3hm1 h MET 388 N 0.26 0.88 -0.54 1.25 2.86 -0.24 -1.31 114.93 118.09 3hm1 h MET 388 Ca 0.19 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 3hm1 h MET 388 Cb 0.20 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3hm1 h MET 388 CO -0.22 0.94 -0.06 0.97 1.06 0.00 0.00 176.91 179.60 3hm1 h ILE 389 N 0.73 1.26 -0.42 -1.22 2.10 -1.07 -0.51 117.51 118.39 3hm1 h ILE 389 Ca 0.13 -1.20 0.08 0.00 1.08 0.00 0.00 64.86 64.95 3hm1 h ILE 389 Cb 0.57 0.91 -0.07 0.00 -1.09 0.00 0.00 36.82 37.14 3hm1 h ILE 389 CO 0.03 0.43 0.01 1.23 -1.08 0.00 0.00 178.15 178.77 3hm1 h GLY 390 N 0.97 0.43 0.94 8.18 0.00 -0.98 0.23 103.07 112.83 3hm1 h GLY 390 Ca 0.15 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3hm1 h GLY 390 CO 0.04 -0.10 0.36 -2.00 0.00 0.00 0.00 176.54 174.84 3hm1 h LEU 391 N 0.12 0.61 -0.40 3.11 5.85 -0.86 -2.71 115.31 121.03 3hm1 h LEU 391 Ca 0.21 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3hm1 h LEU 391 Cb 0.30 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3hm1 h LEU 391 CO -0.34 0.44 -0.08 0.58 -0.34 0.00 0.00 178.44 178.70 3hm1 h VAL 392 N 0.73 1.27 0.05 1.05 2.07 -0.48 -2.25 116.25 118.69 3hm1 h VAL 392 Ca 0.22 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3hm1 h VAL 392 Cb -0.03 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3hm1 h VAL 392 CO -0.07 0.39 -0.49 -0.25 0.02 0.00 0.00 177.57 177.17 3hm1 h TRP 393 N 0.57 -1.40 -0.01 1.57 -0.00 -0.44 -2.58 115.95 113.67 3hm1 h TRP 393 Ca 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 3hm1 h TRP 393 Cb 0.59 0.61 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 3hm1 h TRP 393 CO 0.05 -0.55 -0.04 2.89 -0.00 0.00 0.00 178.44 180.78 3hm1 n ARG 394 N -5.47 1.03 -0.01 2.65 1.85 -1.03 -1.91 116.66 113.76 3hm1 n ARG 394 Ca -0.07 -0.33 0.13 0.00 -1.00 0.00 0.00 57.85 56.58 3hm1 n ARG 394 Cb 0.39 -1.49 0.26 0.00 -1.05 0.00 0.00 32.46 30.57 3hm1 n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3hm1 n SER 395 N -0.70 2.46 -0.25 2.89 7.64 -0.85 -4.62 113.62 120.20 3hm1 n SER 395 Ca 0.19 -1.82 0.02 0.00 1.01 0.00 0.00 58.87 58.27 3hm1 n SER 395 Cb 0.24 -0.02 0.15 0.00 -1.01 0.00 0.00 64.21 63.57 3hm1 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3hm1 h MET 396 N 3.80 0.59 -0.75 1.43 4.05 -0.99 -2.04 114.93 121.01 3hm1 h MET 396 Ca 0.00 -0.04 -0.50 0.00 -0.28 0.00 0.00 59.70 58.88 3hm1 h MET 396 Cb 0.81 -0.13 -0.30 0.00 -0.80 0.00 0.00 31.60 31.18 3hm1 h MET 396 CO 0.00 0.39 0.01 0.39 0.23 0.00 0.00 176.91 177.92 3hm1 n GLU 397 N -4.86 2.79 -3.39 0.39 1.02 -1.26 -4.54 120.64 110.78 3hm1 n GLU 397 Ca 0.12 -3.58 -0.27 0.00 -0.02 0.00 0.00 57.16 53.42 3hm1 n GLU 397 Cb 0.29 -2.16 -0.08 0.00 -0.02 0.00 0.00 31.44 29.47 3hm1 n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hm1 n HIS 398 N -0.91 2.96 -1.53 -0.32 8.25 -0.77 -5.10 115.22 117.80 3hm1 n HIS 398 Ca 0.49 -4.06 -0.52 0.00 -0.26 0.00 0.00 57.72 53.37 3hm1 n HIS 398 Cb 0.92 -0.52 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 3hm1 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3hm1 n PRO 399 N 0.98 0.67 -1.00 -0.41 -0.02 -1.26 -1.84 135.00 132.12 3hm1 n PRO 399 Ca 0.28 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3hm1 n PRO 399 Cb 0.43 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3hm1 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hm1 n GLY 400 N 1.94 0.76 3.15 -1.23 0.00 -1.26 -5.01 105.19 103.54 3hm1 n GLY 400 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3hm1 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hm1 s LYS 401 N -0.00 0.82 -0.25 1.61 1.02 -0.77 -3.19 119.74 118.98 3hm1 s LYS 401 Ca 0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 55.97 54.64 3hm1 s LYS 401 Cb 0.00 0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 3hm1 s LYS 401 CO 0.00 -0.12 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.72 3hm1 s LEU 402 N -3.02 3.18 -1.21 3.17 1.43 -0.63 -4.85 118.68 116.75 3hm1 s LEU 402 Ca 0.15 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 3hm1 s LEU 402 Cb 0.07 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.76 3hm1 s LEU 402 CO -0.04 -0.14 1.58 -0.22 0.23 0.00 0.00 176.35 177.76 3hm1 s LEU 403 N 1.27 4.17 0.26 1.79 0.20 -1.26 -1.61 118.68 123.50 3hm1 s LEU 403 Ca -0.02 -2.42 -0.02 0.00 0.69 0.00 0.00 54.13 52.37 3hm1 s LEU 403 Cb -0.17 -2.52 0.34 0.00 -0.43 0.00 0.00 46.19 43.40 3hm1 s LEU 403 CO -0.05 -1.11 1.76 -0.26 -0.29 0.00 0.00 176.35 176.40 3hm1 h PHE 404 N 7.87 0.84 -2.72 5.38 -1.00 -1.73 -3.44 116.94 122.15 3hm1 h PHE 404 Ca 0.36 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 60.94 3hm1 h PHE 404 Cb 0.90 -0.23 -0.18 0.00 3.61 0.00 0.00 35.95 40.05 3hm1 h PHE 404 CO 1.31 0.77 -0.05 0.00 -1.61 0.00 0.00 178.31 178.73 3hm1 s ALA 405 N -4.99 -1.20 0.39 2.45 0.00 -1.02 -4.95 121.76 112.45 3hm1 s ALA 405 Ca -0.09 0.63 0.20 0.00 0.00 0.00 0.00 51.96 52.69 3hm1 s ALA 405 Cb 0.15 0.19 1.16 0.00 0.00 0.00 0.00 23.12 24.61 3hm1 s ALA 405 CO 0.81 -0.39 1.72 -1.35 0.00 0.00 0.00 175.76 176.55 3hm1 h PRO 406 N 3.21 0.32 -0.62 0.00 0.11 -1.87 0.66 132.00 133.80 3hm1 h PRO 406 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hm1 h PRO 406 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hm1 h PRO 406 CO 0.41 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 3hm1 n ASN 407 N -4.71 5.32 -3.17 -2.05 2.04 -1.26 -4.61 115.26 106.82 3hm1 n ASN 407 Ca 0.29 -2.70 -0.21 0.00 -0.44 0.00 0.00 54.58 51.53 3hm1 n ASN 407 Cb 1.01 -0.64 -0.06 0.00 -2.53 0.00 0.00 39.78 37.56 3hm1 n ASN 407 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3hm1 n LEU 408 N 0.90 -1.00 -4.37 -4.53 7.94 0.23 -4.88 117.00 111.29 3hm1 n LEU 408 Ca 0.27 -4.14 -0.40 0.00 -1.11 0.00 0.00 56.01 50.63 3hm1 n LEU 408 Cb 1.06 0.64 -0.11 0.00 0.53 0.00 0.00 43.42 45.53 3hm1 n LEU 408 CO 0.29 1.95 -0.18 -1.48 -1.11 0.00 0.00 177.39 176.86 3hm1 s LEU 409 N -0.27 4.60 -0.26 -1.96 -0.00 -1.24 -1.88 118.68 117.66 3hm1 s LEU 409 Ca 0.33 -0.96 -0.11 0.00 -0.00 0.00 0.00 54.13 53.39 3hm1 s LEU 409 Cb 0.09 -2.00 -0.05 0.00 -0.00 0.00 0.00 46.19 44.23 3hm1 s LEU 409 CO -0.16 -0.36 0.17 -0.76 -0.00 0.00 0.00 176.35 175.25 3hm1 s LEU 410 N 1.54 4.03 0.71 1.48 1.02 -0.63 -4.86 118.68 121.98 3hm1 s LEU 410 Ca 0.02 0.03 -0.11 0.00 0.02 0.00 0.00 54.13 54.09 3hm1 s LEU 410 Cb -0.19 -2.10 0.02 0.00 0.02 0.00 0.00 46.19 43.94 3hm1 s LEU 410 CO 0.06 -0.00 1.07 -0.62 0.02 0.00 0.00 176.35 176.88 3hm1 s ASP 411 N 1.47 5.12 0.43 2.29 -1.08 -1.26 -1.61 116.67 122.03 3hm1 s ASP 411 Ca 0.07 1.70 0.19 0.00 -0.52 0.00 0.00 52.55 54.00 3hm1 s ASP 411 Cb -0.15 -2.51 1.13 0.00 -1.46 0.00 0.00 42.92 39.94 3hm1 s ASP 411 CO 0.08 -1.62 1.85 -0.09 0.52 0.00 0.00 175.17 175.91 3hm1 h ARG 412 N -0.77 0.35 -0.49 4.34 1.12 -1.95 -0.49 114.38 116.49 3hm1 h ARG 412 Ca -0.44 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.31 3hm1 h ARG 412 Cb 1.22 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.08 3hm1 h ARG 412 CO 0.55 0.23 -0.07 -0.91 -3.11 0.00 0.00 179.97 176.65 3hm1 h ASN 413 N 0.36 0.91 0.12 -3.80 4.21 -1.91 -2.85 115.58 112.63 3hm1 h ASN 413 Ca 0.48 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.65 3hm1 h ASN 413 Cb 1.27 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 3hm1 h ASN 413 CO -0.17 1.04 0.00 1.67 -1.29 0.00 0.00 177.43 178.68 3hm1 n GLN 414 N -4.25 0.00 0.17 0.81 7.27 -0.20 -0.69 117.38 120.49 3hm1 n GLN 414 Ca 0.01 0.42 0.13 0.00 0.07 0.00 0.00 57.00 57.63 3hm1 n GLN 414 Cb 0.37 -1.50 0.58 0.00 2.41 0.00 0.00 30.24 32.10 3hm1 n GLN 414 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3hm1 h GLY 415 N 0.64 0.00 -4.79 1.69 0.00 -1.49 -3.40 103.07 95.72 3hm1 h GLY 415 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3hm1 h GLY 415 CO 0.00 0.00 1.77 0.28 0.00 0.00 0.00 176.54 178.59 3hm1 n LYS 416 N -2.37 3.21 0.00 4.80 5.02 0.13 -3.06 118.16 125.89 3hm1 n LYS 416 Ca 0.01 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 3hm1 n LYS 416 Cb 0.17 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 3hm1 n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hm1 n VAL 418 N 2.40 0.00 -2.01 -0.18 0.31 -1.26 -4.91 118.33 112.68 3hm1 n VAL 418 Ca 0.60 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.51 3hm1 n VAL 418 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.38 3hm1 n VAL 418 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hm1 s GLU 419 N 0.00 4.23 0.00 5.55 2.12 -1.26 -2.13 118.70 127.21 3hm1 s GLU 419 Ca 0.00 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.57 3hm1 s GLU 419 Cb 0.00 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3hm1 s GLU 419 CO 0.00 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 3hm1 n GLY 420 N 3.82 1.32 0.08 -1.50 0.00 -1.26 -4.92 105.19 102.73 3hm1 n GLY 420 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3hm1 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hm1 h MET 421 N 3.23 0.00 -0.98 1.61 -1.53 -1.62 -3.36 114.93 112.28 3hm1 h MET 421 Ca 0.00 0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.38 3hm1 h MET 421 Cb 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 31.60 30.97 3hm1 h MET 421 CO 0.00 0.68 0.61 -0.24 0.14 0.00 0.00 176.91 178.10 3hm1 h VAL 422 N 0.00 0.91 0.09 -5.77 3.04 -1.71 -0.38 116.25 112.43 3hm1 h VAL 422 Ca -0.11 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3hm1 h VAL 422 Cb 1.77 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3hm1 h VAL 422 CO 0.09 0.18 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.71 3hm1 h GLU 423 N 0.96 -0.12 -0.30 4.17 4.81 -1.92 -1.05 114.58 121.14 3hm1 h GLU 423 Ca 0.49 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.66 3hm1 h GLU 423 Cb 0.49 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3hm1 h GLU 423 CO -0.27 -0.03 -0.09 0.82 -0.73 0.00 0.00 179.01 178.71 3hm1 h ILE 424 N -0.17 1.22 -0.01 2.32 2.04 -1.59 -2.72 117.51 118.60 3hm1 h ILE 424 Ca -0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3hm1 h ILE 424 Cb 0.14 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3hm1 h ILE 424 CO 0.02 0.31 -0.02 -0.26 0.00 0.00 0.00 178.15 178.20 3hm1 h PHE 425 N 0.46 -0.05 -0.95 1.37 -1.00 -0.80 -2.22 116.94 113.75 3hm1 h PHE 425 Ca 0.09 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.96 3hm1 h PHE 425 Cb 0.44 0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.95 3hm1 h PHE 425 CO 0.01 -0.03 0.61 -0.44 -1.61 0.00 0.00 178.31 176.85 3hm1 h ASP 426 N -0.03 0.90 0.12 2.17 3.45 -0.93 0.63 116.42 122.73 3hm1 h ASP 426 Ca 0.01 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.34 3hm1 h ASP 426 Cb 0.04 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 3hm1 h ASP 426 CO -0.02 0.53 -0.57 0.24 -1.57 0.00 0.00 179.24 177.84 3hm1 h MET 427 N 0.99 0.47 -0.31 3.56 2.86 -1.37 -1.75 114.93 119.38 3hm1 h MET 427 Ca 0.44 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3hm1 h MET 427 Cb 0.36 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3hm1 h MET 427 CO -0.20 0.91 0.02 -0.07 1.06 0.00 0.00 176.91 178.63 3hm1 h LEU 428 N 0.36 0.53 -0.69 1.22 3.38 -0.62 -2.50 115.31 116.98 3hm1 h LEU 428 Ca 0.00 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 3hm1 h LEU 428 Cb 1.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3hm1 h LEU 428 CO 0.10 0.69 -0.41 0.17 0.09 0.00 0.00 178.44 179.09 3hm1 h LEU 429 N 0.35 0.57 -0.12 1.67 8.10 -0.91 -1.84 115.31 123.14 3hm1 h LEU 429 Ca 0.09 -0.25 0.05 0.00 0.11 0.00 0.00 57.88 57.87 3hm1 h LEU 429 Cb 0.41 -0.16 -0.06 0.00 -0.44 0.00 0.00 40.66 40.41 3hm1 h LEU 429 CO 0.01 0.91 -0.27 0.00 -4.11 0.00 0.00 178.44 174.99 3hm1 h ALA 430 N 1.11 -0.28 -0.87 0.17 0.00 -1.27 0.35 119.26 118.47 3hm1 h ALA 430 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hm1 h ALA 430 Cb 0.90 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3hm1 h ALA 430 CO 0.08 -0.74 0.57 1.15 0.00 0.00 0.00 179.25 180.32 3hm1 h THR 431 N -0.34 1.20 -0.38 0.00 2.02 -1.22 -0.38 112.91 113.80 3hm1 h THR 431 Ca 0.10 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3hm1 h THR 431 Cb 0.49 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3hm1 h THR 431 CO -0.31 0.21 -0.17 -1.28 0.37 0.00 0.00 175.52 174.33 3hm1 h SER 432 N 1.15 0.72 0.51 4.18 0.87 -0.74 -0.50 113.55 119.74 3hm1 h SER 432 Ca 0.33 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3hm1 h SER 432 Cb -0.09 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 3hm1 h SER 432 CO -0.08 0.90 -0.04 0.28 -0.53 0.00 0.00 176.83 177.35 3hm1 h SER 433 N 0.64 0.00 0.00 6.23 0.02 0.12 -2.64 113.55 117.92 3hm1 h SER 433 Ca 0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3hm1 h SER 433 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hm1 h SER 433 CO 0.05 0.04 -0.23 -0.09 -1.14 0.00 0.00 176.83 175.46 3hm1 h ARG 434 N 0.00 0.00 -0.84 3.45 1.12 0.24 -2.74 114.38 115.61 3hm1 h ARG 434 Ca -0.00 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.07 3hm1 h ARG 434 Cb 0.31 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 30.12 3hm1 h ARG 434 CO 0.01 0.49 -0.02 0.74 -3.11 0.00 0.00 179.97 178.08 3hm1 h PHE 435 N -1.00 -0.11 -0.64 2.20 0.05 -1.20 0.12 116.94 116.37 3hm1 h PHE 435 Ca -0.05 0.06 -0.09 0.00 3.82 0.00 0.00 57.97 61.72 3hm1 h PHE 435 Cb 0.60 0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.70 3hm1 h PHE 435 CO 0.08 -0.31 0.06 -0.09 -0.18 0.00 0.00 178.31 177.87 3hm1 h ARG 436 N 0.07 1.09 0.02 1.51 2.43 -1.61 0.15 114.38 118.04 3hm1 h ARG 436 Ca 0.46 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3hm1 h ARG 436 Cb 0.84 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3hm1 h ARG 436 CO -0.77 1.03 -0.05 1.98 -1.51 0.00 0.00 179.97 180.65 3hm1 h MET 437 N 1.01 -0.10 0.00 0.20 4.05 -0.55 -0.96 114.93 118.58 3hm1 h MET 437 Ca 0.19 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 3hm1 h MET 437 Cb 0.50 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3hm1 h MET 437 CO 0.02 -0.07 0.00 -1.33 0.23 0.00 0.00 176.91 175.77 3hm1 n MET 438 N -5.16 0.44 -3.64 0.39 2.81 0.05 -4.92 117.12 107.08 3hm1 n MET 438 Ca -0.06 0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 3hm1 n MET 438 Cb 0.09 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 3hm1 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hm1 n ASN 439 N -1.22 -5.48 -4.70 7.83 5.15 0.12 -4.90 115.26 112.05 3hm1 n ASN 439 Ca 0.13 -0.97 -0.39 0.00 -0.60 0.00 0.00 54.58 52.76 3hm1 n ASN 439 Cb 0.17 -3.45 0.04 0.00 -0.53 0.00 0.00 39.78 36.01 3hm1 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3hm1 n LEU 440 N -3.99 4.82 -4.63 1.20 7.94 0.28 -5.01 117.00 117.61 3hm1 n LEU 440 Ca -0.10 0.94 -0.30 0.00 -1.11 0.00 0.00 56.01 55.44 3hm1 n LEU 440 Cb 0.59 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.94 3hm1 n LEU 440 CO 0.66 -0.99 -0.38 -1.10 -1.11 0.00 0.00 177.39 174.47 3hm1 s GLN 441 N -2.79 2.33 0.52 1.96 -1.52 -1.26 -4.98 119.66 113.93 3hm1 s GLN 441 Ca 0.72 -0.93 0.19 0.00 -1.95 0.00 0.00 55.36 53.39 3hm1 s GLN 441 Cb -0.43 -2.42 1.32 0.00 -0.22 0.00 0.00 33.01 31.26 3hm1 s GLN 441 CO 0.49 0.53 2.10 0.78 -0.25 0.00 0.00 175.29 178.94 3hm1 h GLY 442 N 3.57 0.00 1.27 3.09 0.00 -1.98 0.13 103.07 109.15 3hm1 h GLY 442 Ca -0.48 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 3hm1 h GLY 442 CO 0.56 0.00 -0.41 0.83 0.00 0.00 0.00 176.54 177.52 3hm1 h GLU 443 N 0.00 0.79 -0.41 4.80 3.07 -1.98 -1.97 114.58 118.88 3hm1 h GLU 443 Ca 0.08 -0.42 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 3hm1 h GLU 443 Cb 0.34 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3hm1 h GLU 443 CO -0.00 1.05 -0.17 0.93 -1.40 0.00 0.00 179.01 179.42 3hm1 h GLU 444 N 0.65 0.84 -0.35 2.33 5.08 -1.59 -3.15 114.58 118.39 3hm1 h GLU 444 Ca 0.05 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 3hm1 h GLU 444 Cb 0.97 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 3hm1 h GLU 444 CO 0.09 0.99 0.02 0.35 -1.00 0.00 0.00 179.01 179.47 3hm1 h PHE 445 N 0.66 0.03 0.00 4.33 3.57 -0.67 -0.48 116.94 124.37 3hm1 h PHE 445 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3hm1 h PHE 445 Cb 0.72 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3hm1 h PHE 445 CO 0.05 -0.04 -0.17 -0.39 -2.23 0.00 0.00 178.31 175.54 3hm1 h VAL 446 N 0.13 0.50 0.10 1.41 -1.51 -1.38 -1.54 116.25 113.95 3hm1 h VAL 446 Ca 0.17 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3hm1 h VAL 446 Cb 0.22 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3hm1 h VAL 446 CO -0.26 0.16 -0.05 0.00 -1.23 0.00 0.00 177.57 176.19 3hm1 h LEU 448 N -0.70 -1.60 -0.73 0.00 3.38 -0.43 0.24 115.31 115.47 3hm1 h LEU 448 Ca -0.01 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.31 3hm1 h LEU 448 Cb 0.54 0.64 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 3hm1 h LEU 448 CO 0.02 -0.45 -0.18 0.50 0.09 0.00 0.00 178.44 178.42 3hm1 h LYS 449 N -0.50 -0.00 -0.53 1.13 3.64 -1.43 0.13 116.57 119.01 3hm1 h LYS 449 Ca 0.06 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3hm1 h LYS 449 Cb 0.65 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3hm1 h LYS 449 CO -0.47 -0.00 0.07 0.77 -2.27 0.00 0.00 179.45 177.55 3hm1 h SER 450 N -0.00 0.81 -0.40 4.20 0.02 -0.84 -2.33 113.55 115.00 3hm1 h SER 450 Ca 0.35 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3hm1 h SER 450 Cb 0.53 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3hm1 h SER 450 CO -0.75 0.83 0.17 0.40 -1.14 0.00 0.00 176.83 176.34 3hm1 h ILE 451 N 0.81 1.18 -0.58 3.27 2.04 0.19 -2.39 117.51 122.02 3hm1 h ILE 451 Ca 0.17 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3hm1 h ILE 451 Cb 0.39 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3hm1 h ILE 451 CO 0.01 0.20 0.27 0.40 0.00 0.00 0.00 178.15 179.03 3hm1 h ILE 452 N 0.50 0.87 -0.93 -0.67 2.04 -0.60 0.37 117.51 119.09 3hm1 h ILE 452 Ca 0.13 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3hm1 h ILE 452 Cb 0.15 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 3hm1 h ILE 452 CO -0.01 0.09 0.61 0.25 0.00 0.00 0.00 178.15 179.08 3hm1 h LEU 453 N 0.49 0.98 0.01 1.44 5.85 -1.12 -2.05 115.31 120.91 3hm1 h LEU 453 Ca 0.28 -0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.68 3hm1 h LEU 453 Cb 0.26 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3hm1 h LEU 453 CO -0.23 0.66 -1.84 0.18 -0.34 0.00 0.00 178.44 176.87 3hm1 n LEU 454 N -4.46 0.84 0.05 2.25 4.77 -0.75 -4.41 117.00 115.29 3hm1 n LEU 454 Ca 0.13 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 3hm1 n LEU 454 Cb 0.14 0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 3hm1 n LEU 454 CO 0.34 0.43 -0.23 -1.13 -1.33 0.00 0.00 177.39 175.47 3hm1 h ASN 455 N 0.00 0.50 -0.50 -1.43 -1.24 -0.26 -3.38 115.58 109.27 3hm1 h ASN 455 Ca -0.34 -0.91 0.11 0.00 0.71 0.00 0.00 56.30 55.88 3hm1 h ASN 455 Cb 2.05 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.91 3hm1 h ASN 455 CO 0.07 1.56 0.35 0.28 -1.29 0.00 0.00 177.43 178.40 3hm1 h SER 456 N -0.23 0.16 -0.07 1.15 0.02 -1.56 -2.76 113.55 110.25 3hm1 h SER 456 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3hm1 h SER 456 Cb 1.80 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3hm1 h SER 456 CO 0.13 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 3hm1 n GLY 457 N -1.58 1.43 0.16 -3.77 0.00 -1.26 -4.74 105.19 95.43 3hm1 n GLY 457 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3hm1 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hm1 h VAL 458 N 0.65 1.16 0.00 1.61 3.04 -1.66 -3.01 116.25 118.03 3hm1 h VAL 458 Ca 0.00 -1.78 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 3hm1 h VAL 458 Cb 0.41 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3hm1 h VAL 458 CO 0.00 0.48 -0.46 -1.22 -1.01 0.00 0.00 177.57 175.35 3hm1 n TYR 459 N -3.69 0.18 -1.44 3.17 4.02 -1.26 -3.80 117.16 114.34 3hm1 n TYR 459 Ca -0.01 0.05 -0.29 0.00 -0.01 0.00 0.00 57.90 57.65 3hm1 n TYR 459 Cb 0.55 -0.42 0.10 0.00 -0.02 0.00 0.00 39.34 39.55 3hm1 n TYR 459 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3hm1 n THR 460 N -1.70 3.29 0.00 -0.72 5.66 -1.14 -5.26 114.28 114.41 3hm1 n THR 460 Ca 0.05 -2.95 0.00 0.00 -3.05 0.00 0.00 64.05 58.10 3hm1 n THR 460 Cb 0.37 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 3hm1 n THR 460 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3hm1 n PHE 461 N -0.94 0.00 0.00 1.09 0.99 -1.25 -5.11 117.46 112.24 3hm1 n PHE 461 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.02 3hm1 n PHE 461 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.40 3hm1 n PHE 461 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3hm1 n GLU 470 N 0.00 0.00 0.00 -1.08 1.02 -1.26 -5.17 120.64 114.15 3hm1 n GLU 470 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3hm1 n GLU 470 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 31.69 3hm1 n GLU 470 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hm1 n GLU 471 N -0.41 1.69 -0.28 3.49 1.02 -1.26 -3.73 120.64 121.16 3hm1 n GLU 471 Ca 0.00 -1.23 0.08 0.00 -0.02 0.00 0.00 57.16 55.99 3hm1 n GLU 471 Cb 0.00 -1.47 0.31 0.00 -0.02 0.00 0.00 31.44 30.25 3hm1 n GLU 471 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hm1 h LYS 472 N 3.01 0.83 0.49 3.49 1.57 -1.99 0.59 116.57 124.57 3hm1 h LYS 472 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3hm1 h LYS 472 Cb 0.72 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hm1 h LYS 472 CO 0.00 0.55 -0.24 0.22 -0.57 0.00 0.00 179.45 179.42 3hm1 h ASP 473 N 0.86 -0.56 -0.74 0.86 3.58 -1.99 -0.25 116.42 118.18 3hm1 h ASP 473 Ca 0.42 -0.06 0.17 0.00 0.42 0.00 0.00 57.03 57.97 3hm1 h ASP 473 Cb 0.44 0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.51 3hm1 h ASP 473 CO -0.18 -0.26 0.09 -0.74 -2.88 0.00 0.00 179.24 175.27 3hm1 h HIS 474 N -0.87 0.10 -0.39 0.28 2.76 -1.64 0.70 115.15 116.09 3hm1 h HIS 474 Ca -0.07 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3hm1 h HIS 474 Cb 0.59 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 3hm1 h HIS 474 CO -0.00 -0.17 0.25 0.82 -1.30 0.00 0.00 177.93 177.53 3hm1 h ILE 475 N 0.17 1.11 -0.65 6.26 2.04 -0.72 -1.11 117.51 124.60 3hm1 h ILE 475 Ca 0.41 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 66.02 3hm1 h ILE 475 Cb 0.73 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3hm1 h ILE 475 CO -0.59 0.10 0.21 0.45 0.00 0.00 0.00 178.15 178.33 3hm1 h HIS 476 N 0.53 1.02 -0.60 1.37 3.86 0.85 0.04 115.15 122.20 3hm1 h HIS 476 Ca 0.14 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 3hm1 h HIS 476 Cb -0.05 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.07 3hm1 h HIS 476 CO -0.05 0.81 0.33 0.00 0.86 0.00 0.00 177.93 179.88 3hm1 h ARG 477 N 0.96 0.61 0.00 2.45 3.08 0.96 0.74 114.38 123.18 3hm1 h ARG 477 Ca 0.21 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3hm1 h ARG 477 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hm1 h ARG 477 CO -0.01 0.40 -0.33 -0.24 -1.07 0.00 0.00 179.97 178.72 3hm1 h VAL 478 N 0.63 0.62 -0.24 2.04 3.04 -0.86 -2.74 116.25 118.74 3hm1 h VAL 478 Ca 0.26 -1.66 -0.12 0.00 -1.01 0.00 0.00 66.70 64.17 3hm1 h VAL 478 Cb 0.14 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 3hm1 h VAL 478 CO -0.16 0.32 -0.37 -0.07 -1.01 0.00 0.00 177.57 176.28 3hm1 h LEU 479 N 0.00 0.55 -0.85 3.16 3.38 -0.34 -2.49 115.31 118.72 3hm1 h LEU 479 Ca -0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3hm1 h LEU 479 Cb 1.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hm1 h LEU 479 CO 0.04 0.87 0.09 0.44 0.09 0.00 0.00 178.44 179.97 3hm1 h ASP 480 N 0.44 0.90 -0.45 -0.43 3.45 -0.71 -2.38 116.42 117.25 3hm1 h ASP 480 Ca 0.04 -0.20 0.02 0.00 0.43 0.00 0.00 57.03 57.33 3hm1 h ASP 480 Cb 0.85 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.35 3hm1 h ASP 480 CO 0.07 0.91 0.25 0.11 -1.57 0.00 0.00 179.24 179.01 3hm1 h LYS 481 N 0.90 0.49 -0.13 3.56 1.79 -1.17 0.57 116.57 122.57 3hm1 h LYS 481 Ca 0.18 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.54 3hm1 h LYS 481 Cb 0.40 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3hm1 h LYS 481 CO 0.01 0.33 -0.27 0.82 -1.08 0.00 0.00 179.45 179.26 3hm1 h ILE 482 N 0.51 1.24 0.16 1.86 2.04 -1.40 0.14 117.51 122.07 3hm1 h ILE 482 Ca 0.18 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3hm1 h ILE 482 Cb 0.04 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3hm1 h ILE 482 CO -0.10 0.35 -0.08 0.74 0.00 0.00 0.00 178.15 179.07 3hm1 h THR 483 N 0.22 0.93 -0.84 -0.27 2.02 -0.86 0.85 112.91 114.96 3hm1 h THR 483 Ca 0.03 -0.41 0.19 0.00 0.77 0.00 0.00 66.41 66.99 3hm1 h THR 483 Cb 0.59 1.18 -0.12 0.00 -1.74 0.00 0.00 68.15 68.07 3hm1 h THR 483 CO 0.04 0.10 0.32 0.44 0.37 0.00 0.00 175.52 176.79 3hm1 h ASP 484 N -0.42 0.24 -0.29 4.18 3.32 -0.55 -1.39 116.42 121.50 3hm1 h ASP 484 Ca -0.02 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3hm1 h ASP 484 Cb 0.33 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3hm1 h ASP 484 CO 0.04 0.01 0.11 0.74 -1.72 0.00 0.00 179.24 178.41 3hm1 h THR 485 N 0.38 1.19 -0.34 0.35 2.02 -0.24 -0.54 112.91 115.73 3hm1 h THR 485 Ca 0.50 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 67.15 3hm1 h THR 485 Cb 0.89 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3hm1 h THR 485 CO -0.51 0.20 0.01 -0.07 0.37 0.00 0.00 175.52 175.52 3hm1 h LEU 486 N 0.32 -0.12 -0.33 2.58 3.38 -0.05 -0.91 115.31 120.18 3hm1 h LEU 486 Ca 0.10 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3hm1 h LEU 486 Cb 0.21 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3hm1 h LEU 486 CO -0.01 -0.02 -0.04 0.40 0.09 0.00 0.00 178.44 178.86 3hm1 h ILE 487 N 0.10 1.27 -0.65 1.22 5.03 -1.17 -2.37 117.51 120.94 3hm1 h ILE 487 Ca 0.16 -1.05 0.13 0.00 -0.12 0.00 0.00 64.86 63.98 3hm1 h ILE 487 Cb 0.22 1.29 -0.12 0.00 -3.03 0.00 0.00 36.82 35.17 3hm1 h ILE 487 CO -0.27 0.34 -0.17 -0.74 -0.68 0.00 0.00 178.15 176.64 3hm1 h HIS 488 N 0.40 -0.36 0.00 1.37 -0.00 -0.80 0.31 115.15 116.08 3hm1 h HIS 488 Ca 0.09 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3hm1 h HIS 488 Cb 0.52 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 3hm1 h HIS 488 CO 0.04 -0.28 -0.03 -0.07 -0.00 0.00 0.00 177.93 177.59 3hm1 h LEU 489 N -0.00 0.00 0.16 0.26 3.38 -0.90 -0.56 115.31 117.65 3hm1 h LEU 489 Ca 0.31 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.95 3hm1 h LEU 489 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hm1 h LEU 489 CO -0.67 0.03 -1.61 0.24 0.09 0.00 0.00 178.44 176.52 3hm1 h MET 490 N 0.00 0.35 -0.09 1.13 2.86 -0.19 -2.88 114.93 116.11 3hm1 h MET 490 Ca -0.00 -0.59 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3hm1 h MET 490 Cb 0.06 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3hm1 h MET 490 CO 0.00 1.24 0.04 0.00 1.06 0.00 0.00 176.91 179.26 3hm1 h ALA 491 N 0.30 0.12 0.00 6.32 0.00 -0.26 -2.51 119.26 123.23 3hm1 h ALA 491 Ca -0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hm1 h ALA 491 Cb 2.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 3hm1 h ALA 491 CO 0.18 -0.30 -0.02 1.57 0.00 0.00 0.00 179.25 180.68 3hm1 h LYS 492 N 0.01 0.00 -0.00 0.00 5.09 -1.21 -0.30 116.57 120.16 3hm1 h LYS 492 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 3hm1 h LYS 492 Cb 0.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.48 3hm1 h LYS 492 CO -0.00 0.02 -0.05 0.00 -2.09 0.00 0.00 179.45 177.33 3hm1 n ALA 493 N -2.37 2.61 0.00 0.07 0.00 -0.98 -4.92 120.51 114.92 3hm1 n ALA 493 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hm1 n ALA 493 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3hm1 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm1 n GLY 494 N 1.27 1.02 3.78 0.00 0.00 -0.12 -5.07 105.19 106.07 3hm1 n GLY 494 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hm1 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hm1 s LEU 495 N 0.00 4.55 1.11 0.99 1.02 -0.99 -5.04 118.68 120.31 3hm1 s LEU 495 Ca 0.00 1.46 -0.12 0.00 0.02 0.00 0.00 54.13 55.49 3hm1 s LEU 495 Cb 0.00 -3.13 0.25 0.00 0.02 0.00 0.00 46.19 43.34 3hm1 s LEU 495 CO 0.00 0.21 1.06 0.42 0.02 0.00 0.00 176.35 178.05 3hm1 s THR 496 N -0.98 2.03 0.18 5.49 -4.23 -1.26 -4.67 115.64 112.20 3hm1 s THR 496 Ca 0.33 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.72 3hm1 s THR 496 Cb -0.21 -2.05 0.07 0.00 1.34 0.00 0.00 72.50 71.65 3hm1 s THR 496 CO 0.23 -0.01 1.75 -0.07 -0.54 0.00 0.00 174.62 175.97 3hm1 h LEU 497 N -2.47 0.15 -0.75 4.79 3.38 -2.00 -1.16 115.31 117.27 3hm1 h LEU 497 Ca -0.57 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.37 3hm1 h LEU 497 Cb 1.32 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3hm1 h LEU 497 CO 0.48 0.12 -0.39 0.06 0.09 0.00 0.00 178.44 178.80 3hm1 h GLN 498 N 0.32 0.00 -0.04 1.13 3.07 -1.99 -1.04 115.11 116.56 3hm1 h GLN 498 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.83 3hm1 h GLN 498 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 3hm1 h GLN 498 CO -0.23 0.39 -0.55 1.96 0.09 0.00 0.00 178.83 180.49 3hm1 h GLN 499 N 0.00 0.12 0.51 0.06 4.20 -1.78 -1.78 115.11 116.43 3hm1 h GLN 499 Ca -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3hm1 h GLN 499 Cb 0.99 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3hm1 h GLN 499 CO 0.05 0.63 -0.24 1.96 -0.67 0.00 0.00 178.83 180.56 3hm1 h GLN 500 N 0.09 -0.66 0.00 1.46 4.20 0.00 -1.16 115.11 119.05 3hm1 h GLN 500 Ca -0.00 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3hm1 h GLN 500 Cb 0.99 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3hm1 h GLN 500 CO 0.08 -0.36 -0.23 0.45 -0.67 0.00 0.00 178.83 178.10 3hm1 h HIS 501 N -0.90 0.00 0.08 2.96 3.86 -1.30 -0.73 115.15 119.12 3hm1 h HIS 501 Ca -0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3hm1 h HIS 501 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3hm1 h HIS 501 CO -0.00 0.23 -0.04 1.96 0.86 0.00 0.00 177.93 180.94 3hm1 h GLN 502 N 0.00 -0.10 -0.05 2.45 4.20 -1.33 -2.62 115.11 117.67 3hm1 h GLN 502 Ca -0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3hm1 h GLN 502 Cb 0.49 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3hm1 h GLN 502 CO 0.03 0.36 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.41 3hm1 h ARG 503 N -0.62 -0.07 -0.72 1.46 2.43 -0.98 0.18 114.38 116.06 3hm1 h ARG 503 Ca -0.01 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.31 3hm1 h ARG 503 Cb 0.51 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 29.94 3hm1 h ARG 503 CO 0.02 -0.04 -0.15 1.25 -1.51 0.00 0.00 179.97 179.54 3hm1 h LEU 504 N -0.07 -0.61 -0.44 3.80 5.85 -1.23 -0.20 115.31 122.41 3hm1 h LEU 504 Ca 0.04 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3hm1 h LEU 504 Cb 0.12 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hm1 h LEU 504 CO -0.09 -0.23 0.16 0.00 -0.34 0.00 0.00 178.44 177.94 3hm1 h ALA 505 N 1.71 0.58 -0.67 1.25 0.00 -0.98 -1.90 119.26 119.26 3hm1 h ALA 505 Ca 0.36 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hm1 h ALA 505 Cb 0.56 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3hm1 h ALA 505 CO -0.72 0.21 0.44 1.96 0.00 0.00 0.00 179.25 181.14 3hm1 h GLN 506 N 0.58 0.71 -0.10 0.00 4.20 0.50 -1.20 115.11 119.80 3hm1 h GLN 506 Ca 0.15 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.64 3hm1 h GLN 506 Cb 0.23 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hm1 h GLN 506 CO -0.01 0.47 -0.60 -0.07 -0.67 0.00 0.00 178.83 177.95 3hm1 h LEU 507 N 0.73 0.70 -1.33 1.46 3.38 -0.79 -3.22 115.31 116.23 3hm1 h LEU 507 Ca 0.28 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3hm1 h LEU 507 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hm1 h LEU 507 CO -0.08 1.25 -0.27 -0.07 0.09 0.00 0.00 178.44 179.35 3hm1 h LEU 508 N 0.20 0.00 -0.49 1.67 4.07 -0.81 -2.18 115.31 117.76 3hm1 h LEU 508 Ca -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3hm1 h LEU 508 Cb 1.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 3hm1 h LEU 508 CO 0.12 0.27 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.57 3hm1 h LEU 509 N 0.00 0.00 -0.82 1.67 3.38 -1.28 -2.80 115.31 115.46 3hm1 h LEU 509 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hm1 h LEU 509 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hm1 h LEU 509 CO 0.04 0.11 -0.02 0.40 0.09 0.00 0.00 178.44 179.06 3hm1 h ILE 510 N 0.00 0.04 0.00 1.22 2.04 -1.40 -2.94 117.51 116.47 3hm1 h ILE 510 Ca -0.00 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 3hm1 h ILE 510 Cb 0.91 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3hm1 h ILE 510 CO 0.01 0.02 -0.33 -0.07 0.00 0.00 0.00 178.15 177.78 3hm1 h LEU 511 N 0.00 0.00 -0.49 1.44 3.38 -1.51 -1.09 115.31 117.03 3hm1 h LEU 511 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3hm1 h LEU 511 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hm1 h LEU 511 CO 0.00 0.33 -0.15 -1.28 0.09 0.00 0.00 178.44 177.43 3hm1 h SER 512 N 0.00 0.99 -0.30 -0.43 0.87 -1.64 -0.24 113.55 112.80 3hm1 h SER 512 Ca -0.00 -0.37 -0.12 0.00 -1.23 0.00 0.00 61.79 60.06 3hm1 h SER 512 Cb 0.66 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3hm1 h SER 512 CO 0.04 1.14 -0.26 -0.74 -0.53 0.00 0.00 176.83 176.48 3hm1 h HIS 513 N 0.84 0.91 -0.50 2.24 -0.00 -1.53 -0.57 115.15 116.54 3hm1 h HIS 513 Ca 0.12 -0.22 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 3hm1 h HIS 513 Cb 0.72 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 3hm1 h HIS 513 CO 0.05 0.97 0.07 0.82 -0.00 0.00 0.00 177.93 179.84 3hm1 h ILE 514 N 0.68 1.23 -0.48 6.26 1.08 -1.07 0.59 117.51 125.80 3hm1 h ILE 514 Ca 0.09 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.63 3hm1 h ILE 514 Cb 0.79 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3hm1 h ILE 514 CO 0.07 0.32 0.16 -0.09 -0.69 0.00 0.00 178.15 177.92 3hm1 h ARG 515 N 0.76 0.74 0.15 2.37 9.65 -0.72 -1.06 114.38 126.26 3hm1 h ARG 515 Ca 0.16 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3hm1 h ARG 515 Cb 0.36 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3hm1 h ARG 515 CO 0.01 0.69 -0.16 1.25 2.80 0.00 0.00 179.97 184.57 3hm1 h HIS 516 N 0.64 -0.41 -0.92 2.20 2.76 -0.30 -0.56 115.15 118.57 3hm1 h HIS 516 Ca 0.16 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.42 3hm1 h HIS 516 Cb 0.25 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 3hm1 h HIS 516 CO 0.01 -0.24 0.57 0.52 -1.30 0.00 0.00 177.93 177.49 3hm1 h MET 517 N -0.34 0.93 -0.58 5.26 2.86 -0.82 -1.26 114.93 120.98 3hm1 h MET 517 Ca 0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3hm1 h MET 517 Cb 0.32 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3hm1 h MET 517 CO -0.04 0.61 0.27 1.03 1.06 0.00 0.00 176.91 179.84 3hm1 h SER 518 N 0.96 0.76 -0.79 1.22 0.87 -0.66 0.38 113.55 116.29 3hm1 h SER 518 Ca 0.43 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3hm1 h SER 518 Cb 0.34 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3hm1 h SER 518 CO -0.23 0.68 0.53 0.78 -0.53 0.00 0.00 176.83 178.06 3hm1 h ASN 519 N 0.78 0.90 0.01 6.23 2.35 -0.47 -1.36 115.58 124.03 3hm1 h ASN 519 Ca 0.20 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 3hm1 h ASN 519 Cb 0.13 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hm1 h ASN 519 CO -0.02 0.64 -0.82 0.11 -1.65 0.00 0.00 177.43 175.69 3hm1 h LYS 520 N 1.05 0.53 -0.20 0.81 1.79 -0.66 -3.15 116.57 116.74 3hm1 h LYS 520 Ca 0.30 -0.59 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3hm1 h LYS 520 Cb -0.09 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3hm1 h LYS 520 CO -0.07 1.21 0.11 0.78 -1.08 0.00 0.00 179.45 180.40 3hm1 h GLY 521 N 0.09 0.29 1.39 3.86 0.00 -0.07 -2.49 103.07 106.15 3hm1 h GLY 521 Ca -0.11 -0.12 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 3hm1 h GLY 521 CO 0.16 0.11 -0.67 1.98 0.00 0.00 0.00 176.54 178.12 3hm1 h MET 522 N 0.28 0.61 -0.34 4.80 1.85 -1.28 -1.12 114.93 119.73 3hm1 h MET 522 Ca 0.07 -0.45 -0.11 0.00 -0.61 0.00 0.00 59.70 58.60 3hm1 h MET 522 Cb 0.02 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 3hm1 h MET 522 CO -0.01 1.07 -0.25 0.93 -0.40 0.00 0.00 176.91 178.25 3hm1 h GLU 523 N 0.44 0.68 -0.24 0.39 4.39 -1.44 -1.56 114.58 117.23 3hm1 h GLU 523 Ca -0.02 -0.28 -0.18 0.00 0.34 0.00 0.00 59.36 59.22 3hm1 h GLU 523 Cb 1.26 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hm1 h GLU 523 CO 0.13 0.86 -0.58 1.25 -1.16 0.00 0.00 179.01 179.52 3hm1 h HIS 524 N 0.59 0.97 -0.73 4.33 2.76 -1.38 -2.20 115.15 119.49 3hm1 h HIS 524 Ca 0.08 -0.35 -0.02 0.00 -2.20 0.00 0.00 60.37 57.87 3hm1 h HIS 524 Cb 0.73 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 3hm1 h HIS 524 CO 0.03 1.16 0.36 1.25 -1.30 0.00 0.00 177.93 179.43 3hm1 h LEU 525 N 0.58 0.93 -1.06 0.26 5.85 -1.10 -1.81 115.31 118.97 3hm1 h LEU 525 Ca 0.01 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3hm1 h LEU 525 Cb 1.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3hm1 h LEU 525 CO 0.12 0.78 -0.45 0.22 -0.34 0.00 0.00 178.44 178.77 3hm1 h TYR 526 N 1.03 0.00 0.12 1.25 3.20 -1.14 -2.47 116.97 118.96 3hm1 h TYR 526 Ca 0.25 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.85 3hm1 h TYR 526 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3hm1 h TYR 526 CO 0.01 0.45 -1.23 0.66 -1.64 0.00 0.00 178.16 176.40 3hm1 h SER 527 N 0.00 0.42 0.46 -2.11 4.64 -0.86 -3.14 113.55 112.96 3hm1 h SER 527 Ca -0.00 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3hm1 h SER 527 Cb 0.84 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3hm1 h SER 527 CO 0.06 1.35 -0.20 -0.03 -0.87 0.00 0.00 176.83 177.13 3hm1 h MET 528 N 0.08 0.00 -0.84 4.77 1.85 -1.28 -2.47 114.93 117.04 3hm1 h MET 528 Ca -0.13 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3hm1 h MET 528 Cb 1.96 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.99 3hm1 h MET 528 CO 0.20 0.20 0.00 1.17 -0.40 0.00 0.00 176.91 178.09 3hm1 n LYS 529 N -3.74 0.84 0.00 0.39 0.00 -0.94 -2.31 118.16 112.40 3hm1 n LYS 529 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 3hm1 n LYS 529 Cb 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.92 3hm1 n LYS 529 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hm1 n LYS 531 N 0.08 0.00 -3.15 1.64 4.76 -0.93 -4.73 118.16 115.84 3hm1 n LYS 531 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3hm1 n LYS 531 Cb 0.21 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.42 3hm1 n LYS 531 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hm1 n ASN 532 N 0.00 -5.01 0.19 4.39 3.02 -0.98 -4.86 115.26 112.01 3hm1 n ASN 532 Ca 0.00 -0.31 0.13 0.00 -0.03 0.00 0.00 54.58 54.37 3hm1 n ASN 532 Cb 0.00 -4.08 0.39 0.00 -0.61 0.00 0.00 39.78 35.47 3hm1 n ASN 532 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3hm1 h VAL 533 N -1.16 0.00 -2.08 2.41 -1.51 -1.82 -3.45 116.25 108.65 3hm1 h VAL 533 Ca -0.48 -0.65 -0.05 0.00 -1.23 0.00 0.00 66.70 64.29 3hm1 h VAL 533 Cb 1.33 1.62 -0.21 0.00 -2.13 0.00 0.00 31.29 31.90 3hm1 h VAL 533 CO 0.55 0.00 0.10 0.54 -1.23 0.00 0.00 177.57 177.53 3hm1 s VAL 534 N -3.29 0.00 0.01 7.19 0.11 -1.26 -4.73 120.40 118.42 3hm1 s VAL 534 Ca 0.06 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 3hm1 s VAL 534 Cb 0.08 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 3hm1 s VAL 534 CO 0.59 -0.00 0.96 -2.84 -3.33 0.00 0.00 175.10 170.47 3hm1 s PRO 535 N 0.12 4.56 -0.01 1.54 0.02 -1.26 -4.84 135.00 135.14 3hm1 s PRO 535 Ca -0.02 1.39 -0.02 0.00 0.02 0.00 0.00 61.00 62.37 3hm1 s PRO 535 Cb -0.04 -3.45 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3hm1 s PRO 535 CO 0.02 -0.02 0.15 -0.51 -0.33 0.00 0.00 177.00 176.31 3hm1 s LEU 536 N 0.90 4.21 0.49 -5.54 1.43 -1.26 -4.91 118.68 114.00 3hm1 s LEU 536 Ca 0.51 0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 3hm1 s LEU 536 Cb -0.21 -2.50 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 3hm1 s LEU 536 CO 0.28 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.29 3hm1 s SER 537 N -1.88 6.10 0.56 2.29 1.04 -1.26 -4.88 113.70 115.68 3hm1 s SER 537 Ca 0.26 2.13 0.35 0.00 0.48 0.00 0.00 55.95 59.16 3hm1 s SER 537 Cb -0.12 -2.58 1.90 0.00 0.10 0.00 0.00 66.02 65.32 3hm1 s SER 537 CO 0.17 -0.95 2.07 -0.78 0.98 0.00 0.00 173.24 174.73 3hm1 h ASP 538 N 1.63 0.00 -0.15 7.02 -0.00 -1.99 0.80 116.42 123.74 3hm1 h ASP 538 Ca -0.50 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.39 3hm1 h ASP 538 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 3hm1 h ASP 538 CO 0.59 0.00 -0.47 0.25 -0.00 0.00 0.00 179.24 179.61 3hm1 h LEU 539 N 0.00 0.67 -1.18 2.28 6.46 -1.99 -2.10 115.31 119.44 3hm1 h LEU 539 Ca 0.00 -0.60 -0.08 0.00 -0.12 0.00 0.00 57.88 57.08 3hm1 h LEU 539 Cb 0.14 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3hm1 h LEU 539 CO 0.00 1.15 -0.35 0.25 -0.62 0.00 0.00 178.44 178.87 3hm1 h LEU 540 N 0.22 0.10 0.16 2.25 5.85 -1.22 -2.24 115.31 120.43 3hm1 h LEU 540 Ca -0.02 -0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.36 3hm1 h LEU 540 Cb 1.09 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.11 3hm1 h LEU 540 CO 0.10 0.45 -1.32 -0.07 -0.34 0.00 0.00 178.44 177.26 3hm1 h LEU 541 N 0.09 0.72 -0.12 2.25 3.38 -1.41 0.18 115.31 120.41 3hm1 h LEU 541 Ca 0.01 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.30 3hm1 h LEU 541 Cb 0.66 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3hm1 h LEU 541 CO 0.05 1.56 -0.23 -0.33 0.09 0.00 0.00 178.44 179.57 3hm1 h GLU 542 N 0.17 -0.29 -0.09 1.13 3.07 -1.28 0.86 114.58 118.16 3hm1 h GLU 542 Ca -0.19 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.73 3hm1 h GLU 542 Cb 2.01 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.93 3hm1 h GLU 542 CO 0.24 -0.19 -0.32 0.52 -1.40 0.00 0.00 179.01 177.85 3hm1 h MET 543 N -0.30 -0.41 0.33 2.33 2.86 -1.33 -2.82 114.93 115.60 3hm1 h MET 543 Ca 0.10 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hm1 h MET 543 Cb 0.44 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3hm1 h MET 543 CO -0.29 -0.27 -0.49 1.25 1.06 0.00 0.00 176.91 178.17 3hm1 h LEU 544 N -0.42 -1.39 0.00 1.22 5.85 -0.33 -2.97 115.31 117.27 3hm1 h LEU 544 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hm1 h LEU 544 Cb 0.55 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hm1 h LEU 544 CO -0.32 -0.59 0.00 0.47 -0.34 0.00 0.00 178.44 177.65 3hm1 n ASP 545 N -5.32 0.00 0.10 1.25 8.00 0.27 -0.48 116.55 120.37 3hm1 n ASP 545 Ca -0.10 0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.77 3hm1 n ASP 545 Cb 0.42 -0.30 0.44 0.00 -0.02 0.00 0.00 41.12 41.65 3hm1 n ASP 545 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hm1 n ALA 546 N -1.30 2.14 0.73 2.24 0.00 -1.08 -3.64 120.51 119.60 3hm1 n ALA 546 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3hm1 n ALA 546 Cb 0.04 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.20 3hm1 n ALA 546 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hm1 n HIS 547 N -2.19 0.29 -1.65 0.00 8.25 0.37 -5.14 115.22 115.15 3hm1 n HIS 547 Ca 0.05 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3hm1 n HIS 547 Cb 0.38 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3hm1 n HIS 547 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87