#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g44 h ALA 307 N 0.00 2.38 -0.09 -1.18 0.00 -1.98 -1.35 119.26 117.05 2g44 h ALA 307 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2g44 h ALA 307 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2g44 h ALA 307 CO 0.00 -0.96 -0.54 -0.07 0.00 0.00 0.00 179.25 177.68 2g44 h LEU 308 N 0.22 0.28 -3.35 0.00 4.07 -1.96 -3.12 115.31 111.45 2g44 h LEU 308 Ca 0.74 -0.15 -0.17 0.00 0.08 0.00 0.00 57.88 58.38 2g44 h LEU 308 Cb 2.05 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 43.61 2g44 h LEU 308 CO -0.45 0.77 0.22 -1.54 -1.08 0.00 0.00 178.44 176.36 2g44 n SER 309 N -3.92 4.45 -4.77 -0.43 3.41 -0.51 -4.91 113.62 106.94 2g44 n SER 309 Ca -0.02 -3.00 -0.38 0.00 -0.26 0.00 0.00 58.87 55.20 2g44 n SER 309 Cb 0.57 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2g44 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2g44 s LEU 310 N -2.49 4.39 0.81 1.04 1.43 -1.18 -5.07 118.68 117.61 2g44 s LEU 310 Ca 0.46 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 2g44 s LEU 310 Cb 0.37 -2.75 0.08 0.00 0.03 0.00 0.00 46.19 43.92 2g44 s LEU 310 CO 0.12 0.14 1.13 0.28 0.23 0.00 0.00 176.35 178.25 2g44 s THR 311 N -0.22 2.72 0.22 5.49 -1.32 -1.26 -4.79 115.64 116.48 2g44 s THR 311 Ca 0.27 0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.94 2g44 s THR 311 Cb -0.17 -2.59 0.18 0.00 -1.51 0.00 0.00 72.50 68.41 2g44 s THR 311 CO 0.14 -0.28 1.74 0.00 -2.21 0.00 0.00 174.62 174.01 2g44 h ALA 312 N -1.17 0.91 -0.44 11.08 0.00 -1.97 -0.57 119.26 127.11 2g44 h ALA 312 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2g44 h ALA 312 Cb 1.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2g44 h ALA 312 CO 0.48 -0.18 0.29 -0.44 0.00 0.00 0.00 179.25 179.39 2g44 h ASP 313 N 0.45 0.50 0.42 0.00 3.32 -1.97 -1.55 116.42 117.59 2g44 h ASP 313 Ca 0.35 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2g44 h ASP 313 Cb 0.47 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2g44 h ASP 313 CO -0.34 0.37 -0.15 1.56 -1.72 0.00 0.00 179.24 178.96 2g44 h GLN 314 N 0.59 0.00 0.17 3.56 4.20 -1.67 -2.09 115.11 119.86 2g44 h GLN 314 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2g44 h GLN 314 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2g44 h GLN 314 CO -0.03 0.15 -0.08 1.98 -0.67 0.00 0.00 178.83 180.18 2g44 h MET 315 N 0.00 -0.22 -0.74 1.46 4.05 -0.19 -2.03 114.93 117.26 2g44 h MET 315 Ca -0.00 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 2g44 h MET 315 Cb 0.41 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 2g44 h MET 315 CO 0.02 0.17 0.47 0.28 0.23 0.00 0.00 176.91 178.08 2g44 h VAL 316 N -0.68 1.10 -0.08 -5.77 2.07 -1.06 -2.07 116.25 109.76 2g44 h VAL 316 Ca -0.02 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2g44 h VAL 316 Cb 0.49 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2g44 h VAL 316 CO 0.04 0.17 0.02 0.28 0.02 0.00 0.00 177.57 178.09 2g44 h SER 317 N 0.91 0.13 -0.81 0.57 0.02 -1.46 -1.04 113.55 111.87 2g44 h SER 317 Ca 0.30 -0.25 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 2g44 h SER 317 Cb 0.02 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 2g44 h SER 317 CO -0.11 0.34 0.53 0.00 -1.14 0.00 0.00 176.83 176.45 2g44 h ALA 318 N 0.79 1.76 -0.15 3.77 0.00 -1.05 -1.39 119.26 122.98 2g44 h ALA 318 Ca 0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2g44 h ALA 318 Cb 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2g44 h ALA 318 CO 0.00 0.07 -0.79 -0.07 0.00 0.00 0.00 179.25 178.46 2g44 h LEU 319 N 0.74 0.95 -1.41 0.00 4.07 -1.23 -2.62 115.31 115.81 2g44 h LEU 319 Ca 0.38 -0.63 -0.06 0.00 0.08 0.00 0.00 57.88 57.64 2g44 h LEU 319 Cb 0.47 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2g44 h LEU 319 CO -0.15 1.44 -0.29 -0.07 -1.08 0.00 0.00 178.44 178.28 2g44 h LEU 320 N 0.54 0.00 0.00 1.67 3.38 -0.35 -2.42 115.31 118.12 2g44 h LEU 320 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2g44 h LEU 320 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2g44 h LEU 320 CO 0.16 0.29 -0.59 -0.78 0.09 0.00 0.00 178.44 177.61 2g44 h ASP 321 N 0.00 0.00 1.29 -0.43 3.58 -1.28 -3.15 116.42 116.42 2g44 h ASP 321 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g44 h ASP 321 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2g44 h ASP 321 CO 0.04 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 2g44 n ALA 322 N -2.14 2.27 -1.61 -0.78 0.00 -0.93 -4.92 120.51 112.40 2g44 n ALA 322 Ca 0.02 -0.05 -0.50 0.00 0.00 0.00 0.00 53.44 52.91 2g44 n ALA 322 Cb 0.54 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 2g44 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2g44 n GLU 323 N -2.01 1.40 -1.94 0.00 -0.58 -1.13 -4.59 120.64 111.80 2g44 n GLU 323 Ca 0.06 0.50 -0.33 0.00 -0.42 0.00 0.00 57.16 56.97 2g44 n GLU 323 Cb 0.39 -2.16 0.02 0.00 -0.57 0.00 0.00 31.44 29.13 2g44 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2g44 s PRO 324 N 0.45 3.11 0.84 3.49 0.04 -1.26 -5.02 135.00 136.65 2g44 s PRO 324 Ca 0.81 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2g44 s PRO 324 Cb -0.87 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 31.77 2g44 s PRO 324 CO 0.45 -0.99 1.11 -1.25 0.04 0.00 0.00 177.00 176.36 2g44 s PRO 325 N -4.05 1.73 -0.18 0.56 0.04 -1.26 -5.02 135.00 126.83 2g44 s PRO 325 Ca 0.65 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 2g44 s PRO 325 Cb -0.18 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2g44 s PRO 325 CO 0.38 -1.84 0.61 0.42 0.04 0.00 0.00 177.00 176.62 2g44 s ILE 326 N -3.19 5.05 0.46 0.56 1.01 -1.26 -5.06 121.20 118.77 2g44 s ILE 326 Ca 0.62 1.17 0.03 0.00 0.00 0.00 0.00 60.65 62.47 2g44 s ILE 326 Cb -0.15 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.40 2g44 s ILE 326 CO 0.54 0.15 0.66 -0.76 0.00 0.00 0.00 174.94 175.53 2g44 s LEU 327 N 1.66 3.59 0.17 2.97 1.02 -1.26 -5.00 118.68 121.82 2g44 s LEU 327 Ca 0.29 0.02 0.09 0.00 0.02 0.00 0.00 54.13 54.55 2g44 s LEU 327 Cb -0.16 -2.93 -0.04 0.00 0.02 0.00 0.00 46.19 43.08 2g44 s LEU 327 CO 0.11 -0.80 -0.12 -0.31 0.02 0.00 0.00 176.35 175.25 2g44 s TYR 328 N -2.53 2.60 0.46 0.29 1.51 -1.26 -4.20 117.35 114.22 2g44 s TYR 328 Ca 0.51 -0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 56.18 2g44 s TYR 328 Cb -0.10 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.38 2g44 s TYR 328 CO 0.36 0.49 0.92 0.45 -1.11 0.00 0.00 175.55 176.67 2g44 s SER 329 N -2.71 6.70 0.00 2.29 0.15 -1.26 -4.93 113.70 113.94 2g44 s SER 329 Ca 0.24 1.51 0.30 0.00 0.70 0.00 0.00 55.95 58.69 2g44 s SER 329 Cb -0.09 -2.48 1.45 0.00 -1.71 0.00 0.00 66.02 63.20 2g44 s SER 329 CO 0.14 -0.47 1.98 -1.84 1.20 0.00 0.00 173.24 174.25 2g44 n GLU 330 N -1.19 1.14 -1.67 5.44 0.28 -1.26 -4.93 120.64 118.46 2g44 n GLU 330 Ca 0.06 -0.38 -0.59 0.00 -0.16 0.00 0.00 57.16 56.09 2g44 n GLU 330 Cb 0.54 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.84 2g44 n GLU 330 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2g44 n TYR 331 N -0.60 1.72 -3.73 -1.84 9.36 -1.26 -4.95 117.16 115.86 2g44 n TYR 331 Ca 0.20 0.75 -0.38 0.00 3.32 0.00 0.00 57.90 61.79 2g44 n TYR 331 Cb 0.23 -2.34 -0.12 0.00 -0.63 0.00 0.00 39.34 36.48 2g44 n TYR 331 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2g44 s ASP 332 N 2.38 5.36 0.59 2.98 1.01 -1.26 -4.99 116.67 122.73 2g44 s ASP 332 Ca 0.96 -1.21 0.29 0.00 0.71 0.00 0.00 52.55 53.30 2g44 s ASP 332 Cb -1.16 -1.88 1.47 0.00 1.01 0.00 0.00 42.92 42.35 2g44 s ASP 332 CO 0.64 -0.36 1.88 1.55 0.21 0.00 0.00 175.17 179.10 2g44 h PRO 333 N 8.24 0.00 -0.29 8.23 0.13 -1.95 -0.26 132.00 146.09 2g44 h PRO 333 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2g44 h PRO 333 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2g44 h PRO 333 CO 0.62 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 2g44 n THR 334 N -3.73 0.38 -4.47 1.56 -2.24 -1.26 -4.82 114.28 99.71 2g44 n THR 334 Ca 0.09 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 2g44 n THR 334 Cb 0.70 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 2g44 n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2g44 s ARG 335 N -1.62 3.14 0.63 -0.78 0.52 -0.11 -5.12 118.95 115.61 2g44 s ARG 335 Ca 0.24 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 2g44 s ARG 335 Cb 0.13 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 2g44 s ARG 335 CO 0.17 0.53 1.09 -1.25 0.02 0.00 0.00 175.30 175.87 2g44 s PRO 336 N -0.43 3.02 0.33 3.54 0.04 -1.26 -4.94 135.00 135.29 2g44 s PRO 336 Ca 0.07 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 2g44 s PRO 336 Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2g44 s PRO 336 CO 0.02 -1.07 0.61 -0.06 0.04 0.00 0.00 177.00 176.54 2g44 s PHE 337 N -2.35 3.48 0.07 0.56 0.08 -1.26 -5.00 117.98 113.57 2g44 s PHE 337 Ca 0.66 0.71 -0.13 0.00 0.12 0.00 0.00 56.93 58.29 2g44 s PHE 337 Cb -0.19 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2g44 s PHE 337 CO 0.39 0.08 0.30 -1.12 -0.10 0.00 0.00 175.22 174.77 2g44 s SER 338 N -3.29 -0.09 0.46 1.36 0.01 -1.26 -4.97 113.70 105.92 2g44 s SER 338 Ca 0.45 -0.32 0.19 0.00 1.31 0.00 0.00 55.95 57.58 2g44 s SER 338 Cb -0.10 0.37 1.16 0.00 0.21 0.00 0.00 66.02 67.66 2g44 s SER 338 CO 0.32 -0.68 1.95 -0.08 0.41 0.00 0.00 173.24 175.15 2g44 h GLU 339 N 2.96 0.27 -0.01 12.44 4.81 -1.99 0.66 114.58 133.73 2g44 h GLU 339 Ca -0.33 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.79 2g44 h GLU 339 Cb 1.21 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2g44 h GLU 339 CO 0.48 0.18 -0.38 0.00 -0.73 0.00 0.00 179.01 178.56 2g44 h ALA 340 N 1.68 0.05 -0.38 2.92 0.00 -1.96 -2.64 119.26 118.93 2g44 h ALA 340 Ca 0.32 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2g44 h ALA 340 Cb 0.86 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2g44 h ALA 340 CO -0.08 0.19 -0.29 0.66 0.00 0.00 0.00 179.25 179.73 2g44 h SER 341 N -0.33 0.86 0.22 0.00 4.64 -1.68 0.16 113.55 117.41 2g44 h SER 341 Ca -0.05 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2g44 h SER 341 Cb 1.12 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2g44 h SER 341 CO 0.08 1.09 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.99 2g44 h MET 342 N 0.70 -0.28 -0.80 4.77 -1.53 -1.03 0.48 114.93 117.24 2g44 h MET 342 Ca 0.08 0.02 0.09 0.00 -3.44 0.00 0.00 59.70 56.45 2g44 h MET 342 Cb 0.84 0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.90 2g44 h MET 342 CO 0.07 0.02 0.52 0.52 0.14 0.00 0.00 176.91 178.19 2g44 h MET 343 N -0.59 0.74 -0.17 0.39 2.07 -1.43 -0.28 114.93 115.66 2g44 h MET 343 Ca -0.03 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 2g44 h MET 343 Cb 0.43 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 2g44 h MET 343 CO 0.05 0.49 0.08 0.78 1.07 0.00 0.00 176.91 179.38 2g44 h GLY 344 N 0.76 0.26 0.99 8.32 0.00 -0.56 -1.79 103.07 111.05 2g44 h GLY 344 Ca 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2g44 h GLY 344 CO -0.14 0.12 0.28 1.41 0.00 0.00 0.00 176.54 178.21 2g44 h LEU 345 N 0.14 0.76 0.00 3.11 3.38 0.44 -1.03 115.31 122.12 2g44 h LEU 345 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2g44 h LEU 345 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2g44 h LEU 345 CO -0.01 0.68 -0.67 0.00 0.09 0.00 0.00 178.44 178.53 2g44 n LEU 346 N -4.53 0.65 0.03 1.67 -0.00 -0.25 -1.45 117.00 113.12 2g44 n LEU 346 Ca 0.03 0.16 -0.09 0.00 -0.00 0.00 0.00 56.01 56.11 2g44 n LEU 346 Cb 0.12 -0.18 -0.13 0.00 -0.00 0.00 0.00 43.42 43.23 2g44 n LEU 346 CO 0.38 -0.01 -0.19 0.71 -0.00 0.00 0.00 177.39 178.28 2g44 h THR 347 N 0.00 1.30 -0.65 1.47 1.35 -1.33 -1.34 112.91 113.71 2g44 h THR 347 Ca 0.00 -3.05 0.01 0.00 -0.55 0.00 0.00 66.41 62.82 2g44 h THR 347 Cb 0.71 2.68 -0.04 0.00 -1.73 0.00 0.00 68.15 69.77 2g44 h THR 347 CO 0.00 0.77 0.42 -1.13 -0.25 0.00 0.00 175.52 175.33 2g44 h ASN 348 N 0.01 0.72 -0.21 5.36 -1.24 -1.17 -0.67 115.58 118.38 2g44 h ASN 348 Ca -0.15 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 2g44 h ASN 348 Cb 1.90 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.78 2g44 h ASN 348 CO 0.12 0.51 -0.11 0.25 -1.29 0.00 0.00 177.43 176.91 2g44 h LEU 349 N 0.85 0.47 -1.28 0.34 5.85 -1.28 -2.68 115.31 117.58 2g44 h LEU 349 Ca 0.25 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2g44 h LEU 349 Cb -0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2g44 h LEU 349 CO -0.07 0.78 0.39 0.00 -0.34 0.00 0.00 178.44 179.19 2g44 h ALA 350 N 0.70 1.46 -0.40 1.25 0.00 -1.12 -1.40 119.26 119.75 2g44 h ALA 350 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2g44 h ALA 350 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2g44 h ALA 350 CO 0.03 0.47 -0.36 0.22 0.00 0.00 0.00 179.25 179.61 2g44 h ASP 351 N 0.89 1.00 0.37 0.00 3.58 -1.03 -0.20 116.42 121.03 2g44 h ASP 351 Ca 0.23 -0.45 -0.15 0.00 0.42 0.00 0.00 57.03 57.09 2g44 h ASP 351 Cb -0.03 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 2g44 h ASP 351 CO -0.04 1.25 -0.61 0.03 -2.88 0.00 0.00 179.24 176.99 2g44 h ARG 352 N 0.78 0.23 -0.14 0.28 3.08 -1.27 -3.13 114.38 114.21 2g44 h ARG 352 Ca 0.07 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2g44 h ARG 352 Cb 0.95 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2g44 h ARG 352 CO 0.09 0.77 -0.34 1.49 -1.07 0.00 0.00 179.97 180.91 2g44 h GLU 353 N 0.17 0.28 -0.84 0.04 4.81 -0.95 -2.97 114.58 115.13 2g44 h GLU 353 Ca -0.01 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2g44 h GLU 353 Cb 1.11 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 2g44 h GLU 353 CO 0.09 0.59 0.51 -0.07 -0.73 0.00 0.00 179.01 179.41 2g44 h LEU 354 N 0.25 0.79 -1.14 1.64 3.38 -0.97 -0.95 115.31 118.30 2g44 h LEU 354 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2g44 h LEU 354 Cb 0.72 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2g44 h LEU 354 CO 0.05 0.50 0.50 0.58 0.09 0.00 0.00 178.44 180.16 2g44 h VAL 355 N 0.92 1.22 0.00 1.22 2.07 -1.59 -1.97 116.25 118.11 2g44 h VAL 355 Ca 0.37 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 2g44 h VAL 355 Cb 0.21 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2g44 h VAL 355 CO -0.19 0.22 -0.67 0.45 0.02 0.00 0.00 177.57 177.41 2g44 h HIS 356 N 1.10 0.00 -0.33 1.57 3.86 -1.40 -3.20 115.15 116.76 2g44 h HIS 356 Ca 0.29 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2g44 h HIS 356 Cb -0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2g44 h HIS 356 CO 0.00 0.67 -0.07 1.98 0.86 0.00 0.00 177.93 181.37 2g44 h MET 357 N 0.00 0.63 -0.39 2.45 -1.53 -0.50 -1.58 114.93 114.01 2g44 h MET 357 Ca -0.01 -0.24 0.08 0.00 -3.44 0.00 0.00 59.70 56.10 2g44 h MET 357 Cb 1.41 -0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 32.34 2g44 h MET 357 CO 0.09 0.80 -0.19 0.82 0.14 0.00 0.00 176.91 178.56 2g44 h ILE 358 N 0.41 0.43 0.09 1.77 1.08 -1.42 0.27 117.51 120.15 2g44 h ILE 358 Ca 0.08 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2g44 h ILE 358 Cb 0.56 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 2g44 h ILE 358 CO 0.03 0.00 -0.31 0.78 -0.69 0.00 0.00 178.15 177.96 2g44 h ASN 359 N -0.12 -0.90 -0.91 1.72 4.21 -1.52 -1.56 115.58 116.50 2g44 h ASN 359 Ca 0.19 0.11 0.10 0.00 1.21 0.00 0.00 56.30 57.91 2g44 h ASN 359 Cb 0.42 0.35 -0.07 0.00 -1.12 0.00 0.00 38.32 37.90 2g44 h ASN 359 CO -0.47 -0.39 0.59 -0.25 -1.29 0.00 0.00 177.43 175.62 2g44 h TRP 360 N -0.52 0.99 -0.22 1.19 7.01 -0.77 -1.77 115.95 121.86 2g44 h TRP 360 Ca 0.04 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.11 2g44 h TRP 360 Cb 0.56 -0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 2g44 h TRP 360 CO -0.29 0.45 -0.08 0.00 -2.79 0.00 0.00 178.44 175.73 2g44 h ALA 361 N 1.55 0.11 0.00 2.65 0.00 0.52 -0.44 119.26 123.65 2g44 h ALA 361 Ca 0.42 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2g44 h ALA 361 Cb 0.40 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2g44 h ALA 361 CO -0.19 -0.50 0.00 0.36 0.00 0.00 0.00 179.25 178.93 2g44 n LYS 362 N -5.24 0.88 -0.08 0.00 2.85 -0.69 -1.24 118.16 114.65 2g44 n LYS 362 Ca -0.02 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.33 2g44 n LYS 362 Cb 0.16 -1.31 0.12 0.00 -0.65 0.00 0.00 35.03 33.35 2g44 n LYS 362 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2g44 n ARG 363 N -0.81 1.81 -2.93 -1.58 1.74 -0.22 -4.54 116.66 110.14 2g44 n ARG 363 Ca 0.13 -1.77 -0.41 0.00 -0.77 0.00 0.00 57.85 55.02 2g44 n ARG 363 Cb 0.06 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 2g44 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2g44 s VAL 364 N -1.28 4.88 0.04 1.55 1.01 -0.37 -4.81 120.40 121.41 2g44 s VAL 364 Ca 0.25 1.51 -0.36 0.00 0.00 0.00 0.00 61.98 63.38 2g44 s VAL 364 Cb 0.15 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2g44 s VAL 364 CO 0.22 -0.02 1.55 -2.65 0.00 0.00 0.00 175.10 174.21 2g44 n PRO 365 N 5.66 1.65 -0.24 2.72 -0.02 -1.26 -1.00 135.00 142.51 2g44 n PRO 365 Ca 0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2g44 n PRO 365 Cb 0.48 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2g44 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g44 n GLY 366 N 3.33 1.20 0.09 -1.23 0.00 -1.26 -4.88 105.19 102.43 2g44 n GLY 366 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2g44 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2g44 h PHE 367 N 0.00 0.22 0.00 1.61 3.04 -1.35 -3.17 116.94 117.29 2g44 h PHE 367 Ca 0.00 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2g44 h PHE 367 Cb 0.00 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2g44 h PHE 367 CO 0.00 0.99 0.00 -0.39 -2.02 0.00 0.00 178.31 176.89 2g44 h VAL 368 N -0.60 0.00 0.00 1.41 -1.51 -1.80 -1.66 116.25 112.09 2g44 h VAL 368 Ca -0.04 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2g44 h VAL 368 Cb 1.07 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2g44 h VAL 368 CO 0.05 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.86 2g44 n ASP 369 N -2.90 0.67 -4.86 4.19 8.00 -1.20 -4.79 116.55 115.67 2g44 n ASP 369 Ca -0.02 0.64 -0.32 0.00 0.71 0.00 0.00 54.79 55.79 2g44 n ASP 369 Cb 0.07 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.33 2g44 n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2g44 s LEU 370 N -4.42 4.03 0.57 0.64 1.02 -0.63 -5.04 118.68 114.85 2g44 s LEU 370 Ca 0.06 1.22 -0.18 0.00 0.02 0.00 0.00 54.13 55.24 2g44 s LEU 370 Cb 0.10 -4.03 -0.07 0.00 0.02 0.00 0.00 46.19 42.21 2g44 s LEU 370 CO 0.44 -0.23 0.72 0.41 0.02 0.00 0.00 176.35 177.70 2g44 n THR 371 N -0.54 2.84 -0.09 5.49 -1.04 -1.26 -4.71 114.28 114.98 2g44 n THR 371 Ca 0.03 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 2g44 n THR 371 Cb 0.53 -0.88 0.35 0.00 -1.82 0.00 0.00 70.33 68.52 2g44 n THR 371 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2g44 h LEU 372 N 0.39 0.63 -0.55 -4.42 6.46 -1.96 -0.90 115.31 114.95 2g44 h LEU 372 Ca -0.47 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.17 2g44 h LEU 372 Cb 1.38 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 2g44 h LEU 372 CO 0.49 0.45 -0.08 -0.74 -0.62 0.00 0.00 178.44 177.95 2g44 h HIS 373 N 0.74 1.14 -0.08 1.25 2.76 -1.99 -0.06 115.15 118.91 2g44 h HIS 373 Ca 0.20 -0.23 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2g44 h HIS 373 Cb -0.09 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.54 2g44 h HIS 373 CO -0.00 1.05 -0.19 -0.44 -1.30 0.00 0.00 177.93 177.04 2g44 h ASP 374 N 0.91 -0.58 -0.57 3.26 3.32 -1.72 0.40 116.42 121.44 2g44 h ASP 374 Ca 0.15 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.40 2g44 h ASP 374 Cb 0.64 0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 2g44 h ASP 374 CO 0.04 -0.25 0.04 1.56 -1.72 0.00 0.00 179.24 178.92 2g44 h GLN 375 N -0.27 0.15 0.07 3.56 4.20 -0.90 0.14 115.11 122.07 2g44 h GLN 375 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2g44 h GLN 375 Cb 0.39 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2g44 h GLN 375 CO -0.24 0.10 -0.04 0.28 -0.67 0.00 0.00 178.83 178.27 2g44 h VAL 376 N 0.16 0.93 -0.12 -0.54 2.07 -0.36 -2.29 116.25 116.10 2g44 h VAL 376 Ca 0.29 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 2g44 h VAL 376 Cb 0.45 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2g44 h VAL 376 CO -0.45 0.00 -0.01 -0.74 0.02 0.00 0.00 177.57 176.39 2g44 h HIS 377 N -0.10 -0.02 -0.57 1.57 -0.00 -0.33 0.28 115.15 115.98 2g44 h HIS 377 Ca -0.01 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 2g44 h HIS 377 Cb 0.08 0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 27.43 2g44 h HIS 377 CO -0.08 -0.02 0.09 -0.07 -0.00 0.00 0.00 177.93 177.84 2g44 h LEU 378 N 0.03 -0.07 -0.26 0.26 4.07 -0.68 -2.85 115.31 115.80 2g44 h LEU 378 Ca 0.05 0.12 -0.21 0.00 0.08 0.00 0.00 57.88 57.92 2g44 h LEU 378 Cb 0.07 0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2g44 h LEU 378 CO -0.10 -0.02 -0.73 -0.07 -1.08 0.00 0.00 178.44 176.44 2g44 h LEU 379 N 0.21 0.81 -1.02 1.67 3.38 -0.98 -2.10 115.31 117.27 2g44 h LEU 379 Ca 0.30 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2g44 h LEU 379 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2g44 h LEU 379 CO -0.41 1.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.79 2g44 n GLU 380 N -3.92 0.00 0.00 1.13 1.02 0.05 -1.17 120.64 117.76 2g44 n GLU 380 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2g44 n GLU 380 Cb 0.72 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 2g44 n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g44 n ALA 382 N 0.50 0.00 -0.28 0.62 0.00 -0.79 -4.87 120.51 115.69 2g44 n ALA 382 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2g44 n ALA 382 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2g44 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2g44 h TRP 383 N 0.00 0.54 0.03 0.00 5.08 -1.39 -0.03 115.95 120.17 2g44 h TRP 383 Ca 0.00 0.04 -0.22 0.00 1.08 0.00 0.00 58.89 59.79 2g44 h TRP 383 Cb 0.00 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.04 2g44 h TRP 383 CO 0.00 -0.02 -0.97 1.25 -1.28 0.00 0.00 178.44 177.42 2g44 h LEU 384 N 0.39 0.29 -0.47 0.11 5.85 -1.89 -1.97 115.31 117.62 2g44 h LEU 384 Ca 0.49 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2g44 h LEU 384 Cb 0.86 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2g44 h LEU 384 CO -0.49 1.10 0.29 -0.33 -0.34 0.00 0.00 178.44 178.67 2g44 h GLU 385 N 0.10 0.64 -0.14 1.25 5.08 -1.53 0.63 114.58 120.61 2g44 h GLU 385 Ca -0.06 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2g44 h GLU 385 Cb 1.63 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2g44 h GLU 385 CO 0.15 0.46 -0.23 0.82 -1.00 0.00 0.00 179.01 179.21 2g44 h ILE 386 N 0.63 1.23 -0.10 3.13 2.04 -0.98 0.13 117.51 123.58 2g44 h ILE 386 Ca 0.17 -1.07 -0.16 0.00 1.00 0.00 0.00 64.86 64.80 2g44 h ILE 386 Cb -0.02 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2g44 h ILE 386 CO -0.03 0.33 -0.62 -0.07 0.00 0.00 0.00 178.15 177.75 2g44 h LEU 387 N 0.23 0.42 -0.20 1.44 3.38 -0.92 -2.95 115.31 116.71 2g44 h LEU 387 Ca 0.04 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2g44 h LEU 387 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2g44 h LEU 387 CO 0.04 0.94 -0.28 0.24 0.09 0.00 0.00 178.44 179.47 2g44 h MET 388 N 0.27 0.54 -0.23 1.13 2.86 0.26 -0.48 114.93 119.28 2g44 h MET 388 Ca -0.01 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2g44 h MET 388 Cb 1.15 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2g44 h MET 388 CO 0.10 0.91 -0.16 0.97 1.06 0.00 0.00 176.91 179.79 2g44 h ILE 389 N 0.21 1.23 0.04 -1.22 2.10 -0.90 0.13 117.51 119.09 2g44 h ILE 389 Ca 0.02 -1.02 -0.00 0.00 1.08 0.00 0.00 64.86 64.94 2g44 h ILE 389 Cb 0.85 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 2g44 h ILE 389 CO 0.06 0.33 -0.02 1.23 -1.08 0.00 0.00 178.15 178.67 2g44 h GLY 390 N 0.91 -0.05 0.34 8.18 0.00 -1.35 -1.13 103.07 109.98 2g44 h GLY 390 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2g44 h GLY 390 CO 0.03 -0.02 -0.52 -2.00 0.00 0.00 0.00 176.54 174.03 2g44 h LEU 391 N -0.07 -1.49 -0.82 3.11 6.46 -0.42 0.71 115.31 122.79 2g44 h LEU 391 Ca -0.01 0.14 0.16 0.00 -0.12 0.00 0.00 57.88 58.05 2g44 h LEU 391 Cb 0.05 0.52 -0.10 0.00 -0.73 0.00 0.00 40.66 40.40 2g44 h LEU 391 CO 0.01 -0.63 0.38 0.58 -0.62 0.00 0.00 178.44 178.16 2g44 h VAL 392 N -0.90 0.66 -0.40 1.05 2.07 -0.77 0.51 116.25 118.46 2g44 h VAL 392 Ca -0.04 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2g44 h VAL 392 Cb 0.83 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2g44 h VAL 392 CO -0.16 0.09 -0.05 -0.25 0.02 0.00 0.00 177.57 177.22 2g44 h TRP 393 N 0.51 0.82 -0.91 1.57 2.91 -0.86 -3.07 115.95 116.92 2g44 h TRP 393 Ca 0.46 -0.16 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 2g44 h TRP 393 Cb 0.71 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 2g44 h TRP 393 CO -0.13 0.84 0.51 -0.09 -1.03 0.00 0.00 178.44 178.55 2g44 h ARG 394 N 0.55 1.26 -0.01 2.65 2.43 0.30 -2.70 114.38 118.87 2g44 h ARG 394 Ca 0.11 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2g44 h ARG 394 Cb 0.55 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2g44 h ARG 394 CO 0.03 0.91 0.00 -1.13 -1.51 0.00 0.00 179.97 178.27 2g44 n SER 395 N -4.34 0.12 0.00 -3.80 3.41 0.06 -4.35 113.62 104.72 2g44 n SER 395 Ca 0.10 -1.36 -0.11 0.00 -0.26 0.00 0.00 58.87 57.23 2g44 n SER 395 Cb 0.09 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2g44 n SER 395 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2g44 h MET 396 N 0.16 -0.43 -0.65 4.33 2.86 -1.39 -1.17 114.93 118.65 2g44 h MET 396 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2g44 h MET 396 Cb 0.03 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2g44 h MET 396 CO 0.00 -0.29 0.00 0.39 1.06 0.00 0.00 176.91 178.07 2g44 n GLU 397 N -5.42 1.32 -3.57 1.72 -0.58 -1.26 -4.03 120.64 108.82 2g44 n GLU 397 Ca -0.04 -0.30 -0.27 0.00 -0.42 0.00 0.00 57.16 56.13 2g44 n GLU 397 Cb 0.34 -1.40 -0.11 0.00 -0.57 0.00 0.00 31.44 29.71 2g44 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2g44 n HIS 398 N -0.06 0.74 -2.05 -0.32 8.25 -0.44 -5.11 115.22 116.22 2g44 n HIS 398 Ca 0.03 -3.71 -0.39 0.00 -0.26 0.00 0.00 57.72 53.40 2g44 n HIS 398 Cb 0.25 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2g44 n HIS 398 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2g44 s PRO 399 N -0.63 3.76 0.00 -0.41 0.02 -1.26 -2.24 135.00 134.24 2g44 s PRO 399 Ca 0.30 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2g44 s PRO 399 Cb 0.02 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2g44 s PRO 399 CO -0.18 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 2g44 n GLY 400 N 0.62 2.08 3.16 0.52 0.00 -1.26 -5.01 105.19 105.31 2g44 n GLY 400 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2g44 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g44 s LYS 401 N -0.24 0.80 -0.31 1.61 1.02 -0.95 -3.71 119.74 117.96 2g44 s LYS 401 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 2g44 s LYS 401 Cb 0.00 -0.53 0.05 0.00 -0.52 0.00 0.00 37.83 36.83 2g44 s LYS 401 CO 0.00 0.09 0.03 -0.51 -0.92 0.00 0.00 175.35 174.04 2g44 s LEU 402 N -2.24 4.05 -1.07 3.17 1.43 0.91 -4.79 118.68 120.14 2g44 s LEU 402 Ca 0.02 -1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 51.64 2g44 s LEU 402 Cb -0.05 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.51 2g44 s LEU 402 CO 0.00 -0.29 1.43 -0.22 0.23 0.00 0.00 176.35 177.50 2g44 s LEU 403 N 1.28 4.07 0.13 1.79 0.20 -1.26 -1.54 118.68 123.34 2g44 s LEU 403 Ca -0.04 -1.91 -0.12 0.00 0.69 0.00 0.00 54.13 52.75 2g44 s LEU 403 Cb -0.20 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 2g44 s LEU 403 CO -0.00 -1.27 1.48 -0.26 -0.29 0.00 0.00 176.35 176.00 2g44 h PHE 404 N 8.92 1.05 -3.14 5.38 0.04 -1.73 -3.42 116.94 124.05 2g44 h PHE 404 Ca 0.25 -0.30 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 2g44 h PHE 404 Cb 0.98 -0.23 -0.20 0.00 2.20 0.00 0.00 35.95 38.70 2g44 h PHE 404 CO 1.27 1.10 -0.30 0.00 -0.60 0.00 0.00 178.31 179.78 2g44 s ALA 405 N -4.47 -0.70 0.63 2.45 0.00 -1.13 -4.89 121.76 113.64 2g44 s ALA 405 Ca -0.11 0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.31 2g44 s ALA 405 Cb 0.11 0.12 1.29 0.00 0.00 0.00 0.00 23.12 24.64 2g44 s ALA 405 CO 0.86 -0.28 1.73 -1.35 0.00 0.00 0.00 175.76 176.73 2g44 h PRO 406 N 3.81 0.00 -0.08 0.00 0.11 -1.89 1.46 132.00 135.42 2g44 h PRO 406 Ca -0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 2g44 h PRO 406 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2g44 h PRO 406 CO 0.41 0.00 -0.21 0.27 -0.21 0.00 0.00 178.00 178.26 2g44 n ASN 407 N -3.18 2.27 -3.32 -2.05 6.94 -1.26 -4.75 115.26 109.90 2g44 n ASN 407 Ca 0.05 -3.50 -0.26 0.00 -0.02 0.00 0.00 54.58 50.85 2g44 n ASN 407 Cb 0.69 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 37.51 2g44 n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2g44 n LEU 408 N -1.18 -0.06 -4.43 -4.53 7.94 0.50 -4.86 117.00 110.38 2g44 n LEU 408 Ca 0.20 -4.54 -0.44 0.00 -1.11 0.00 0.00 56.01 50.12 2g44 n LEU 408 Cb 0.74 0.54 -0.08 0.00 0.53 0.00 0.00 43.42 45.15 2g44 n LEU 408 CO 0.03 1.95 0.10 -0.22 -1.11 0.00 0.00 177.39 178.14 2g44 s LEU 409 N -0.55 5.27 -0.15 -1.96 2.96 -1.25 -1.86 118.68 121.15 2g44 s LEU 409 Ca 0.34 -1.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.09 2g44 s LEU 409 Cb 0.10 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2g44 s LEU 409 CO -0.16 -0.67 0.17 -0.76 -1.32 0.00 0.00 176.35 173.61 2g44 s LEU 410 N 1.97 4.30 0.57 -0.68 2.01 -0.59 -4.89 118.68 121.36 2g44 s LEU 410 Ca 0.08 0.39 0.06 0.00 0.01 0.00 0.00 54.13 54.67 2g44 s LEU 410 Cb -0.21 -2.14 0.07 0.00 0.01 0.00 0.00 46.19 43.92 2g44 s LEU 410 CO 0.10 0.27 0.79 1.51 1.01 0.00 0.00 176.35 180.02 2g44 s ASP 411 N -0.23 5.08 0.23 2.29 1.47 -1.26 -0.07 116.67 124.19 2g44 s ASP 411 Ca 0.12 -0.52 -0.06 0.00 1.18 0.00 0.00 52.55 53.27 2g44 s ASP 411 Cb -0.12 -0.16 0.40 0.00 -0.34 0.00 0.00 42.92 42.70 2g44 s ASP 411 CO 0.02 -1.30 1.72 -0.09 0.68 0.00 0.00 175.17 176.20 2g44 h ARG 412 N 0.10 0.37 0.00 2.11 1.12 -1.99 -1.71 114.38 114.38 2g44 h ARG 412 Ca -0.35 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.46 2g44 h ARG 412 Cb 1.28 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 2g44 h ARG 412 CO 0.43 0.24 -0.17 -0.91 -3.11 0.00 0.00 179.97 176.46 2g44 h ASN 413 N 0.38 0.00 0.23 -3.80 2.35 -1.95 -2.74 115.58 110.05 2g44 h ASN 413 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2g44 h ASN 413 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2g44 h ASN 413 CO -0.41 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 175.54 2g44 n GLN 414 N -4.18 0.62 0.12 0.81 6.02 -0.64 -2.46 117.38 117.66 2g44 n GLN 414 Ca -0.02 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2g44 n GLN 414 Cb 0.24 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.01 2g44 n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2g44 h GLY 415 N 4.23 0.00 -5.58 1.08 0.00 -1.57 -3.41 103.07 97.81 2g44 h GLY 415 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2g44 h GLY 415 CO 0.00 0.00 0.85 0.28 0.00 0.00 0.00 176.54 177.67 2g44 n LYS 416 N -3.05 0.09 0.00 4.80 5.02 -1.03 -3.47 118.16 120.53 2g44 n LYS 416 Ca -0.01 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 2g44 n LYS 416 Cb 0.71 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2g44 n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2g44 n VAL 418 N 4.19 0.00 -2.37 -0.18 0.31 -1.26 -4.98 118.33 114.04 2g44 n VAL 418 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 2g44 n VAL 418 Cb 0.02 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 2g44 n VAL 418 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2g44 s GLU 419 N 0.00 4.44 0.00 5.55 1.03 -1.26 -2.01 118.70 126.45 2g44 s GLU 419 Ca 0.00 1.85 0.00 0.00 0.03 0.00 0.00 54.97 56.85 2g44 s GLU 419 Cb 0.00 -3.29 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 2g44 s GLU 419 CO 0.00 -0.21 0.00 0.41 -1.33 0.00 0.00 175.26 174.13 2g44 n GLY 420 N 2.84 0.71 0.11 -3.83 0.00 -1.26 -4.93 105.19 98.83 2g44 n GLY 420 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2g44 n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2g44 n MET 421 N -2.48 0.68 0.20 1.61 0.00 -0.85 -4.47 117.12 111.80 2g44 n MET 421 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 57.70 57.84 2g44 n MET 421 Cb 0.00 -1.56 0.54 0.00 0.00 0.00 0.00 33.22 32.20 2g44 n MET 421 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2g44 h VAL 422 N 0.00 1.07 0.00 1.12 3.04 -1.72 -0.20 116.25 119.56 2g44 h VAL 422 Ca -0.52 -0.29 -0.10 0.00 -1.01 0.00 0.00 66.70 64.78 2g44 h VAL 422 Cb 2.13 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 2g44 h VAL 422 CO 0.01 0.09 -0.50 1.05 -1.01 0.00 0.00 177.57 177.22 2g44 h GLU 423 N 0.11 0.00 0.11 4.17 9.09 -1.93 -1.14 114.58 124.99 2g44 h GLU 423 Ca 0.03 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.16 2g44 h GLU 423 Cb 0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2g44 h GLU 423 CO 0.00 0.50 -1.28 0.82 0.05 0.00 0.00 179.01 179.10 2g44 h ILE 424 N 0.00 1.44 -0.17 -1.06 2.04 -1.55 -2.58 117.51 115.63 2g44 h ILE 424 Ca -0.00 -3.04 0.05 0.00 1.00 0.00 0.00 64.86 62.86 2g44 h ILE 424 Cb 1.19 2.89 -0.07 0.00 -0.74 0.00 0.00 36.82 40.09 2g44 h ILE 424 CO 0.06 0.88 -0.32 0.15 0.00 0.00 0.00 178.15 178.92 2g44 h PHE 425 N 0.06 -0.90 -0.33 1.37 3.57 -1.00 0.03 116.94 119.75 2g44 h PHE 425 Ca -0.15 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.45 2g44 h PHE 425 Cb 1.96 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 41.07 2g44 h PHE 425 CO 0.06 -0.40 0.02 -0.44 -2.23 0.00 0.00 178.31 175.32 2g44 h ASP 426 N -0.38 -0.09 -0.44 0.41 3.32 -1.18 0.14 116.42 118.20 2g44 h ASP 426 Ca 0.11 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.25 2g44 h ASP 426 Cb 0.55 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2g44 h ASP 426 CO -0.38 -0.01 0.24 0.24 -1.72 0.00 0.00 179.24 177.61 2g44 h MET 427 N 0.11 0.47 -0.19 3.56 2.86 -1.23 -0.58 114.93 119.94 2g44 h MET 427 Ca 0.16 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2g44 h MET 427 Cb 0.20 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2g44 h MET 427 CO -0.25 0.31 0.11 -0.07 1.06 0.00 0.00 176.91 178.07 2g44 h LEU 428 N 0.48 0.19 -0.67 1.22 3.38 -0.14 -1.16 115.31 118.62 2g44 h LEU 428 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2g44 h LEU 428 Cb 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2g44 h LEU 428 CO -0.11 0.14 0.43 -0.07 0.09 0.00 0.00 178.44 178.92 2g44 h LEU 429 N 0.23 0.77 -1.50 1.67 3.38 -0.52 -2.11 115.31 117.24 2g44 h LEU 429 Ca 0.07 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2g44 h LEU 429 Cb -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2g44 h LEU 429 CO -0.03 0.57 0.41 0.00 0.09 0.00 0.00 178.44 179.48 2g44 h ALA 430 N 1.24 1.79 0.14 1.53 0.00 -0.71 -0.39 119.26 122.85 2g44 h ALA 430 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2g44 h ALA 430 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2g44 h ALA 430 CO -0.05 0.12 -0.07 1.15 0.00 0.00 0.00 179.25 180.40 2g44 h THR 431 N 0.62 1.00 -0.75 0.00 2.02 -0.59 -1.14 112.91 114.08 2g44 h THR 431 Ca 0.26 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.37 2g44 h THR 431 Cb 0.25 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 2g44 h THR 431 CO -0.08 0.24 0.49 0.77 0.37 0.00 0.00 175.52 177.31 2g44 h SER 432 N -0.75 0.79 -0.93 4.18 4.64 -1.24 0.14 113.55 120.38 2g44 h SER 432 Ca -0.02 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 2g44 h SER 432 Cb 0.53 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 2g44 h SER 432 CO 0.03 0.54 0.60 -1.28 -0.87 0.00 0.00 176.83 175.85 2g44 h SER 433 N 0.92 0.98 -0.54 4.97 0.87 -1.08 0.69 113.55 120.36 2g44 h SER 433 Ca 0.30 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2g44 h SER 433 Cb 0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2g44 h SER 433 CO -0.08 0.66 0.19 -0.09 -0.53 0.00 0.00 176.83 176.97 2g44 h ARG 434 N 1.14 0.83 0.13 2.24 1.12 0.49 -0.57 114.38 119.75 2g44 h ARG 434 Ca 0.38 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 2g44 h ARG 434 Cb 0.06 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2g44 h ARG 434 CO -0.14 0.75 -0.13 0.74 -3.11 0.00 0.00 179.97 178.08 2g44 h PHE 435 N 0.75 -0.33 -0.42 2.20 0.05 -0.24 0.65 116.94 119.60 2g44 h PHE 435 Ca 0.18 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.96 2g44 h PHE 435 Cb 0.25 0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 2g44 h PHE 435 CO 0.01 -0.20 0.22 -0.09 -0.18 0.00 0.00 178.31 178.08 2g44 h ARG 436 N -0.28 0.60 -0.93 1.51 2.43 -0.80 0.72 114.38 117.64 2g44 h ARG 436 Ca 0.01 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2g44 h ARG 436 Cb 0.27 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2g44 h ARG 436 CO -0.04 0.49 0.60 1.98 -1.51 0.00 0.00 179.97 181.49 2g44 h MET 437 N 0.55 1.10 0.00 0.20 4.05 -0.99 -0.34 114.93 119.50 2g44 h MET 437 Ca 0.15 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2g44 h MET 437 Cb 0.07 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2g44 h MET 437 CO -0.02 0.73 -0.04 -0.12 0.23 0.00 0.00 176.91 177.69 2g44 n MET 438 N -4.52 0.18 -3.47 0.39 0.00 0.21 -4.95 117.12 104.96 2g44 n MET 438 Ca 0.13 0.14 -0.20 0.00 -0.00 0.00 0.00 57.70 57.77 2g44 n MET 438 Cb 0.12 -1.70 0.08 0.00 0.00 0.00 0.00 33.22 31.73 2g44 n MET 438 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2g44 n ASN 439 N -2.00 -4.03 -4.65 6.12 2.85 0.24 -4.95 115.26 108.85 2g44 n ASN 439 Ca 0.06 -0.56 -0.44 0.00 -0.11 0.00 0.00 54.58 53.52 2g44 n ASN 439 Cb 0.40 -4.93 -0.02 0.00 1.24 0.00 0.00 39.78 36.47 2g44 n ASN 439 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2g44 n LEU 440 N -4.42 2.74 -4.87 1.20 0.00 -0.89 -5.00 117.00 105.76 2g44 n LEU 440 Ca -0.14 1.17 -0.35 0.00 0.00 0.00 0.00 56.01 56.69 2g44 n LEU 440 Cb 0.61 -1.39 -0.06 0.00 0.00 0.00 0.00 43.42 42.59 2g44 n LEU 440 CO 0.61 -0.80 -0.18 -1.10 0.00 0.00 0.00 177.39 175.92 2g44 s GLN 441 N -1.10 3.38 0.32 1.96 -1.52 -1.26 -4.94 119.66 116.49 2g44 s GLN 441 Ca 0.63 -0.27 0.07 0.00 -1.95 0.00 0.00 55.36 53.84 2g44 s GLN 441 Cb -0.66 -3.09 0.91 0.00 -0.22 0.00 0.00 33.01 29.94 2g44 s GLN 441 CO 0.56 0.72 1.60 0.78 -0.25 0.00 0.00 175.29 178.69 2g44 h GLY 442 N 4.37 1.57 0.96 3.09 0.00 -1.99 0.60 103.07 111.68 2g44 h GLY 442 Ca -0.51 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2g44 h GLY 442 CO 0.63 -0.55 0.15 0.83 0.00 0.00 0.00 176.54 177.61 2g44 h GLU 443 N 0.08 0.73 -0.65 4.80 3.07 -1.97 -1.79 114.58 118.85 2g44 h GLU 443 Ca 0.66 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 59.27 2g44 h GLU 443 Cb 1.47 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.25 2g44 h GLU 443 CO -0.80 0.70 0.06 0.93 -1.40 0.00 0.00 179.01 178.50 2g44 h GLU 444 N 0.63 1.10 -0.50 2.33 5.08 -0.36 -3.11 114.58 119.75 2g44 h GLU 444 Ca 0.15 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2g44 h GLU 444 Cb 0.27 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2g44 h GLU 444 CO -0.01 1.03 0.24 0.35 -1.00 0.00 0.00 179.01 179.63 2g44 h PHE 445 N 1.01 0.44 0.00 4.33 3.04 -0.32 -1.91 116.94 123.54 2g44 h PHE 445 Ca 0.19 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 2g44 h PHE 445 Cb 0.50 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 2g44 h PHE 445 CO 0.04 0.21 -0.14 -0.39 -2.02 0.00 0.00 178.31 176.00 2g44 h VAL 446 N 0.47 0.59 -0.11 1.41 -1.51 -1.29 -1.69 116.25 114.12 2g44 h VAL 446 Ca 0.22 -0.64 -0.11 0.00 -1.23 0.00 0.00 66.70 64.94 2g44 h VAL 446 Cb 0.15 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2g44 h VAL 446 CO -0.17 0.14 -0.37 0.00 -1.23 0.00 0.00 177.57 175.94 2g44 h LEU 448 N 0.03 0.53 -0.48 0.00 3.38 -0.91 -0.29 115.31 117.56 2g44 h LEU 448 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2g44 h LEU 448 Cb 1.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2g44 h LEU 448 CO 0.08 0.36 0.22 0.50 0.09 0.00 0.00 178.44 179.69 2g44 h LYS 449 N 0.66 0.70 -0.82 1.13 3.64 -1.37 -1.61 116.57 118.90 2g44 h LYS 449 Ca 0.25 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2g44 h LYS 449 Cb 0.09 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 2g44 h LYS 449 CO -0.13 0.60 0.48 0.77 -2.27 0.00 0.00 179.45 178.89 2g44 h SER 450 N 0.64 0.99 -0.35 4.20 0.02 -1.09 -2.66 113.55 115.29 2g44 h SER 450 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2g44 h SER 450 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2g44 h SER 450 CO -0.02 0.77 0.20 0.40 -1.14 0.00 0.00 176.83 177.04 2g44 h ILE 451 N 1.13 1.14 -0.87 3.27 2.04 -0.37 -2.52 117.51 121.33 2g44 h ILE 451 Ca 0.29 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2g44 h ILE 451 Cb -0.02 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2g44 h ILE 451 CO -0.05 0.14 0.54 0.40 0.00 0.00 0.00 178.15 179.19 2g44 h ILE 452 N 0.45 1.05 -0.39 -0.67 2.04 -1.05 0.46 117.51 119.41 2g44 h ILE 452 Ca 0.12 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2g44 h ILE 452 Cb 0.06 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2g44 h ILE 452 CO -0.02 0.18 0.21 0.25 0.00 0.00 0.00 178.15 178.77 2g44 h LEU 453 N 1.00 0.49 0.00 1.44 5.85 -1.13 -1.94 115.31 121.02 2g44 h LEU 453 Ca 0.38 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 2g44 h LEU 453 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2g44 h LEU 453 CO -0.17 0.45 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.46 2g44 h LEU 454 N 0.50 0.00 0.09 2.25 4.07 -1.12 -3.39 115.31 117.71 2g44 h LEU 454 Ca 0.14 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.79 2g44 h LEU 454 Cb 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2g44 h LEU 454 CO -0.02 0.53 -1.66 -1.13 -1.08 0.00 0.00 178.44 175.08 2g44 h ASN 455 N 0.00 0.31 -0.87 -0.43 -1.24 0.03 -3.36 115.58 110.01 2g44 h ASN 455 Ca -0.06 -0.81 0.06 0.00 0.71 0.00 0.00 56.30 56.20 2g44 h ASN 455 Cb 1.46 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 40.34 2g44 h ASN 455 CO 0.06 1.71 0.54 0.28 -1.29 0.00 0.00 177.43 178.73 2g44 h SER 456 N -0.30 0.86 0.27 1.15 0.02 -1.55 -2.57 113.55 111.44 2g44 h SER 456 Ca -0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2g44 h SER 456 Cb 1.78 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.16 2g44 h SER 456 CO 0.01 0.55 -0.69 0.61 -1.14 0.00 0.00 176.83 176.17 2g44 n GLY 457 N -1.33 -1.07 0.29 -3.77 0.00 -1.26 -4.49 105.19 93.55 2g44 n GLY 457 Ca 0.13 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.87 2g44 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2g44 h VAL 458 N 0.15 0.00 -0.03 1.61 3.04 -1.60 -1.64 116.25 117.78 2g44 h VAL 458 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2g44 h VAL 458 Cb 0.51 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2g44 h VAL 458 CO 0.00 0.00 -0.13 -1.22 -1.01 0.00 0.00 177.57 175.21 2g44 n TYR 459 N -2.87 0.00 -1.48 3.17 0.53 -1.26 -4.21 117.16 111.04 2g44 n TYR 459 Ca -0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.81 2g44 n TYR 459 Cb 0.10 -0.00 0.20 0.00 -1.03 0.00 0.00 39.34 38.60 2g44 n TYR 459 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 2g44 n THR 460 N 0.94 2.55 0.00 -0.72 -2.24 -0.62 -5.21 114.28 108.99 2g44 n THR 460 Ca 0.13 -2.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 2g44 n THR 460 Cb 0.56 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2g44 n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2g44 n PHE 461 N -1.12 0.00 0.00 4.78 3.72 -1.25 -5.12 117.46 118.46 2g44 n PHE 461 Ca 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 2g44 n PHE 461 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 2g44 n PHE 461 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2g44 n LYS 472 N 0.00 0.00 -0.15 -1.08 4.01 -1.26 -5.17 118.16 114.51 2g44 n LYS 472 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 2g44 n LYS 472 Cb 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 34.55 2g44 n LYS 472 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2g44 h ASP 473 N 0.00 0.44 -0.54 4.39 5.19 -2.01 -2.00 116.42 121.89 2g44 h ASP 473 Ca 0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 2g44 h ASP 473 Cb 0.00 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.34 2g44 h ASP 473 CO 0.00 0.31 0.06 -0.74 -3.12 0.00 0.00 179.24 175.76 2g44 h HIS 474 N 0.55 0.09 -0.70 4.55 -0.00 -2.02 0.37 115.15 117.98 2g44 h HIS 474 Ca 0.19 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.54 2g44 h HIS 474 Cb 0.02 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 2g44 h HIS 474 CO -0.07 -0.07 0.25 0.82 -0.00 0.00 0.00 177.93 178.86 2g44 h ILE 475 N 0.19 1.25 -0.17 6.26 2.04 -1.87 -0.72 117.51 124.48 2g44 h ILE 475 Ca 0.28 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 2g44 h ILE 475 Cb 0.42 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2g44 h ILE 475 CO -0.40 0.32 -0.54 0.45 0.00 0.00 0.00 178.15 177.98 2g44 h HIS 476 N 1.03 0.63 -0.43 1.37 3.86 -0.42 -0.77 115.15 120.41 2g44 h HIS 476 Ca 0.23 -0.22 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 2g44 h HIS 476 Cb 0.24 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2g44 h HIS 476 CO 0.02 0.93 -0.19 0.00 0.86 0.00 0.00 177.93 179.55 2g44 h ARG 477 N 0.39 0.85 -0.38 2.45 -0.00 -0.06 0.12 114.38 117.76 2g44 h ARG 477 Ca 0.01 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.98 59.07 2g44 h ARG 477 Cb 1.07 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 2g44 h ARG 477 CO 0.10 0.97 -0.10 0.28 0.00 0.00 0.00 179.97 181.22 2g44 h VAL 478 N 0.75 1.28 -0.70 2.04 2.07 -1.01 -1.28 116.25 119.39 2g44 h VAL 478 Ca 0.11 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.49 2g44 h VAL 478 Cb 0.72 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2g44 h VAL 478 CO 0.06 0.39 0.46 0.25 0.02 0.00 0.00 177.57 178.75 2g44 h LEU 479 N 0.53 0.71 -0.82 2.57 5.85 -0.94 0.11 115.31 123.32 2g44 h LEU 479 Ca 0.09 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 2g44 h LEU 479 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2g44 h LEU 479 CO 0.04 0.49 -0.41 0.44 -0.34 0.00 0.00 178.44 178.65 2g44 h ASP 480 N 0.83 0.39 -0.51 1.25 3.32 -0.67 -2.11 116.42 118.91 2g44 h ASP 480 Ca 0.28 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2g44 h ASP 480 Cb 0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2g44 h ASP 480 CO -0.08 0.76 -0.15 0.50 -1.72 0.00 0.00 179.24 178.55 2g44 h LYS 481 N 0.31 1.00 -0.11 3.56 3.64 0.16 -1.67 116.57 123.47 2g44 h LYS 481 Ca 0.03 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 2g44 h LYS 481 Cb 0.86 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2g44 h LYS 481 CO 0.07 1.07 -0.37 0.82 -2.27 0.00 0.00 179.45 178.77 2g44 h ILE 482 N 0.86 1.29 -0.32 2.00 2.04 -1.07 -1.94 117.51 120.38 2g44 h ILE 482 Ca 0.13 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 2g44 h ILE 482 Cb 0.72 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2g44 h ILE 482 CO 0.06 0.42 0.02 0.74 0.00 0.00 0.00 178.15 179.38 2g44 h THR 483 N 0.19 1.25 -0.56 -0.27 2.02 -1.21 -1.63 112.91 112.69 2g44 h THR 483 Ca 0.02 -0.91 0.10 0.00 0.77 0.00 0.00 66.41 66.39 2g44 h THR 483 Cb 0.75 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 2g44 h THR 483 CO 0.06 0.30 0.14 0.44 0.37 0.00 0.00 175.52 176.83 2g44 h ASP 484 N 0.35 0.06 -0.90 4.18 3.32 -1.00 -2.16 116.42 120.27 2g44 h ASP 484 Ca 0.09 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2g44 h ASP 484 Cb 0.41 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2g44 h ASP 484 CO 0.01 0.05 0.52 0.74 -1.72 0.00 0.00 179.24 178.84 2g44 h THR 485 N 0.29 1.25 -0.21 0.35 2.02 -1.16 0.23 112.91 115.68 2g44 h THR 485 Ca 0.29 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.92 2g44 h THR 485 Cb 0.40 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2g44 h THR 485 CO -0.35 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 175.81 2g44 h LEU 486 N 1.24 0.08 -0.21 2.58 3.38 -0.68 -1.52 115.31 120.18 2g44 h LEU 486 Ca 0.32 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2g44 h LEU 486 Cb -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2g44 h LEU 486 CO -0.06 0.07 0.09 0.40 0.09 0.00 0.00 178.44 179.04 2g44 h ILE 487 N 0.17 1.15 -0.87 1.22 1.08 -0.97 -2.39 117.51 116.90 2g44 h ILE 487 Ca 0.09 -0.45 0.15 0.00 -0.39 0.00 0.00 64.86 64.27 2g44 h ILE 487 Cb 0.06 1.07 -0.15 0.00 -3.07 0.00 0.00 36.82 34.72 2g44 h ILE 487 CO -0.10 0.15 -0.31 -0.74 -0.69 0.00 0.00 178.15 176.46 2g44 h HIS 488 N 0.19 -0.82 -0.80 1.37 2.76 -0.30 0.46 115.15 118.01 2g44 h HIS 488 Ca 0.07 0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 2g44 h HIS 488 Cb 0.15 0.49 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 2g44 h HIS 488 CO -0.02 -0.39 0.52 -0.07 -1.30 0.00 0.00 177.93 176.67 2g44 h LEU 489 N -0.04 0.88 -0.22 0.26 3.38 -0.89 -1.33 115.31 117.34 2g44 h LEU 489 Ca 0.35 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 2g44 h LEU 489 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2g44 h LEU 489 CO -0.90 0.62 -0.38 0.24 0.09 0.00 0.00 178.44 178.11 2g44 h MET 490 N 1.03 0.65 -0.07 1.13 2.86 -0.40 -2.18 114.93 117.95 2g44 h MET 490 Ca 0.31 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2g44 h MET 490 Cb -0.05 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2g44 h MET 490 CO -0.09 1.02 -0.02 0.00 1.06 0.00 0.00 176.91 178.88 2g44 h ALA 491 N 0.63 1.83 -0.17 6.32 0.00 0.09 -1.54 119.26 126.43 2g44 h ALA 491 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g44 h ALA 491 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2g44 h ALA 491 CO 0.09 0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.83 2g44 n LYS 492 N -4.45 2.09 0.00 0.00 2.85 -0.53 -3.67 118.16 114.45 2g44 n LYS 492 Ca -0.02 -1.62 0.11 0.00 -1.05 0.00 0.00 58.31 55.73 2g44 n LYS 492 Cb 0.14 -1.46 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 2g44 n LYS 492 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2g44 n ALA 493 N 0.89 3.84 0.00 0.58 0.00 -0.60 -4.96 120.51 120.26 2g44 n ALA 493 Ca 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2g44 n ALA 493 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2g44 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g44 n GLY 494 N 1.44 0.80 3.75 0.00 0.00 -1.13 -5.07 105.19 104.98 2g44 n GLY 494 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2g44 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g44 s LEU 495 N 0.00 4.39 0.00 0.99 1.43 -1.09 -5.00 118.68 119.40 2g44 s LEU 495 Ca 0.00 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 2g44 s LEU 495 Cb 0.00 -3.63 0.20 0.00 0.03 0.00 0.00 46.19 42.79 2g44 s LEU 495 CO 0.00 -0.67 0.66 0.35 0.23 0.00 0.00 176.35 176.92 2g44 n THR 496 N 1.94 0.00 -0.03 5.49 -2.24 -1.26 -4.60 114.28 113.58 2g44 n THR 496 Ca 0.05 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2g44 n THR 496 Cb 0.41 -1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 2g44 n THR 496 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2g44 h LEU 497 N 0.00 0.82 -0.51 3.22 5.85 -2.00 -1.38 115.31 121.32 2g44 h LEU 497 Ca -0.26 -0.63 -0.14 0.00 0.84 0.00 0.00 57.88 57.69 2g44 h LEU 497 Cb 0.80 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2g44 h LEU 497 CO 0.16 1.32 -0.68 0.06 -0.34 0.00 0.00 178.44 178.97 2g44 h GLN 498 N 0.38 0.00 -0.54 1.25 3.07 -2.00 -2.95 115.11 114.31 2g44 h GLN 498 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.58 2g44 h GLN 498 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.84 2g44 h GLN 498 CO 0.14 0.68 -0.12 1.96 0.09 0.00 0.00 178.83 181.58 2g44 h GLN 499 N 0.00 1.04 0.14 0.06 4.20 -1.89 -1.41 115.11 117.25 2g44 h GLN 499 Ca -0.01 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.33 2g44 h GLN 499 Cb 1.28 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 2g44 h GLN 499 CO 0.09 1.08 -0.34 1.96 -0.67 0.00 0.00 178.83 180.95 2g44 h GLN 500 N 0.92 -0.56 0.00 1.46 4.20 -1.16 -1.41 115.11 118.56 2g44 h GLN 500 Ca 0.14 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 2g44 h GLN 500 Cb 0.69 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 2g44 h GLN 500 CO 0.05 -0.37 -0.14 1.12 -0.67 0.00 0.00 178.83 178.82 2g44 h HIS 501 N -0.58 0.00 -0.08 2.96 2.07 -1.39 -2.02 115.15 116.10 2g44 h HIS 501 Ca 0.02 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.42 2g44 h HIS 501 Cb 0.60 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.59 2g44 h HIS 501 CO -0.29 0.14 -0.42 1.96 -3.07 0.00 0.00 177.93 176.24 2g44 h GLN 502 N 0.00 0.43 -0.58 5.12 4.20 -1.14 -2.38 115.11 120.76 2g44 h GLN 502 Ca -0.00 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 2g44 h GLN 502 Cb 0.74 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2g44 h GLN 502 CO 0.02 0.99 0.15 -0.09 -0.67 0.00 0.00 178.83 179.22 2g44 h ARG 503 N -0.02 0.89 -0.44 1.46 2.43 -1.06 -0.90 114.38 116.73 2g44 h ARG 503 Ca -0.03 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.87 2g44 h ARG 503 Cb 1.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2g44 h ARG 503 CO 0.09 0.79 -0.09 1.25 -1.51 0.00 0.00 179.97 180.50 2g44 h LEU 504 N 0.86 0.77 -0.28 3.80 7.12 -1.41 0.33 115.31 126.49 2g44 h LEU 504 Ca 0.19 -0.22 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 2g44 h LEU 504 Cb 0.30 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 2g44 h LEU 504 CO -0.00 0.89 0.01 0.00 -0.13 0.00 0.00 178.44 179.21 2g44 h ALA 505 N 1.18 0.38 -0.26 1.25 0.00 -1.00 -2.47 119.26 118.33 2g44 h ALA 505 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2g44 h ALA 505 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2g44 h ALA 505 CO 0.03 0.11 -0.14 1.96 0.00 0.00 0.00 179.25 181.21 2g44 h GLN 506 N 0.29 0.45 0.81 0.00 4.20 -0.78 -0.35 115.11 119.72 2g44 h GLN 506 Ca 0.08 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2g44 h GLN 506 Cb 0.41 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2g44 h GLN 506 CO 0.01 0.59 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.31 2g44 h LEU 507 N 0.42 -0.92 -1.65 1.46 3.38 -0.92 -3.00 115.31 114.08 2g44 h LEU 507 Ca 0.08 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2g44 h LEU 507 Cb 0.50 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2g44 h LEU 507 CO 0.03 -0.56 -0.20 -0.07 0.09 0.00 0.00 178.44 177.74 2g44 h LEU 508 N -1.27 0.00 -1.96 1.67 3.38 -1.33 -1.19 115.31 114.60 2g44 h LEU 508 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2g44 h LEU 508 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2g44 h LEU 508 CO 0.18 0.20 -0.08 -0.07 0.09 0.00 0.00 178.44 178.76 2g44 h LEU 509 N 0.00 0.00 -0.15 1.67 3.38 -1.06 -2.50 115.31 116.65 2g44 h LEU 509 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2g44 h LEU 509 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2g44 h LEU 509 CO 0.03 0.08 -0.93 0.40 0.09 0.00 0.00 178.44 178.10 2g44 h ILE 510 N 0.00 1.66 -0.34 1.22 2.04 -1.07 -3.08 117.51 117.94 2g44 h ILE 510 Ca -0.00 -3.15 0.07 0.00 1.00 0.00 0.00 64.86 62.78 2g44 h ILE 510 Cb 0.34 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 2g44 h ILE 510 CO 0.01 0.90 0.23 -0.07 0.00 0.00 0.00 178.15 179.23 2g44 h LEU 511 N 0.01 0.12 -1.34 1.44 4.07 -1.43 0.15 115.31 118.32 2g44 h LEU 511 Ca -0.01 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 2g44 h LEU 511 Cb 1.64 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 2g44 h LEU 511 CO 0.12 0.07 -0.17 -1.28 -1.08 0.00 0.00 178.44 176.11 2g44 h SER 512 N 0.13 0.22 0.10 -0.43 0.87 -1.55 -1.62 113.55 111.27 2g44 h SER 512 Ca 0.15 -0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.40 2g44 h SER 512 Cb 0.45 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2g44 h SER 512 CO -0.02 0.41 -1.06 0.45 -0.53 0.00 0.00 176.83 176.09 2g44 h HIS 513 N 0.22 0.94 -0.58 2.24 3.86 -0.84 -2.64 115.15 118.35 2g44 h HIS 513 Ca 0.04 -0.53 -0.02 0.00 -1.16 0.00 0.00 60.37 58.71 2g44 h HIS 513 Cb 0.44 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2g44 h HIS 513 CO 0.01 1.36 0.30 0.82 0.86 0.00 0.00 177.93 181.28 2g44 h ILE 514 N 0.34 1.18 -0.29 2.45 2.04 -1.16 0.46 117.51 122.54 2g44 h ILE 514 Ca -0.13 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2g44 h ILE 514 Cb 1.71 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2g44 h ILE 514 CO 0.20 0.21 -0.11 -0.09 0.00 0.00 0.00 178.15 178.37 2g44 h ARG 515 N 0.81 0.48 -0.21 2.37 9.65 -1.22 -1.13 114.38 125.13 2g44 h ARG 515 Ca 0.20 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.88 2g44 h ARG 515 Cb 0.05 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2g44 h ARG 515 CO -0.03 0.59 -0.17 1.25 2.80 0.00 0.00 179.97 184.41 2g44 h HIS 516 N 0.45 0.58 -0.50 2.20 2.76 -0.62 -2.42 115.15 117.61 2g44 h HIS 516 Ca 0.09 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 58.01 2g44 h HIS 516 Cb 0.46 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2g44 h HIS 516 CO 0.01 0.82 -0.02 0.52 -1.30 0.00 0.00 177.93 177.96 2g44 h MET 517 N 0.18 0.84 -0.74 5.26 2.86 -0.83 -2.03 114.93 120.48 2g44 h MET 517 Ca 0.04 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2g44 h MET 517 Cb 0.70 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 2g44 h MET 517 CO 0.04 0.86 0.45 1.03 1.06 0.00 0.00 176.91 180.35 2g44 h SER 518 N 0.78 0.70 -0.26 1.22 0.87 -1.06 0.24 113.55 116.03 2g44 h SER 518 Ca 0.15 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 2g44 h SER 518 Cb 0.50 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2g44 h SER 518 CO 0.02 0.46 -0.41 0.78 -0.53 0.00 0.00 176.83 177.16 2g44 h ASN 519 N 0.84 0.88 -0.46 6.23 2.35 -1.01 -0.88 115.58 123.52 2g44 h ASN 519 Ca 0.32 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2g44 h ASN 519 Cb 0.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2g44 h ASN 519 CO -0.15 1.17 0.21 0.11 -1.65 0.00 0.00 177.43 177.12 2g44 h LYS 520 N 0.66 0.67 0.00 0.81 6.56 -0.90 -2.32 116.57 122.05 2g44 h LYS 520 Ca 0.05 -0.11 -0.13 0.00 -1.06 0.00 0.00 60.65 59.40 2g44 h LYS 520 Cb 0.98 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.50 2g44 h LYS 520 CO 0.09 0.59 -0.63 0.78 -2.06 0.00 0.00 179.45 178.22 2g44 h GLY 521 N 0.60 0.00 1.09 3.86 0.00 -0.44 -1.47 103.07 106.71 2g44 h GLY 521 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 2g44 h GLY 521 CO -0.02 0.00 -0.41 1.98 0.00 0.00 0.00 176.54 178.10 2g44 h MET 522 N 0.00 0.86 -0.56 4.80 1.85 -1.11 0.61 114.93 121.37 2g44 h MET 522 Ca -0.01 -0.48 -0.06 0.00 -0.61 0.00 0.00 59.70 58.54 2g44 h MET 522 Cb 1.19 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 2g44 h MET 522 CO 0.08 1.12 0.10 0.93 -0.40 0.00 0.00 176.91 178.74 2g44 h GLU 523 N 0.65 0.90 -0.38 0.39 4.39 -1.28 -2.02 114.58 117.22 2g44 h GLU 523 Ca 0.04 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2g44 h GLU 523 Cb 1.00 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2g44 h GLU 523 CO 0.10 0.83 0.04 1.25 -1.16 0.00 0.00 179.01 180.07 2g44 h HIS 524 N 0.85 0.69 -0.26 4.33 2.76 -1.05 -1.56 115.15 120.92 2g44 h HIS 524 Ca 0.18 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2g44 h HIS 524 Cb 0.37 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2g44 h HIS 524 CO 0.02 0.70 0.14 1.25 -1.30 0.00 0.00 177.93 178.74 2g44 h LEU 525 N 0.48 0.21 -1.82 0.26 7.12 -0.71 -1.20 115.31 119.66 2g44 h LEU 525 Ca 0.11 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2g44 h LEU 525 Cb 0.40 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2g44 h LEU 525 CO 0.01 0.16 -0.10 0.22 -0.13 0.00 0.00 178.44 178.60 2g44 h TYR 526 N 0.29 0.00 -0.52 1.25 5.03 -1.26 -0.62 116.97 121.14 2g44 h TYR 526 Ca 0.10 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.32 2g44 h TYR 526 Cb 0.02 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 2g44 h TYR 526 CO -0.09 0.10 -0.04 1.03 -1.32 0.00 0.00 178.16 177.84 2g44 h SER 527 N 0.00 0.93 0.58 -2.11 0.87 -0.46 -3.04 113.55 110.32 2g44 h SER 527 Ca -0.00 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 60.11 2g44 h SER 527 Cb 0.17 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2g44 h SER 527 CO 0.01 1.03 -0.58 0.24 -0.53 0.00 0.00 176.83 177.00 2g44 h MET 528 N 0.81 0.00 -0.71 2.24 2.86 0.00 -1.42 114.93 118.71 2g44 h MET 528 Ca 0.14 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2g44 h MET 528 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2g44 h MET 528 CO 0.03 0.59 0.00 1.17 1.06 0.00 0.00 176.91 179.76 2g44 n LYS 529 N -3.84 0.40 0.00 1.72 4.81 -0.50 -1.85 118.16 118.89 2g44 n LYS 529 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2g44 n LYS 529 Cb 0.59 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.41 2g44 n LYS 529 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2g44 n LYS 531 N 0.43 0.00 -3.68 1.64 2.85 -0.54 -4.63 118.16 114.24 2g44 n LYS 531 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2g44 n LYS 531 Cb 0.13 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.47 2g44 n LYS 531 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2g44 n ASN 532 N 0.00 -0.49 0.00 -5.58 4.05 -0.85 -4.82 115.26 107.56 2g44 n ASN 532 Ca 0.00 -0.73 0.10 0.00 0.45 0.00 0.00 54.58 54.39 2g44 n ASN 532 Cb 0.00 -0.90 0.45 0.00 1.23 0.00 0.00 39.78 40.56 2g44 n ASN 532 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2g44 n VAL 533 N -3.13 0.57 -3.64 3.44 0.24 -0.77 -4.75 118.33 110.29 2g44 n VAL 533 Ca -0.14 0.14 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2g44 n VAL 533 Cb 0.37 -0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 2g44 n VAL 533 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2g44 s VAL 534 N -2.88 0.00 0.03 3.34 0.11 -1.26 -4.65 120.40 115.09 2g44 s VAL 534 Ca 0.12 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.87 2g44 s VAL 534 Cb 0.13 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 2g44 s VAL 534 CO 0.35 0.00 1.35 -2.16 -3.33 0.00 0.00 175.10 171.30 2g44 s PRO 535 N 0.68 4.32 0.49 1.54 0.04 -1.26 -4.77 135.00 136.05 2g44 s PRO 535 Ca -0.02 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 2g44 s PRO 535 Cb -0.05 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2g44 s PRO 535 CO -0.10 -0.48 0.78 -0.51 0.04 0.00 0.00 177.00 176.73 2g44 s LEU 536 N 1.88 3.56 0.84 -3.56 1.43 -1.26 -5.07 118.68 116.50 2g44 s LEU 536 Ca 0.62 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 2g44 s LEU 536 Cb -0.32 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.38 2g44 s LEU 536 CO 0.27 -0.70 1.15 -0.94 0.23 0.00 0.00 176.35 176.35 2g44 s SER 537 N -4.17 4.17 0.24 2.29 1.04 -1.26 -4.90 113.70 111.10 2g44 s SER 537 Ca 0.49 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.84 2g44 s SER 537 Cb -0.10 -1.53 0.26 0.00 0.10 0.00 0.00 66.02 64.75 2g44 s SER 537 CO 0.43 -2.13 1.69 0.44 0.98 0.00 0.00 173.24 174.64 2g44 h ASP 538 N -1.21 0.75 -0.05 7.02 3.32 -1.99 -2.49 116.42 121.76 2g44 h ASP 538 Ca -0.48 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.31 2g44 h ASP 538 Cb 1.32 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 2g44 h ASP 538 CO 0.63 0.90 -0.07 0.25 -1.72 0.00 0.00 179.24 179.23 2g44 h LEU 539 N 0.68 0.15 -0.65 1.55 5.85 -1.98 -2.24 115.31 118.66 2g44 h LEU 539 Ca 0.11 -0.53 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2g44 h LEU 539 Cb 0.62 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2g44 h LEU 539 CO 0.04 0.64 0.31 -0.07 -0.34 0.00 0.00 178.44 179.03 2g44 h LEU 540 N -0.35 0.40 -0.90 2.25 3.38 -1.94 0.18 115.31 118.33 2g44 h LEU 540 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2g44 h LEU 540 Cb 0.61 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2g44 h LEU 540 CO 0.02 0.24 0.58 -0.07 0.09 0.00 0.00 178.44 179.30 2g44 h LEU 541 N 0.55 0.96 0.35 1.67 3.38 -1.44 0.61 115.31 121.38 2g44 h LEU 541 Ca 0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2g44 h LEU 541 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2g44 h LEU 541 CO -0.25 0.66 -0.17 -0.33 0.09 0.00 0.00 178.44 178.44 2g44 h GLU 542 N 1.12 -0.45 -0.56 1.13 5.08 -0.55 0.81 114.58 121.15 2g44 h GLU 542 Ca 0.36 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.84 2g44 h GLU 542 Cb 0.02 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 2g44 h GLU 542 CO -0.12 -0.19 -0.41 0.52 -1.00 0.00 0.00 179.01 177.80 2g44 h MET 543 N -0.64 -0.21 -0.70 2.33 2.86 -0.37 -1.51 114.93 116.68 2g44 h MET 543 Ca -0.05 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2g44 h MET 543 Cb 0.46 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 2g44 h MET 543 CO 0.08 -0.14 0.36 1.25 1.06 0.00 0.00 176.91 179.52 2g44 h LEU 544 N -0.22 0.49 0.00 1.22 5.85 0.34 -2.48 115.31 120.50 2g44 h LEU 544 Ca 0.19 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2g44 h LEU 544 Cb 0.56 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2g44 h LEU 544 CO -0.67 0.29 0.00 0.47 -0.34 0.00 0.00 178.44 178.18 2g44 n ASP 545 N -4.84 0.00 0.03 1.25 8.00 0.27 -1.97 116.55 119.28 2g44 n ASP 545 Ca 0.10 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.75 2g44 n ASP 545 Cb 0.25 -0.32 0.48 0.00 -0.02 0.00 0.00 41.12 41.51 2g44 n ASP 545 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g44 n ALA 546 N -1.32 2.05 -2.63 2.24 0.00 -0.93 -4.75 120.51 115.17 2g44 n ALA 546 Ca 0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2g44 n ALA 546 Cb 0.22 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 2g44 n ALA 546 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2g44 s HIS 547 N -3.05 2.75 -0.12 0.00 3.76 -0.83 -5.12 115.29 112.69 2g44 s HIS 547 Ca 0.10 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2g44 s HIS 547 Cb 0.14 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 2g44 s HIS 547 CO 0.44 0.53 -0.08 1.03 -0.85 0.00 0.00 174.74 175.82 2g44 s ARG 548 N -3.05 3.24 0.12 1.40 0.52 -1.26 -5.00 118.95 114.92 2g44 s ARG 548 Ca 0.27 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2g44 s ARG 548 Cb -0.09 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.68 2g44 s ARG 548 CO 0.18 0.39 0.17 1.28 0.02 0.00 0.00 175.30 177.34 2g44 n LEU 549 N 3.06 0.00 -3.81 2.53 4.32 -1.26 -5.10 117.00 116.74 2g44 n LEU 549 Ca -0.18 -0.99 -0.03 0.00 -0.02 0.00 0.00 56.01 54.79 2g44 n LEU 549 Cb 0.53 0.89 0.00 0.00 -1.62 0.00 0.00 43.42 43.22 2g44 n LEU 549 CO 0.30 -0.23 0.81 -1.38 -1.22 0.00 0.00 177.39 175.68 2g44 s HIS 550 N -4.32 -0.02 -0.30 -1.77 -3.43 -1.26 -5.17 115.29 99.02 2g44 s HIS 550 Ca 0.10 -0.30 -0.03 0.00 -0.80 0.00 0.00 55.06 54.03 2g44 s HIS 550 Cb -0.00 0.66 0.19 0.00 -1.43 0.00 0.00 32.58 31.99 2g44 s HIS 550 CO 0.07 -0.79 0.70 0.00 -2.00 0.00 0.00 174.74 172.72 2g44 s ALA 551 N -2.63 -2.58 -2.00 -1.38 0.00 -1.26 -4.82 121.76 107.08 2g44 s ALA 551 Ca 0.17 1.63 0.30 0.00 0.00 0.00 0.00 51.96 54.06 2g44 s ALA 551 Cb -0.01 -2.32 1.81 0.00 0.00 0.00 0.00 23.12 22.60 2g44 s ALA 551 CO 0.03 -1.46 2.14 -0.35 0.00 0.00 0.00 175.76 176.11