#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a52 h ALA 307 N 0.00 0.86 0.00 -1.18 0.00 -1.97 -1.45 119.26 115.51 1a52 h ALA 307 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a52 h ALA 307 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1a52 h ALA 307 CO 0.00 0.53 0.09 1.28 0.00 0.00 0.00 179.25 181.14 1a52 n LEU 308 N -4.35 0.02 -0.04 0.00 4.77 -1.26 -0.61 117.00 115.52 1a52 n LEU 308 Ca 0.04 0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 1a52 n LEU 308 Cb 0.21 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1a52 n LEU 308 CO 0.41 -0.43 -0.69 -1.20 -1.33 0.00 0.00 177.39 174.14 1a52 n SER 309 N -1.44 2.02 -4.46 -1.43 7.64 -0.55 -4.96 113.62 110.44 1a52 n SER 309 Ca -0.00 0.30 -0.57 0.00 1.01 0.00 0.00 58.87 59.61 1a52 n SER 309 Cb 0.09 -0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 1a52 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a52 n LEU 310 N -3.88 -0.14 -4.91 -3.43 4.32 0.22 -4.95 117.00 104.22 1a52 n LEU 310 Ca -0.32 1.15 -0.29 0.00 -0.02 0.00 0.00 56.01 56.52 1a52 n LEU 310 Cb 0.90 -0.92 0.13 0.00 -1.62 0.00 0.00 43.42 41.91 1a52 n LEU 310 CO 0.33 -2.01 0.82 0.42 -1.22 0.00 0.00 177.39 175.73 1a52 s THR 311 N -0.11 2.00 0.17 -5.08 -4.23 -1.26 -4.76 115.64 102.37 1a52 s THR 311 Ca 0.87 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1a52 s THR 311 Cb -1.22 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 69.68 1a52 s THR 311 CO 0.57 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.38 1a52 h ALA 312 N -1.27 0.48 -0.14 3.99 0.00 -1.93 0.08 119.26 120.47 1a52 h ALA 312 Ca -0.45 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1a52 h ALA 312 Cb 1.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1a52 h ALA 312 CO 0.56 -0.29 -0.03 -0.44 0.00 0.00 0.00 179.25 179.05 1a52 h ASP 313 N 0.25 0.18 -0.00 0.00 3.32 -1.96 -0.85 116.42 117.35 1a52 h ASP 313 Ca 0.21 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.98 1a52 h ASP 313 Cb 0.23 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.76 1a52 h ASP 313 CO -0.25 0.25 -0.98 1.56 -1.72 0.00 0.00 179.24 178.11 1a52 h GLN 314 N 0.20 0.70 -0.37 3.56 4.20 -1.67 -2.61 115.11 119.11 1a52 h GLN 314 Ca 0.05 -0.71 -0.02 0.00 0.06 0.00 0.00 58.65 58.03 1a52 h GLN 314 Cb 0.19 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1a52 h GLN 314 CO 0.01 1.29 0.14 1.98 -0.67 0.00 0.00 178.83 181.58 1a52 h MET 315 N 0.42 0.52 0.32 1.46 4.05 -0.19 -0.76 114.93 120.75 1a52 h MET 315 Ca -0.11 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 1a52 h MET 315 Cb 1.62 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1a52 h MET 315 CO 0.19 0.44 -0.15 0.28 0.23 0.00 0.00 176.91 177.90 1a52 h VAL 316 N 0.52 0.43 -0.45 -5.77 2.07 -1.09 -2.94 116.25 109.04 1a52 h VAL 316 Ca 0.13 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1a52 h VAL 316 Cb 0.12 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1a52 h VAL 316 CO -0.01 0.10 0.02 0.28 0.02 0.00 0.00 177.57 177.97 1a52 h SER 317 N -0.98 -0.15 -0.10 0.57 0.02 -1.36 0.19 113.55 111.74 1a52 h SER 317 Ca -0.04 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1a52 h SER 317 Cb 0.50 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1a52 h SER 317 CO 0.07 -0.04 -0.10 0.00 -1.14 0.00 0.00 176.83 175.62 1a52 h ALA 318 N 1.39 -0.32 -0.53 3.77 0.00 -1.22 0.19 119.26 122.54 1a52 h ALA 318 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1a52 h ALA 318 Cb 0.32 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1a52 h ALA 318 CO -0.36 -0.38 -0.11 -0.07 0.00 0.00 0.00 179.25 178.34 1a52 h LEU 319 N -0.06 -0.44 -1.06 0.00 3.38 -1.24 -0.43 115.31 115.46 1a52 h LEU 319 Ca 0.02 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1a52 h LEU 319 Cb 0.10 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1a52 h LEU 319 CO -0.12 -0.16 0.63 -0.07 0.09 0.00 0.00 178.44 178.81 1a52 h LEU 320 N 0.02 0.94 -0.69 1.67 3.38 0.28 -0.90 115.31 120.02 1a52 h LEU 320 Ca 0.26 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1a52 h LEU 320 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1a52 h LEU 320 CO -0.52 0.56 -0.47 0.44 0.09 0.00 0.00 178.44 178.53 1a52 h ASP 321 N 1.04 0.00 0.80 -0.43 5.19 0.92 -2.88 116.42 121.07 1a52 h ASP 321 Ca 0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1a52 h ASP 321 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1a52 h ASP 321 CO -0.21 0.47 0.00 0.00 -3.12 0.00 0.00 179.24 176.38 1a52 n ALA 322 N -2.30 1.86 -1.63 3.45 0.00 -0.36 -4.85 120.51 116.68 1a52 n ALA 322 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 53.44 52.93 1a52 n ALA 322 Cb 0.59 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1a52 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a52 n GLU 323 N -1.87 1.51 -1.31 0.00 -0.58 -1.07 -4.67 120.64 112.65 1a52 n GLU 323 Ca 0.04 0.55 -0.31 0.00 -0.42 0.00 0.00 57.16 57.01 1a52 n GLU 323 Cb 0.26 -2.24 0.08 0.00 -0.57 0.00 0.00 31.44 28.97 1a52 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1a52 s PRO 324 N 0.99 2.36 0.59 3.49 0.04 -1.26 -5.01 135.00 136.20 1a52 s PRO 324 Ca 0.84 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1a52 s PRO 324 Cb -0.86 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1a52 s PRO 324 CO 0.45 -1.56 1.12 -2.14 0.04 0.00 0.00 177.00 174.91 1a52 s PRO 325 N -4.90 3.12 -0.22 0.56 0.02 -1.26 -4.97 135.00 127.36 1a52 s PRO 325 Ca 0.61 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.93 1a52 s PRO 325 Cb -0.17 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 1a52 s PRO 325 CO 0.55 -1.01 0.65 0.42 -0.33 0.00 0.00 177.00 177.28 1a52 s ILE 326 N -2.02 4.99 0.52 2.83 1.01 -1.26 -5.04 121.20 122.23 1a52 s ILE 326 Ca 0.70 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 62.49 1a52 s ILE 326 Cb -0.22 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1a52 s ILE 326 CO 0.33 0.06 0.87 -0.76 0.00 0.00 0.00 174.94 175.44 1a52 s LEU 327 N 2.22 3.52 0.03 2.97 1.43 -1.26 -4.98 118.68 122.61 1a52 s LEU 327 Ca 0.29 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1a52 s LEU 327 Cb -0.16 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1a52 s LEU 327 CO 0.09 -0.66 0.11 -0.31 0.23 0.00 0.00 176.35 175.82 1a52 s TYR 328 N -2.85 3.31 0.09 0.29 1.51 -1.26 -4.21 117.35 114.22 1a52 s TYR 328 Ca 0.50 0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 56.44 1a52 s TYR 328 Cb -0.10 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1a52 s TYR 328 CO 0.46 0.55 1.00 0.45 -1.11 0.00 0.00 175.55 176.91 1a52 s SER 329 N -2.10 7.41 0.00 2.29 0.15 -1.26 -4.87 113.70 115.32 1a52 s SER 329 Ca 0.27 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1a52 s SER 329 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1a52 s SER 329 CO 0.19 -0.17 0.93 -1.84 1.20 0.00 0.00 173.24 173.56 1a52 n GLU 330 N 3.12 0.59 -2.30 5.44 0.28 -1.26 -4.83 120.64 121.68 1a52 n GLU 330 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.63 1a52 n GLU 330 Cb 0.49 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 32.12 1a52 n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1a52 s TYR 331 N 0.66 3.33 -0.29 -1.84 5.04 -1.26 -5.05 117.35 117.93 1a52 s TYR 331 Ca 0.00 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.12 1a52 s TYR 331 Cb 0.00 -3.49 0.08 0.00 0.35 0.00 0.00 41.96 38.91 1a52 s TYR 331 CO 0.00 -1.31 0.03 0.34 -1.34 0.00 0.00 175.55 173.27 1a52 s ASP 332 N -0.36 4.21 0.63 4.32 2.15 -1.26 -4.99 116.67 121.38 1a52 s ASP 332 Ca 0.50 -1.64 0.40 0.00 0.43 0.00 0.00 52.55 52.24 1a52 s ASP 332 Cb -0.35 -1.24 2.13 0.00 -0.30 0.00 0.00 42.92 43.17 1a52 s ASP 332 CO 0.43 -0.34 2.28 1.55 -0.17 0.00 0.00 175.17 178.93 1a52 h PRO 333 N 7.88 0.00 -0.12 4.34 0.13 -1.97 -2.10 132.00 140.16 1a52 h PRO 333 Ca -0.12 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1a52 h PRO 333 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1a52 h PRO 333 CO 0.47 0.01 0.45 1.15 -0.23 0.00 0.00 178.00 179.85 1a52 h THR 334 N 0.00 0.08 -3.25 1.56 2.02 -2.04 -3.40 112.91 107.88 1a52 h THR 334 Ca -0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 1a52 h THR 334 Cb 0.11 0.57 -0.18 0.00 -1.74 0.00 0.00 68.15 66.91 1a52 h THR 334 CO 0.00 0.00 -0.81 -0.60 0.37 0.00 0.00 175.52 174.49 1a52 s ARG 335 N -4.21 1.40 0.86 6.66 3.52 -0.79 -5.15 118.95 121.23 1a52 s ARG 335 Ca -0.03 -1.46 -0.13 0.00 -0.13 0.00 0.00 55.73 53.98 1a52 s ARG 335 Cb 0.09 -1.61 0.11 0.00 -1.56 0.00 0.00 34.95 31.99 1a52 s ARG 335 CO 0.31 0.34 1.18 -1.25 -0.81 0.00 0.00 175.30 175.07 1a52 s PRO 336 N -2.70 1.58 -0.18 5.12 0.04 -1.26 -4.94 135.00 132.66 1a52 s PRO 336 Ca 0.18 0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 1a52 s PRO 336 Cb -0.07 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1a52 s PRO 336 CO 0.08 -1.86 0.22 -0.06 0.04 0.00 0.00 177.00 175.42 1a52 s PHE 337 N -3.52 3.44 0.04 0.56 0.08 -1.26 -4.99 117.98 112.33 1a52 s PHE 337 Ca 0.64 0.47 0.04 0.00 0.12 0.00 0.00 56.93 58.20 1a52 s PHE 337 Cb -0.11 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 1a52 s PHE 337 CO 0.51 0.26 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.64 1a52 s SER 338 N 0.43 1.41 0.03 1.36 0.01 -1.26 -4.96 113.70 110.72 1a52 s SER 338 Ca 0.13 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 1a52 s SER 338 Cb -0.12 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1a52 s SER 338 CO 0.01 -0.03 0.54 1.21 0.41 0.00 0.00 173.24 175.38 1a52 n GLU 339 N 1.81 -0.07 0.21 12.44 0.00 -1.14 0.24 120.64 134.13 1a52 n GLU 339 Ca -0.19 0.53 0.06 0.00 0.00 0.00 0.00 57.16 57.56 1a52 n GLU 339 Cb 0.55 -0.79 0.44 0.00 0.00 0.00 0.00 31.44 31.64 1a52 n GLU 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a52 h ALA 340 N -0.21 1.23 0.23 4.31 0.00 -1.97 -2.73 119.26 120.12 1a52 h ALA 340 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1a52 h ALA 340 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a52 h ALA 340 CO -0.15 0.39 -0.11 1.03 0.00 0.00 0.00 179.25 180.41 1a52 h SER 341 N 0.00 -0.26 -0.04 0.00 0.87 0.27 -2.19 113.55 112.19 1a52 h SER 341 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a52 h SER 341 Cb 0.66 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1a52 h SER 341 CO 0.04 -0.18 0.02 -0.03 -0.53 0.00 0.00 176.83 176.15 1a52 h MET 342 N -0.31 0.06 -0.47 2.24 -1.53 -0.49 -2.09 114.93 112.34 1a52 h MET 342 Ca -0.03 -0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.32 1a52 h MET 342 Cb 0.24 -0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.19 1a52 h MET 342 CO 0.05 0.14 -0.15 0.52 0.14 0.00 0.00 176.91 177.62 1a52 h MET 343 N -0.04 -0.04 0.00 0.39 2.86 -1.38 0.24 114.93 116.95 1a52 h MET 343 Ca 0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1a52 h MET 343 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1a52 h MET 343 CO -0.00 -0.03 -0.27 0.78 1.06 0.00 0.00 176.91 178.45 1a52 h GLY 344 N -0.04 0.00 0.65 8.32 0.00 -1.35 0.31 103.07 110.96 1a52 h GLY 344 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1a52 h GLY 344 CO -0.50 0.00 -0.21 -2.00 0.00 0.00 0.00 176.54 173.83 1a52 h LEU 345 N 0.00 -0.50 -1.01 3.11 5.85 -0.17 0.18 115.31 122.78 1a52 h LEU 345 Ca -0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1a52 h LEU 345 Cb 0.51 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1a52 h LEU 345 CO 0.04 -0.12 0.23 -0.07 -0.34 0.00 0.00 178.44 178.18 1a52 h LEU 346 N -0.94 0.87 -0.49 2.25 3.38 -0.55 -2.54 115.31 117.29 1a52 h LEU 346 Ca -0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1a52 h LEU 346 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1a52 h LEU 346 CO 0.10 0.79 0.17 0.74 0.09 0.00 0.00 178.44 180.33 1a52 h THR 347 N 0.93 1.22 -0.27 0.22 2.02 -0.29 -1.21 112.91 115.52 1a52 h THR 347 Ca 0.21 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1a52 h THR 347 Cb 0.21 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1a52 h THR 347 CO -0.02 0.27 -0.01 0.78 0.37 0.00 0.00 175.52 176.91 1a52 h ASN 348 N 0.66 0.48 -0.76 4.18 2.35 -0.47 -0.25 115.58 121.77 1a52 h ASN 348 Ca 0.16 -0.31 0.14 0.00 -0.55 0.00 0.00 56.30 55.74 1a52 h ASN 348 Cb 0.24 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.39 1a52 h ASN 348 CO -0.01 0.68 0.31 0.25 -1.65 0.00 0.00 177.43 177.01 1a52 h LEU 349 N 0.27 0.31 -0.00 1.61 5.85 -1.36 -0.32 115.31 121.67 1a52 h LEU 349 Ca 0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1a52 h LEU 349 Cb 0.43 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1a52 h LEU 349 CO 0.02 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 1a52 h ALA 350 N 1.54 0.00 -0.02 1.25 0.00 -0.92 -0.72 119.26 120.39 1a52 h ALA 350 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a52 h ALA 350 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a52 h ALA 350 CO -0.39 -0.35 0.03 -0.44 0.00 0.00 0.00 179.25 178.10 1a52 h ASP 351 N -0.29 0.00 0.11 0.00 3.32 -0.09 0.11 116.42 119.58 1a52 h ASP 351 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 1a52 h ASP 351 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1a52 h ASP 351 CO 0.00 0.00 -1.26 -0.09 -1.72 0.00 0.00 179.24 176.17 1a52 h ARG 352 N 0.00 0.24 0.00 3.56 2.43 -0.87 -3.23 114.38 116.51 1a52 h ARG 352 Ca 0.01 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1a52 h ARG 352 Cb 0.06 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1a52 h ARG 352 CO -0.00 1.20 -0.00 0.93 -1.51 0.00 0.00 179.97 180.59 1a52 h GLU 353 N -0.36 0.00 0.54 0.20 5.08 -0.39 -1.57 114.58 118.08 1a52 h GLU 353 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1a52 h GLU 353 Cb 1.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 1a52 h GLU 353 CO 0.07 0.00 -0.32 1.25 -1.00 0.00 0.00 179.01 179.01 1a52 h LEU 354 N 0.00 -0.79 -0.67 1.33 5.85 -0.87 0.19 115.31 120.35 1a52 h LEU 354 Ca -0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1a52 h LEU 354 Cb 0.00 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 1a52 h LEU 354 CO 0.00 -0.51 0.01 0.58 -0.34 0.00 0.00 178.44 178.18 1a52 h VAL 355 N -0.81 0.44 0.00 1.05 2.07 -1.30 0.43 116.25 118.13 1a52 h VAL 355 Ca -0.06 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1a52 h VAL 355 Cb 0.65 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1a52 h VAL 355 CO 0.07 0.02 -0.27 0.45 0.02 0.00 0.00 177.57 177.86 1a52 h HIS 356 N 0.12 0.00 -0.69 1.57 3.86 -1.26 -2.70 115.15 116.06 1a52 h HIS 356 Ca 0.36 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.49 1a52 h HIS 356 Cb 0.60 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 1a52 h HIS 356 CO -0.38 0.27 0.14 1.98 0.86 0.00 0.00 177.93 180.80 1a52 h MET 357 N 0.00 1.12 -0.57 2.45 -1.53 0.30 -0.82 114.93 115.88 1a52 h MET 357 Ca -0.00 -0.29 -0.01 0.00 -3.44 0.00 0.00 59.70 55.96 1a52 h MET 357 Cb 0.53 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 1a52 h MET 357 CO 0.04 1.01 0.32 0.82 0.14 0.00 0.00 176.91 179.24 1a52 h ILE 358 N 1.05 1.17 -0.29 1.77 1.08 -1.00 0.11 117.51 121.41 1a52 h ILE 358 Ca 0.21 -0.42 -0.14 0.00 -0.39 0.00 0.00 64.86 64.12 1a52 h ILE 358 Cb 0.41 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1a52 h ILE 358 CO 0.01 0.19 -0.39 0.78 -0.69 0.00 0.00 178.15 178.04 1a52 h ASN 359 N 0.79 0.73 0.38 1.72 -0.26 -1.33 -3.01 115.58 114.60 1a52 h ASN 359 Ca 0.20 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.60 1a52 h ASN 359 Cb 0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1a52 h ASN 359 CO -0.03 1.04 -0.18 -0.25 -1.06 0.00 0.00 177.43 176.94 1a52 h TRP 360 N 0.56 -0.47 -0.93 1.19 7.01 -0.58 -3.06 115.95 119.66 1a52 h TRP 360 Ca 0.05 -0.01 0.27 0.00 2.11 0.00 0.00 58.89 61.31 1a52 h TRP 360 Cb 0.92 0.16 -0.15 0.00 -2.10 0.00 0.00 29.16 27.99 1a52 h TRP 360 CO 0.04 -0.14 0.29 0.00 -2.79 0.00 0.00 178.44 175.84 1a52 h ALA 361 N -0.55 1.47 0.00 2.65 0.00 -0.84 1.16 119.26 123.15 1a52 h ALA 361 Ca -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1a52 h ALA 361 Cb 0.54 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a52 h ALA 361 CO 0.09 -0.55 -0.09 0.87 0.00 0.00 0.00 179.25 179.56 1a52 h LYS 362 N 0.17 0.00 -0.00 0.00 1.57 -1.50 -1.96 116.57 114.85 1a52 h LYS 362 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1a52 h LYS 362 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1a52 h LYS 362 CO -0.70 0.09 -0.18 0.54 -0.57 0.00 0.00 179.45 178.63 1a52 n ARG 363 N -4.02 0.05 -2.84 3.15 5.12 0.40 -4.62 116.66 113.90 1a52 n ARG 363 Ca -0.02 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.47 1a52 n ARG 363 Cb 0.18 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1a52 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a52 s VAL 364 N -2.96 4.86 -0.27 1.55 1.01 -0.74 -4.82 120.40 119.02 1a52 s VAL 364 Ca 0.14 1.84 -0.39 0.00 0.00 0.00 0.00 61.98 63.56 1a52 s VAL 364 Cb 0.19 -4.22 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 1a52 s VAL 364 CO 0.58 0.23 1.79 -2.65 0.00 0.00 0.00 175.10 175.05 1a52 n PRO 365 N 3.59 1.23 0.00 2.72 -0.02 -1.26 -1.11 135.00 140.15 1a52 n PRO 365 Ca 0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1a52 n PRO 365 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1a52 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a52 n GLY 366 N 4.40 3.11 0.11 -1.23 0.00 -1.26 -4.92 105.19 105.40 1a52 n GLY 366 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 1a52 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a52 h PHE 367 N 0.00 -0.13 0.00 1.61 3.57 -1.40 -2.21 116.94 118.38 1a52 h PHE 367 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1a52 h PHE 367 Cb 0.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1a52 h PHE 367 CO 0.00 -0.10 0.00 0.28 -2.23 0.00 0.00 178.31 176.26 1a52 n VAL 368 N -5.21 0.18 0.24 1.41 0.31 -1.26 -2.18 118.33 111.82 1a52 n VAL 368 Ca -0.02 0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.46 1a52 n VAL 368 Cb 0.14 -0.60 0.59 0.00 -0.91 0.00 0.00 33.84 33.06 1a52 n VAL 368 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1a52 h ASP 369 N 0.00 0.00 -4.37 4.52 3.32 -1.76 -3.44 116.42 114.68 1a52 h ASP 369 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1a52 h ASP 369 Cb 0.36 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.03 1a52 h ASP 369 CO 0.00 0.19 0.35 -0.76 -1.72 0.00 0.00 179.24 177.30 1a52 s LEU 370 N -7.13 2.38 0.32 1.55 1.43 -0.92 -5.04 118.68 111.25 1a52 s LEU 370 Ca -0.01 1.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.84 1a52 s LEU 370 Cb 0.12 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 1a52 s LEU 370 CO 0.62 -2.11 1.02 -0.89 0.23 0.00 0.00 176.35 175.22 1a52 s THR 371 N -3.33 3.81 0.15 5.49 2.01 -1.26 -4.88 115.64 117.63 1a52 s THR 371 Ca 0.62 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.94 1a52 s THR 371 Cb -0.13 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1a52 s THR 371 CO 0.52 0.23 1.56 0.25 -0.69 0.00 0.00 174.62 176.49 1a52 h LEU 372 N 3.32 -1.61 -0.72 4.42 5.85 -1.96 0.16 115.31 124.77 1a52 h LEU 372 Ca -0.47 0.24 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1a52 h LEU 372 Cb 1.21 0.70 -0.13 0.00 0.37 0.00 0.00 40.66 42.80 1a52 h LEU 372 CO 0.65 -0.37 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.35 1a52 h HIS 373 N -0.31 -0.77 -0.38 1.25 2.76 -1.99 0.15 115.15 115.86 1a52 h HIS 373 Ca 0.13 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1a52 h HIS 373 Cb 0.58 0.45 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 1a52 h HIS 373 CO -0.70 -0.37 0.14 -0.44 -1.30 0.00 0.00 177.93 175.26 1a52 h ASP 374 N -0.08 0.48 -0.43 3.26 5.19 -1.22 -0.42 116.42 123.20 1a52 h ASP 374 Ca 0.30 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1a52 h ASP 374 Cb 0.57 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1a52 h ASP 374 CO -0.77 0.45 0.01 1.56 -3.12 0.00 0.00 179.24 177.37 1a52 h GLN 375 N 0.53 0.76 -0.22 3.56 4.20 0.18 -0.03 115.11 124.09 1a52 h GLN 375 Ca 0.13 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1a52 h GLN 375 Cb 0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1a52 h GLN 375 CO -0.01 0.82 -0.23 0.28 -0.67 0.00 0.00 178.83 179.02 1a52 h VAL 376 N 0.60 1.25 -0.03 -0.54 2.07 -0.52 -1.06 116.25 118.02 1a52 h VAL 376 Ca 0.12 -1.18 -0.17 0.00 0.82 0.00 0.00 66.70 66.30 1a52 h VAL 376 Cb 0.47 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1a52 h VAL 376 CO 0.02 0.37 -0.72 -0.74 0.02 0.00 0.00 177.57 176.52 1a52 h HIS 377 N 0.37 0.24 -0.17 1.57 -0.00 -0.76 0.08 115.15 116.48 1a52 h HIS 377 Ca 0.06 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 1a52 h HIS 377 Cb 0.61 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1a52 h HIS 377 CO 0.02 0.84 -0.28 -0.07 -0.00 0.00 0.00 177.93 178.43 1a52 h LEU 378 N 0.12 0.54 -0.72 0.26 3.38 -0.63 -2.90 115.31 115.35 1a52 h LEU 378 Ca -0.02 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1a52 h LEU 378 Cb 1.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1a52 h LEU 378 CO 0.11 0.97 -0.19 -0.07 0.09 0.00 0.00 178.44 179.34 1a52 h LEU 379 N 0.13 0.00 0.00 1.67 3.38 -1.20 -2.53 115.31 116.76 1a52 h LEU 379 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a52 h LEU 379 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1a52 h LEU 379 CO 0.06 0.19 -0.25 1.21 0.09 0.00 0.00 178.44 179.75 1a52 n GLU 380 N -3.24 0.18 -0.01 1.13 2.13 0.01 -2.14 120.64 118.70 1a52 n GLU 380 Ca 0.01 0.10 0.08 0.00 0.66 0.00 0.00 57.16 58.02 1a52 n GLU 380 Cb 0.49 -1.67 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 1a52 n GLU 380 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a52 n ALA 382 N -2.19 2.79 -0.20 0.00 0.00 -0.96 -4.79 120.51 115.16 1a52 n ALA 382 Ca -0.05 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.12 1a52 n ALA 382 Cb 0.53 -0.25 0.10 0.00 0.00 0.00 0.00 19.45 19.84 1a52 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1a52 h TRP 383 N 0.37 -0.00 0.00 0.00 5.08 -1.68 -0.36 115.95 119.36 1a52 h TRP 383 Ca 0.00 0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.93 1a52 h TRP 383 Cb 0.20 0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 1a52 h TRP 383 CO 0.00 -0.15 -0.39 1.25 -1.28 0.00 0.00 178.44 177.88 1a52 h LEU 384 N 0.14 0.00 -0.10 0.11 5.85 -1.88 -0.93 115.31 118.50 1a52 h LEU 384 Ca 0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1a52 h LEU 384 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1a52 h LEU 384 CO -0.51 0.39 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.59 1a52 h GLU 385 N 0.00 0.21 -0.67 1.25 5.08 -1.51 -1.44 114.58 117.50 1a52 h GLU 385 Ca -0.00 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1a52 h GLU 385 Cb 0.81 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1a52 h GLU 385 CO 0.05 0.58 0.33 0.82 -1.00 0.00 0.00 179.01 179.79 1a52 h ILE 386 N -0.17 0.87 -0.28 3.13 2.04 -0.81 -0.08 117.51 122.22 1a52 h ILE 386 Ca 0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1a52 h ILE 386 Cb 0.52 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1a52 h ILE 386 CO 0.02 0.11 0.07 -0.07 0.00 0.00 0.00 178.15 178.28 1a52 h LEU 387 N 0.59 0.42 -1.03 1.44 3.38 -1.12 -2.68 115.31 116.29 1a52 h LEU 387 Ca 0.32 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1a52 h LEU 387 Cb 0.31 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1a52 h LEU 387 CO -0.25 0.53 0.64 0.24 0.09 0.00 0.00 178.44 179.69 1a52 h MET 388 N 0.28 1.05 -0.18 1.13 2.86 -0.16 -0.04 114.93 119.88 1a52 h MET 388 Ca 0.09 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1a52 h MET 388 Cb 0.27 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1a52 h MET 388 CO -0.00 0.70 -0.47 0.97 1.06 0.00 0.00 176.91 179.16 1a52 h ILE 389 N 1.09 1.32 0.26 -1.22 2.10 -0.92 -0.04 117.51 120.10 1a52 h ILE 389 Ca 0.45 -1.69 -0.01 0.00 1.08 0.00 0.00 64.86 64.69 1a52 h ILE 389 Cb 0.30 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1a52 h ILE 389 CO -0.20 0.52 -0.13 1.23 -1.08 0.00 0.00 178.15 178.49 1a52 h GLY 390 N 1.14 -0.37 0.16 8.18 0.00 -1.03 0.11 103.07 111.26 1a52 h GLY 390 Ca 0.02 0.14 0.15 0.00 0.00 0.00 0.00 47.33 47.64 1a52 h GLY 390 CO 0.09 -0.13 0.36 -2.00 0.00 0.00 0.00 176.54 174.85 1a52 h LEU 391 N -0.56 0.38 0.02 3.11 5.85 -0.87 -0.35 115.31 122.88 1a52 h LEU 391 Ca -0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1a52 h LEU 391 Cb 0.41 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1a52 h LEU 391 CO 0.06 0.14 -0.01 0.58 -0.34 0.00 0.00 178.44 178.87 1a52 h VAL 392 N 0.51 1.04 -0.20 1.05 2.07 -0.72 -1.41 116.25 118.59 1a52 h VAL 392 Ca 0.44 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1a52 h VAL 392 Cb 0.67 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1a52 h VAL 392 CO -0.40 0.05 -0.09 -0.25 0.02 0.00 0.00 177.57 176.90 1a52 h TRP 393 N -0.10 -0.21 -0.24 1.57 -0.00 0.63 -1.91 115.95 115.69 1a52 h TRP 393 Ca -0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1a52 h TRP 393 Cb 0.10 0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 1a52 h TRP 393 CO -0.05 -0.14 0.06 0.00 -0.00 0.00 0.00 178.44 178.31 1a52 h ARG 394 N -0.06 0.34 0.00 2.65 3.08 -1.04 -2.63 114.38 116.72 1a52 h ARG 394 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1a52 h ARG 394 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1a52 h ARG 394 CO -0.24 0.31 0.00 0.43 -1.07 0.00 0.00 179.97 179.40 1a52 n SER 395 N -4.40 0.00 0.20 7.04 7.64 -0.54 -4.11 113.62 119.44 1a52 n SER 395 Ca 0.01 -0.63 -0.15 0.00 1.01 0.00 0.00 58.87 59.11 1a52 n SER 395 Cb 0.15 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 1a52 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1a52 h MET 396 N 0.00 -0.44 0.00 1.43 2.86 -1.20 -2.51 114.93 115.06 1a52 h MET 396 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1a52 h MET 396 Cb 0.11 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1a52 h MET 396 CO 0.00 -0.23 0.01 0.39 1.06 0.00 0.00 176.91 178.14 1a52 n GLU 397 N -5.24 0.00 -3.22 1.72 -0.58 -1.26 -3.50 120.64 108.56 1a52 n GLU 397 Ca -0.10 0.45 -0.27 0.00 -0.42 0.00 0.00 57.16 56.82 1a52 n GLU 397 Cb 0.23 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 1a52 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1a52 n HIS 398 N -1.45 3.46 -1.51 -0.32 8.25 -0.94 -5.08 115.22 117.63 1a52 n HIS 398 Ca 0.00 -4.06 -0.57 0.00 -0.26 0.00 0.00 57.72 52.83 1a52 n HIS 398 Cb 0.01 -0.52 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 1a52 n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1a52 n PRO 399 N 0.46 0.22 -0.02 -0.41 -0.04 -1.23 -0.11 135.00 133.87 1a52 n PRO 399 Ca 0.30 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1a52 n PRO 399 Cb 0.42 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1a52 n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a52 n GLY 400 N 1.71 2.38 3.44 0.55 0.00 -1.26 -5.00 105.19 107.01 1a52 n GLY 400 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1a52 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a52 s LYS 401 N -0.19 1.67 -0.22 1.61 1.02 0.85 -3.17 119.74 121.30 1a52 s LYS 401 Ca 0.00 -1.94 0.02 0.00 0.02 0.00 0.00 55.97 54.06 1a52 s LYS 401 Cb 0.00 -0.73 0.05 0.00 -0.52 0.00 0.00 37.83 36.63 1a52 s LYS 401 CO 0.00 -0.26 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.54 1a52 s LEU 402 N -3.48 2.74 -1.25 3.17 1.43 0.64 -4.76 118.68 117.17 1a52 s LEU 402 Ca 0.34 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 1a52 s LEU 402 Cb 0.07 -1.41 0.12 0.00 0.03 0.00 0.00 46.19 45.00 1a52 s LEU 402 CO 0.15 -0.14 1.58 -0.22 0.23 0.00 0.00 176.35 177.95 1a52 s LEU 403 N 1.25 4.41 0.33 1.79 2.96 -1.26 -2.05 118.68 126.12 1a52 s LEU 403 Ca -0.03 -2.68 0.01 0.00 -0.22 0.00 0.00 54.13 51.21 1a52 s LEU 403 Cb -0.17 -2.49 0.58 0.00 0.50 0.00 0.00 46.19 44.61 1a52 s LEU 403 CO -0.08 -0.98 1.98 -0.26 -1.32 0.00 0.00 176.35 175.69 1a52 h PHE 404 N 7.45 0.89 -3.18 5.38 -1.00 -1.72 -3.43 116.94 121.33 1a52 h PHE 404 Ca 0.38 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.18 1a52 h PHE 404 Cb 0.88 -0.30 -0.09 0.00 3.61 0.00 0.00 35.95 40.04 1a52 h PHE 404 CO 1.27 0.54 0.11 0.00 -1.61 0.00 0.00 178.31 178.61 1a52 s ALA 405 N -5.80 -1.12 0.23 2.45 0.00 -0.83 -4.96 121.76 111.74 1a52 s ALA 405 Ca -0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 1a52 s ALA 405 Cb 0.18 0.87 0.39 0.00 0.00 0.00 0.00 23.12 24.56 1a52 s ALA 405 CO 0.78 -0.85 1.75 -1.35 0.00 0.00 0.00 175.76 176.08 1a52 h PRO 406 N 2.11 0.47 -0.47 0.00 0.11 -1.87 -0.97 132.00 131.38 1a52 h PRO 406 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1a52 h PRO 406 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1a52 h PRO 406 CO 0.34 0.31 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1a52 n ASN 407 N -4.96 2.51 -3.65 -2.05 0.23 -1.26 -4.69 115.26 101.39 1a52 n ASN 407 Ca 0.12 -2.03 -0.28 0.00 -0.53 0.00 0.00 54.58 51.86 1a52 n ASN 407 Cb 0.35 -0.32 -0.16 0.00 -2.08 0.00 0.00 39.78 37.57 1a52 n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1a52 s LEU 408 N -1.04 0.97 -0.46 -4.53 2.96 -0.37 -4.92 118.68 111.29 1a52 s LEU 408 Ca 0.30 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1a52 s LEU 408 Cb 0.16 -0.48 0.14 0.00 0.50 0.00 0.00 46.19 46.51 1a52 s LEU 408 CO 0.20 -0.38 0.25 -0.22 -1.32 0.00 0.00 176.35 174.89 1a52 s LEU 409 N 1.96 2.90 0.05 -0.68 2.96 -1.26 -1.93 118.68 122.67 1a52 s LEU 409 Ca 0.05 -2.72 -0.19 0.00 -0.22 0.00 0.00 54.13 51.05 1a52 s LEU 409 Cb -0.17 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.36 1a52 s LEU 409 CO -0.20 -0.25 0.54 -0.76 -1.32 0.00 0.00 176.35 174.36 1a52 s LEU 410 N 0.22 4.50 0.57 -0.68 1.02 -0.87 -4.84 118.68 118.60 1a52 s LEU 410 Ca 0.18 1.19 0.03 0.00 0.02 0.00 0.00 54.13 55.56 1a52 s LEU 410 Cb -0.23 -2.84 0.06 0.00 0.02 0.00 0.00 46.19 43.20 1a52 s LEU 410 CO -0.01 0.26 0.79 1.51 0.02 0.00 0.00 176.35 178.92 1a52 s ASP 411 N -0.96 5.09 0.00 2.29 1.47 -1.26 -0.26 116.67 123.04 1a52 s ASP 411 Ca 0.28 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.70 1a52 s ASP 411 Cb -0.19 -0.43 0.00 0.00 -0.34 0.00 0.00 42.92 41.97 1a52 s ASP 411 CO 0.18 -1.28 0.33 -1.14 0.68 0.00 0.00 175.17 173.93 1a52 n ARG 412 N -2.35 0.00 -0.21 2.11 0.63 -1.19 -2.62 116.66 113.03 1a52 n ARG 412 Ca 0.11 0.33 -0.03 0.00 -0.92 0.00 0.00 57.85 57.34 1a52 n ARG 412 Cb 0.60 -0.73 -0.01 0.00 0.45 0.00 0.00 32.46 32.76 1a52 n ARG 412 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a52 n ASN 413 N -0.73 -0.43 0.00 6.15 3.02 -1.26 0.56 115.26 122.57 1a52 n ASN 413 Ca 0.00 0.91 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 1a52 n ASN 413 Cb 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1a52 n ASN 413 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a52 n GLN 414 N -4.70 0.00 0.12 3.52 6.02 -1.08 0.15 117.38 121.41 1a52 n GLN 414 Ca 0.03 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 56.90 1a52 n GLN 414 Cb 0.17 -1.69 -0.16 0.00 1.02 0.00 0.00 30.24 29.59 1a52 n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1a52 h GLY 415 N 0.00 0.54 1.62 1.08 0.00 0.01 -3.16 103.07 103.16 1a52 h GLY 415 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 47.33 45.96 1a52 h GLY 415 CO 0.00 1.20 0.14 0.28 0.00 0.00 0.00 176.54 178.16 1a52 n LYS 416 N -3.85 0.11 0.00 4.80 5.02 0.40 -0.98 118.16 123.66 1a52 n LYS 416 Ca -0.16 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1a52 n LYS 416 Cb 1.02 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1a52 n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a52 s VAL 418 N -1.38 -0.02 0.28 0.00 1.01 -0.15 -2.88 120.40 117.27 1a52 s VAL 418 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1a52 s VAL 418 Cb 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 36.38 35.88 1a52 s VAL 418 CO 0.00 0.02 1.49 1.21 0.00 0.00 0.00 175.10 177.83 1a52 n GLU 419 N 3.45 2.38 -4.11 2.72 2.13 -1.26 -3.15 120.64 122.81 1a52 n GLU 419 Ca -0.18 0.85 -0.30 0.00 0.66 0.00 0.00 57.16 58.19 1a52 n GLU 419 Cb 0.56 -2.56 -0.08 0.00 0.27 0.00 0.00 31.44 29.63 1a52 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a52 n GLY 420 N 2.02 -0.18 0.04 8.31 0.00 -1.26 -4.81 105.19 109.31 1a52 n GLY 420 Ca 0.09 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1a52 n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a52 n MET 421 N -3.96 2.03 0.03 1.61 1.56 -1.19 -4.65 117.12 112.55 1a52 n MET 421 Ca -0.16 -1.56 -0.19 0.00 -0.27 0.00 0.00 57.70 55.51 1a52 n MET 421 Cb 0.54 -1.01 -0.12 0.00 2.15 0.00 0.00 33.22 34.78 1a52 n MET 421 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1a52 h VAL 422 N 0.82 1.42 -0.52 1.12 2.07 -1.81 -2.97 116.25 116.38 1a52 h VAL 422 Ca 0.00 -2.28 0.10 0.00 0.82 0.00 0.00 66.70 65.34 1a52 h VAL 422 Cb 0.73 2.77 -0.08 0.00 -1.52 0.00 0.00 31.29 33.19 1a52 h VAL 422 CO 0.00 0.66 0.04 -0.33 0.02 0.00 0.00 177.57 177.96 1a52 h GLU 423 N -0.09 0.16 0.00 1.57 3.07 -1.99 0.27 114.58 117.57 1a52 h GLU 423 Ca -0.12 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1a52 h GLU 423 Cb 1.52 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 1a52 h GLU 423 CO 0.15 0.10 -0.20 0.82 -1.40 0.00 0.00 179.01 178.48 1a52 h ILE 424 N 0.16 0.54 -0.03 3.13 2.04 -1.85 -2.74 117.51 118.76 1a52 h ILE 424 Ca 0.27 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1a52 h ILE 424 Cb 0.40 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1a52 h ILE 424 CO -0.40 0.20 -0.17 -0.26 0.00 0.00 0.00 178.15 177.52 1a52 h PHE 425 N 0.00 0.22 -0.61 1.37 -1.00 -0.61 -2.25 116.94 114.06 1a52 h PHE 425 Ca -0.00 -0.10 0.08 0.00 2.81 0.00 0.00 57.97 60.76 1a52 h PHE 425 Cb 0.67 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.14 1a52 h PHE 425 CO 0.00 0.82 0.27 -0.44 -1.61 0.00 0.00 178.31 177.35 1a52 h ASP 426 N -0.45 0.32 -0.20 2.17 3.32 -0.48 0.82 116.42 121.92 1a52 h ASP 426 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1a52 h ASP 426 Cb 0.85 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1a52 h ASP 426 CO 0.03 0.20 0.13 0.24 -1.72 0.00 0.00 179.24 178.12 1a52 h MET 427 N 0.48 0.26 -0.83 3.56 2.86 -1.53 0.74 114.93 120.47 1a52 h MET 427 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1a52 h MET 427 Cb 0.32 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1a52 h MET 427 CO -0.26 0.19 0.43 -0.07 1.06 0.00 0.00 176.91 178.25 1a52 h LEU 428 N 0.25 1.05 -0.07 1.22 3.38 -0.59 0.20 115.31 120.75 1a52 h LEU 428 Ca 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a52 h LEU 428 Cb -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1a52 h LEU 428 CO -0.01 0.87 0.03 -0.07 0.09 0.00 0.00 178.44 179.34 1a52 h LEU 429 N 1.16 0.10 -0.54 1.67 3.38 0.15 -1.15 115.31 120.08 1a52 h LEU 429 Ca 0.29 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1a52 h LEU 429 Cb 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1a52 h LEU 429 CO -0.04 0.22 0.12 0.00 0.09 0.00 0.00 178.44 178.83 1a52 h ALA 430 N 0.88 0.63 -0.21 1.53 0.00 0.94 0.23 119.26 123.26 1a52 h ALA 430 Ca 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a52 h ALA 430 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a52 h ALA 430 CO -0.00 -0.30 0.13 1.15 0.00 0.00 0.00 179.25 180.23 1a52 h THR 431 N 0.26 1.08 -0.61 0.00 2.02 -0.34 0.50 112.91 115.82 1a52 h THR 431 Ca 0.28 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1a52 h THR 431 Cb 0.39 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1a52 h THR 431 CO -0.35 0.08 0.40 -1.28 0.37 0.00 0.00 175.52 174.73 1a52 h SER 432 N 0.27 0.71 -0.79 4.18 0.87 -0.57 -0.81 113.55 117.40 1a52 h SER 432 Ca 0.08 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1a52 h SER 432 Cb 0.01 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.72 1a52 h SER 432 CO -0.02 0.53 0.45 -1.28 -0.53 0.00 0.00 176.83 175.98 1a52 h SER 433 N 0.83 0.66 0.01 6.23 0.87 0.15 -1.17 113.55 121.12 1a52 h SER 433 Ca 0.22 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1a52 h SER 433 Cb -0.08 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1a52 h SER 433 CO -0.05 0.39 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.55 1a52 h ARG 434 N 0.78 -0.02 -0.94 2.24 9.65 0.17 -1.31 114.38 124.95 1a52 h ARG 434 Ca 0.37 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.45 1a52 h ARG 434 Cb 0.31 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.81 1a52 h ARG 434 CO -0.23 0.18 0.60 0.74 2.80 0.00 0.00 179.97 184.07 1a52 h PHE 435 N -0.21 0.75 0.12 2.20 0.04 -0.64 -0.62 116.94 118.59 1a52 h PHE 435 Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1a52 h PHE 435 Cb 0.21 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1a52 h PHE 435 CO -0.01 0.20 -0.06 -0.09 -0.60 0.00 0.00 178.31 177.75 1a52 h ARG 436 N 0.57 -0.16 0.00 1.51 2.43 -0.81 -0.71 114.38 117.21 1a52 h ARG 436 Ca 0.50 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1a52 h ARG 436 Cb 1.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1a52 h ARG 436 CO -0.24 0.16 0.00 -0.12 -1.51 0.00 0.00 179.97 178.25 1a52 n MET 437 N -5.02 0.15 -0.06 0.20 1.56 -0.33 0.14 117.12 113.76 1a52 n MET 437 Ca -0.09 0.63 0.07 0.00 -0.27 0.00 0.00 57.70 58.04 1a52 n MET 437 Cb 0.21 -1.97 0.10 0.00 2.15 0.00 0.00 33.22 33.70 1a52 n MET 437 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1a52 n MET 438 N -2.29 1.47 -3.75 2.12 2.81 -0.63 -4.99 117.12 111.86 1a52 n MET 438 Ca -0.01 -1.58 -0.33 0.00 -1.81 0.00 0.00 57.70 53.97 1a52 n MET 438 Cb 0.05 -1.29 0.03 0.00 -0.71 0.00 0.00 33.22 31.30 1a52 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1a52 n ASN 439 N 0.80 -5.17 -4.74 7.83 4.05 0.12 -4.83 115.26 113.33 1a52 n ASN 439 Ca 0.10 -1.04 -0.41 0.00 0.45 0.00 0.00 54.58 53.68 1a52 n ASN 439 Cb 0.39 -2.97 -0.02 0.00 1.23 0.00 0.00 39.78 38.41 1a52 n ASN 439 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1a52 s LEU 440 N -6.47 4.37 0.36 1.20 2.96 -0.35 -5.00 118.68 115.76 1a52 s LEU 440 Ca 0.43 2.73 -0.01 0.00 -0.22 0.00 0.00 54.13 57.06 1a52 s LEU 440 Cb -0.17 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1a52 s LEU 440 CO 0.88 -0.77 0.58 -1.10 -1.32 0.00 0.00 176.35 174.63 1a52 s GLN 441 N -0.23 3.50 0.20 1.98 -1.52 -1.26 -4.94 119.66 117.39 1a52 s GLN 441 Ca 0.62 -0.24 -0.09 0.00 -1.95 0.00 0.00 55.36 53.70 1a52 s GLN 441 Cb -0.44 -2.62 0.12 0.00 -0.22 0.00 0.00 33.01 29.85 1a52 s GLN 441 CO 0.43 0.10 1.72 0.78 -0.25 0.00 0.00 175.29 178.08 1a52 h GLY 442 N 0.74 1.22 0.77 3.09 0.00 -1.98 0.23 103.07 107.13 1a52 h GLY 442 Ca -0.49 -0.75 0.05 0.00 0.00 0.00 0.00 47.33 46.13 1a52 h GLY 442 CO 0.62 0.70 0.41 0.83 0.00 0.00 0.00 176.54 179.10 1a52 h GLU 443 N 1.08 0.76 -0.42 4.80 3.07 -1.98 -1.06 114.58 120.82 1a52 h GLU 443 Ca 0.23 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1a52 h GLU 443 Cb 0.35 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1a52 h GLU 443 CO -0.00 0.50 0.19 0.93 -1.40 0.00 0.00 179.01 179.23 1a52 h GLU 444 N 0.78 0.62 -0.28 2.33 5.08 -1.76 -3.07 114.58 118.28 1a52 h GLU 444 Ca 0.30 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1a52 h GLU 444 Cb 0.11 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1a52 h GLU 444 CO -0.15 0.55 -0.07 0.35 -1.00 0.00 0.00 179.01 178.69 1a52 h PHE 445 N 0.54 -0.15 0.00 4.33 3.57 0.40 -2.31 116.94 123.32 1a52 h PHE 445 Ca 0.14 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1a52 h PHE 445 Cb 0.15 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1a52 h PHE 445 CO -0.01 -0.12 -0.30 -0.39 -2.23 0.00 0.00 178.31 175.26 1a52 h VAL 446 N 0.00 1.17 0.12 1.41 -1.51 -1.22 -1.58 116.25 114.63 1a52 h VAL 446 Ca 0.13 -1.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.55 1a52 h VAL 446 Cb 0.21 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1a52 h VAL 446 CO -0.29 0.29 -0.06 0.00 -1.23 0.00 0.00 177.57 176.29 1a52 h LEU 448 N -0.31 0.94 -0.24 0.00 3.38 -1.06 -0.43 115.31 117.59 1a52 h LEU 448 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a52 h LEU 448 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a52 h LEU 448 CO 0.03 0.62 0.13 0.50 0.09 0.00 0.00 178.44 179.81 1a52 h LYS 449 N 1.09 0.33 0.00 1.13 3.64 -1.18 -0.90 116.57 120.68 1a52 h LYS 449 Ca 0.37 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1a52 h LYS 449 Cb 0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1a52 h LYS 449 CO -0.14 0.30 -0.28 0.77 -2.27 0.00 0.00 179.45 177.83 1a52 h SER 450 N 0.28 0.00 -0.07 4.20 0.02 -1.10 -2.00 113.55 114.88 1a52 h SER 450 Ca 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1a52 h SER 450 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1a52 h SER 450 CO -0.01 0.28 -0.01 0.40 -1.14 0.00 0.00 176.83 176.35 1a52 h ILE 451 N 0.00 1.26 -0.88 3.27 2.04 -0.52 -2.10 117.51 120.59 1a52 h ILE 451 Ca -0.00 -0.83 0.12 0.00 1.00 0.00 0.00 64.86 65.15 1a52 h ILE 451 Cb 0.51 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 1a52 h ILE 451 CO 0.04 0.23 0.57 0.40 0.00 0.00 0.00 178.15 179.38 1a52 h ILE 452 N -0.17 0.89 0.82 -0.67 2.04 -0.69 0.71 117.51 120.44 1a52 h ILE 452 Ca 0.02 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1a52 h ILE 452 Cb 0.37 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1a52 h ILE 452 CO 0.00 0.14 -0.39 0.25 0.00 0.00 0.00 178.15 178.15 1a52 h LEU 453 N 0.76 -0.93 -1.55 1.44 5.85 -1.21 -2.61 115.31 117.07 1a52 h LEU 453 Ca 0.43 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1a52 h LEU 453 Cb 0.58 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1a52 h LEU 453 CO -0.19 -0.59 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.03 1a52 h LEU 454 N -1.26 0.00 0.00 2.25 3.38 -0.78 -3.35 115.31 115.55 1a52 h LEU 454 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1a52 h LEU 454 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1a52 h LEU 454 CO 0.18 0.23 -2.04 -3.20 0.09 0.00 0.00 178.44 173.70 1a52 n ASN 455 N -3.82 0.37 0.00 -0.43 2.85 0.24 -4.40 115.26 110.08 1a52 n ASN 455 Ca -0.02 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.58 1a52 n ASN 455 Cb 0.32 1.62 0.54 0.00 1.24 0.00 0.00 39.78 43.50 1a52 n ASN 455 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1a52 n SER 456 N -2.36 0.00 -0.00 1.20 7.64 -0.99 -3.50 113.62 115.61 1a52 n SER 456 Ca -0.12 0.47 0.06 0.00 1.01 0.00 0.00 58.87 60.29 1a52 n SER 456 Cb 0.72 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1a52 n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a52 n GLY 457 N 1.08 -0.31 0.22 0.23 0.00 -1.26 -4.73 105.19 100.42 1a52 n GLY 457 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.73 1a52 n GLY 457 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1a52 h VAL 458 N 0.00 1.20 0.00 1.61 -1.51 -1.76 -2.84 116.25 112.95 1a52 h VAL 458 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 1a52 h VAL 458 Cb 0.35 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1a52 h VAL 458 CO 0.00 0.28 0.00 1.88 -1.23 0.00 0.00 177.57 178.50 1a52 h TYR 459 N 0.15 0.00 -0.98 5.19 0.05 -1.85 -3.14 116.97 116.39 1a52 h TYR 459 Ca 0.03 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.16 1a52 h TYR 459 Cb 0.46 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 37.90 1a52 h TYR 459 CO 0.00 0.00 0.75 0.25 -1.05 0.00 0.00 178.16 178.11 1a52 n THR 460 N -3.00 3.51 -4.29 -2.88 -2.24 -1.07 -4.93 114.28 99.39 1a52 n THR 460 Ca 0.03 -2.87 -0.35 0.00 -2.27 0.00 0.00 64.05 58.59 1a52 n THR 460 Cb 0.43 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 1a52 n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1a52 s PHE 461 N -3.74 3.18 -1.07 4.78 0.40 -1.19 -5.02 117.98 115.32 1a52 s PHE 461 Ca 0.63 0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.85 1a52 s PHE 461 Cb 0.50 -1.87 0.04 0.00 0.51 0.00 0.00 43.02 42.20 1a52 s PHE 461 CO 0.01 0.35 1.58 -1.17 0.70 0.00 0.00 175.22 176.69 1a52 s LEU 462 N -0.48 3.52 -1.22 -0.37 2.96 -1.26 -4.83 118.68 117.00 1a52 s LEU 462 Ca 0.09 -1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 52.34 1a52 s LEU 462 Cb -0.12 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.89 1a52 s LEU 462 CO 0.02 -1.63 2.92 -1.54 -1.32 0.00 0.00 176.35 174.79 1a52 n SER 463 N 9.55 7.47 -0.01 3.68 3.41 -1.26 -4.36 113.62 132.10 1a52 n SER 463 Ca 0.37 -2.50 0.09 0.00 -0.26 0.00 0.00 58.87 56.58 1a52 n SER 463 Cb 0.49 -1.44 -0.14 0.00 -0.26 0.00 0.00 64.21 62.86 1a52 n SER 463 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a52 n SER 464 N 3.48 0.79 -4.46 4.04 3.41 -1.26 -4.91 113.62 114.70 1a52 n SER 464 Ca 0.66 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.92 1a52 n SER 464 Cb 0.33 1.75 -0.10 0.00 -0.26 0.00 0.00 64.21 65.92 1a52 n SER 464 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a52 s THR 465 N -3.22 2.47 0.35 6.66 -4.23 -1.26 -5.06 115.64 111.35 1a52 s THR 465 Ca -0.05 -2.30 0.07 0.00 -1.18 0.00 0.00 61.69 58.22 1a52 s THR 465 Cb 0.12 -2.27 0.31 0.00 1.34 0.00 0.00 72.50 72.00 1a52 s THR 465 CO 0.76 -0.33 1.89 0.25 -0.54 0.00 0.00 174.62 176.66 1a52 h LEU 466 N 2.49 0.71 -0.76 4.79 5.85 -1.98 -1.49 115.31 124.92 1a52 h LEU 466 Ca -0.42 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1a52 h LEU 466 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1a52 h LEU 466 CO 0.57 0.40 -0.58 0.50 -0.34 0.00 0.00 178.44 178.98 1a52 h LYS 467 N 0.77 0.11 -0.49 1.25 3.64 -1.99 -2.62 116.57 117.24 1a52 h LYS 467 Ca 0.41 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1a52 h LYS 467 Cb 0.53 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1a52 h LYS 467 CO -0.18 0.67 -0.09 1.03 -2.27 0.00 0.00 179.45 178.61 1a52 h SER 468 N 0.09 0.88 0.13 4.20 0.87 -1.62 -1.10 113.55 117.00 1a52 h SER 468 Ca -0.00 -0.26 -0.29 0.00 -1.23 0.00 0.00 61.79 60.01 1a52 h SER 468 Cb 1.06 -0.24 0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1a52 h SER 468 CO 0.08 0.99 -1.19 -0.07 -0.53 0.00 0.00 176.83 176.11 1a52 h LEU 469 N 0.80 0.83 -1.61 2.23 4.07 -1.47 -1.67 115.31 118.49 1a52 h LEU 469 Ca 0.14 -0.84 -0.04 0.00 0.08 0.00 0.00 57.88 57.21 1a52 h LEU 469 Cb 0.60 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1a52 h LEU 469 CO 0.04 1.59 -0.21 -0.33 -1.08 0.00 0.00 178.44 178.44 1a52 h GLU 470 N 0.19 0.00 -0.23 1.13 5.08 -1.50 0.19 114.58 119.43 1a52 h GLU 470 Ca -0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1a52 h GLU 470 Cb 1.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1a52 h GLU 470 CO 0.23 0.21 0.04 1.49 -1.00 0.00 0.00 179.01 179.98 1a52 h GLU 471 N 0.00 0.39 -0.36 2.33 4.57 -1.07 -2.53 114.58 117.90 1a52 h GLU 471 Ca -0.00 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1a52 h GLU 471 Cb 0.46 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1a52 h GLU 471 CO 0.03 0.52 -0.10 0.87 -1.18 0.00 0.00 179.01 179.15 1a52 h LYS 472 N 0.19 0.62 -0.43 1.92 1.57 -0.24 -2.63 116.57 117.58 1a52 h LYS 472 Ca 0.07 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1a52 h LYS 472 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1a52 h LYS 472 CO 0.00 0.71 0.14 -0.44 -0.57 0.00 0.00 179.45 179.30 1a52 h ASP 473 N 0.57 0.62 -0.54 0.86 3.32 -0.86 -1.39 116.42 119.00 1a52 h ASP 473 Ca 0.11 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1a52 h ASP 473 Cb 0.51 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1a52 h ASP 473 CO 0.03 0.66 0.25 -0.74 -1.72 0.00 0.00 179.24 177.72 1a52 h HIS 474 N 0.55 0.45 -0.30 4.55 2.76 -1.34 0.11 115.15 121.93 1a52 h HIS 474 Ca 0.14 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1a52 h HIS 474 Cb 0.25 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1a52 h HIS 474 CO 0.01 0.19 0.12 0.82 -1.30 0.00 0.00 177.93 177.77 1a52 h ILE 475 N 0.48 0.94 0.00 6.26 2.04 -1.07 -2.03 117.51 124.12 1a52 h ILE 475 Ca 0.25 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1a52 h ILE 475 Cb 0.21 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1a52 h ILE 475 CO -0.20 0.05 -0.15 0.45 0.00 0.00 0.00 178.15 178.30 1a52 h HIS 476 N 0.26 0.00 -0.06 1.37 3.86 -0.52 -1.62 115.15 118.44 1a52 h HIS 476 Ca 0.13 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.10 1a52 h HIS 476 Cb 0.09 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.58 1a52 h HIS 476 CO -0.13 0.15 -0.93 0.00 0.86 0.00 0.00 177.93 177.88 1a52 h ARG 477 N 0.00 0.72 -0.11 2.45 3.08 -0.46 -0.85 114.38 119.21 1a52 h ARG 477 Ca -0.00 -0.69 -0.01 0.00 0.07 0.00 0.00 59.98 59.35 1a52 h ARG 477 Cb 0.54 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1a52 h ARG 477 CO 0.02 1.28 0.04 0.28 -1.07 0.00 0.00 179.97 180.52 1a52 h VAL 478 N 0.44 1.17 -0.67 2.04 2.07 -1.12 -0.20 116.25 119.98 1a52 h VAL 478 Ca -0.10 -0.51 0.13 0.00 0.82 0.00 0.00 66.70 67.05 1a52 h VAL 478 Cb 1.58 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 1a52 h VAL 478 CO 0.19 0.15 0.17 -0.07 0.02 0.00 0.00 177.57 178.03 1a52 h LEU 479 N -0.01 0.06 -0.72 2.57 3.38 -1.25 0.34 115.31 119.68 1a52 h LEU 479 Ca 0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1a52 h LEU 479 Cb 0.20 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1a52 h LEU 479 CO -0.00 0.01 0.42 0.44 0.09 0.00 0.00 178.44 179.40 1a52 h ASP 480 N 0.30 0.87 -0.64 -0.43 3.32 -0.77 -0.65 116.42 118.43 1a52 h ASP 480 Ca 0.36 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.37 1a52 h ASP 480 Cb 0.56 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1a52 h ASP 480 CO -0.43 0.69 0.42 0.50 -1.72 0.00 0.00 179.24 178.70 1a52 h LYS 481 N 0.98 0.73 -0.02 3.56 1.63 0.12 0.24 116.57 123.82 1a52 h LYS 481 Ca 0.25 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.84 1a52 h LYS 481 Cb -0.00 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1a52 h LYS 481 CO -0.05 0.49 -0.75 0.82 -3.45 0.00 0.00 179.45 176.51 1a52 h ILE 482 N 0.76 1.47 -0.23 2.00 2.04 0.17 -2.13 117.51 121.59 1a52 h ILE 482 Ca 0.26 -2.39 -0.06 0.00 1.00 0.00 0.00 64.86 63.66 1a52 h ILE 482 Cb 0.08 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1a52 h ILE 482 CO -0.07 0.69 -0.09 0.74 0.00 0.00 0.00 178.15 179.42 1a52 h THR 483 N 0.09 1.30 -0.61 -0.27 2.02 0.44 -0.73 112.91 115.16 1a52 h THR 483 Ca -0.02 -1.14 0.11 0.00 0.77 0.00 0.00 66.41 66.12 1a52 h THR 483 Cb 1.32 1.56 -0.08 0.00 -1.74 0.00 0.00 68.15 69.21 1a52 h THR 483 CO 0.11 0.35 0.18 0.44 0.37 0.00 0.00 175.52 176.97 1a52 h ASP 484 N 0.19 0.11 -0.10 4.18 3.32 -0.52 -0.64 116.42 122.95 1a52 h ASP 484 Ca 0.05 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1a52 h ASP 484 Cb 0.58 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1a52 h ASP 484 CO 0.03 0.06 0.07 0.74 -1.72 0.00 0.00 179.24 178.42 1a52 h THR 485 N 0.32 1.03 -0.42 0.35 2.02 -1.08 -0.92 112.91 114.22 1a52 h THR 485 Ca 0.31 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.51 1a52 h THR 485 Cb 0.44 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 1a52 h THR 485 CO -0.36 0.03 0.05 -0.07 0.37 0.00 0.00 175.52 175.54 1a52 h LEU 486 N 0.14 -0.06 -0.81 2.58 3.38 -0.24 -0.53 115.31 119.76 1a52 h LEU 486 Ca 0.04 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1a52 h LEU 486 Cb -0.01 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1a52 h LEU 486 CO -0.01 0.00 0.54 0.40 0.09 0.00 0.00 178.44 179.46 1a52 h ILE 487 N 0.17 1.21 -0.14 1.22 1.08 -0.86 -2.02 117.51 118.17 1a52 h ILE 487 Ca 0.20 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1a52 h ILE 487 Cb 0.27 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1a52 h ILE 487 CO -0.30 0.20 0.08 -0.74 -0.69 0.00 0.00 178.15 176.70 1a52 h HIS 488 N 1.10 0.15 -0.90 1.37 2.76 -0.46 0.18 115.15 119.33 1a52 h HIS 488 Ca 0.30 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.58 1a52 h HIS 488 Cb -0.13 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 28.72 1a52 h HIS 488 CO -0.02 0.09 0.58 -0.07 -1.30 0.00 0.00 177.93 177.21 1a52 h LEU 489 N 0.17 0.78 -0.07 0.26 3.38 -0.70 0.17 115.31 119.29 1a52 h LEU 489 Ca 0.06 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1a52 h LEU 489 Cb -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1a52 h LEU 489 CO -0.03 0.43 -0.86 0.24 0.09 0.00 0.00 178.44 178.31 1a52 h MET 490 N 0.85 0.00 0.31 1.13 2.86 -0.70 -1.53 114.93 117.84 1a52 h MET 490 Ca 0.43 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 1a52 h MET 490 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1a52 h MET 490 CO -0.20 0.86 -0.15 0.00 1.06 0.00 0.00 176.91 178.49 1a52 h ALA 491 N 1.14 -0.42 -0.45 6.32 0.00 0.48 -1.93 119.26 124.40 1a52 h ALA 491 Ca -0.01 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1a52 h ALA 491 Cb 1.63 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1a52 h ALA 491 CO 0.11 -0.59 -0.12 -0.22 0.00 0.00 0.00 179.25 178.44 1a52 h LYS 492 N -0.71 -0.00 0.00 0.00 3.64 -0.74 0.70 116.57 119.45 1a52 h LYS 492 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1a52 h LYS 492 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1a52 h LYS 492 CO 0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 1a52 n ALA 493 N -2.80 1.06 -0.43 5.00 0.00 -0.58 -4.83 120.51 117.93 1a52 n ALA 493 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1a52 n ALA 493 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1a52 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a52 n GLY 494 N -1.36 0.75 3.82 0.00 0.00 0.24 -5.07 105.19 103.57 1a52 n GLY 494 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1a52 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a52 s LEU 495 N 0.00 3.57 0.99 0.99 1.02 -0.75 -5.03 118.68 119.48 1a52 s LEU 495 Ca 0.00 1.69 -0.13 0.00 0.02 0.00 0.00 54.13 55.70 1a52 s LEU 495 Cb 0.00 -4.52 0.19 0.00 0.02 0.00 0.00 46.19 41.87 1a52 s LEU 495 CO 0.00 -0.85 1.12 0.42 0.02 0.00 0.00 176.35 177.06 1a52 s THR 496 N -2.53 1.96 0.44 5.49 -4.23 -1.26 -4.70 115.64 110.80 1a52 s THR 496 Ca 0.61 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1a52 s THR 496 Cb -0.13 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.31 1a52 s THR 496 CO 0.33 0.00 2.01 -0.07 -0.54 0.00 0.00 174.62 176.36 1a52 h LEU 497 N -1.84 0.09 0.13 4.79 3.38 -1.98 0.33 115.31 120.20 1a52 h LEU 497 Ca -0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1a52 h LEU 497 Cb 1.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1a52 h LEU 497 CO 0.56 0.21 -0.06 -0.61 0.09 0.00 0.00 178.44 178.63 1a52 h GLN 498 N 0.10 -0.16 -0.68 1.13 4.15 -2.00 -2.21 115.11 115.43 1a52 h GLN 498 Ca 0.02 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.55 1a52 h GLN 498 Cb 0.24 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1a52 h GLN 498 CO 0.01 0.22 0.45 1.96 -1.93 0.00 0.00 178.83 179.54 1a52 h GLN 499 N -0.58 0.53 0.33 1.69 4.20 -1.86 -0.74 115.11 118.68 1a52 h GLN 499 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1a52 h GLN 499 Cb 0.46 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a52 h GLN 499 CO 0.03 0.35 -0.28 1.96 -0.67 0.00 0.00 178.83 180.22 1a52 h GLN 500 N 0.54 -0.57 -0.45 1.46 4.20 -0.63 0.19 115.11 119.86 1a52 h GLN 500 Ca 0.31 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1a52 h GLN 500 Cb 0.49 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1a52 h GLN 500 CO -0.10 -0.38 0.25 1.12 -0.67 0.00 0.00 178.83 179.05 1a52 h HIS 501 N -0.59 0.59 -0.40 2.96 2.07 -1.05 -0.44 115.15 118.29 1a52 h HIS 501 Ca -0.04 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.42 1a52 h HIS 501 Cb 0.50 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 1a52 h HIS 501 CO -0.12 0.41 0.02 0.93 -3.07 0.00 0.00 177.93 176.10 1a52 h GLU 502 N 0.62 0.62 0.01 5.12 5.08 -0.94 -1.50 114.58 123.60 1a52 h GLU 502 Ca 0.16 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1a52 h GLU 502 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1a52 h GLU 502 CO -0.03 0.63 -1.16 -0.09 -1.00 0.00 0.00 179.01 177.37 1a52 h ARG 503 N 0.60 0.02 -0.65 2.33 2.43 0.30 -2.48 114.38 116.93 1a52 h ARG 503 Ca 0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1a52 h ARG 503 Cb 0.34 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1a52 h ARG 503 CO 0.01 0.92 0.10 1.25 -1.51 0.00 0.00 179.97 180.74 1a52 h LEU 504 N 0.01 1.03 -0.31 3.80 5.85 -0.88 -2.16 115.31 122.64 1a52 h LEU 504 Ca -0.07 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1a52 h LEU 504 Cb 1.83 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1a52 h LEU 504 CO 0.13 1.02 0.07 0.00 -0.34 0.00 0.00 178.44 179.32 1a52 h ALA 505 N 1.09 0.41 -0.72 1.25 0.00 -1.25 -1.49 119.26 118.55 1a52 h ALA 505 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a52 h ALA 505 Cb 0.44 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a52 h ALA 505 CO 0.01 0.08 0.40 1.96 0.00 0.00 0.00 179.25 181.70 1a52 h GLN 506 N 0.34 1.01 -0.08 0.00 4.20 -1.33 0.94 115.11 120.19 1a52 h GLN 506 Ca 0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1a52 h GLN 506 Cb 0.30 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1a52 h GLN 506 CO 0.00 0.75 0.04 -0.07 -0.67 0.00 0.00 178.83 178.88 1a52 h LEU 507 N 0.99 0.11 -0.56 1.46 3.38 -1.32 -2.69 115.31 116.68 1a52 h LEU 507 Ca 0.25 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1a52 h LEU 507 Cb 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1a52 h LEU 507 CO -0.04 0.17 -0.03 -0.07 0.09 0.00 0.00 178.44 178.56 1a52 h LEU 508 N 0.04 0.99 -2.50 1.67 3.38 -0.96 -2.45 115.31 115.48 1a52 h LEU 508 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1a52 h LEU 508 Cb 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1a52 h LEU 508 CO -0.00 1.07 -0.01 -0.07 0.09 0.00 0.00 178.44 179.51 1a52 h LEU 509 N 0.88 0.00 -0.07 1.67 3.38 -0.72 -0.70 115.31 119.75 1a52 h LEU 509 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.89 1a52 h LEU 509 Cb 0.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1a52 h LEU 509 CO 0.03 0.01 -0.88 0.40 0.09 0.00 0.00 178.44 178.10 1a52 h ILE 510 N 0.00 1.29 -0.88 1.22 2.04 -1.10 -2.86 117.51 117.23 1a52 h ILE 510 Ca -0.00 -2.10 0.25 0.00 1.00 0.00 0.00 64.86 64.02 1a52 h ILE 510 Cb 0.15 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1a52 h ILE 510 CO 0.00 0.65 0.73 -0.07 0.00 0.00 0.00 178.15 179.46 1a52 h LEU 511 N 0.41 0.00 0.44 1.44 3.38 -1.03 0.45 115.31 120.39 1a52 h LEU 511 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a52 h LEU 511 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1a52 h LEU 511 CO 0.18 0.00 -0.21 -1.28 0.09 0.00 0.00 178.44 177.22 1a52 h SER 512 N 0.00 -0.50 -0.46 -0.43 0.87 -1.48 -1.26 113.55 110.28 1a52 h SER 512 Ca 0.42 -0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.95 1a52 h SER 512 Cb 1.86 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.93 1a52 h SER 512 CO -0.00 -0.17 0.31 -0.74 -0.53 0.00 0.00 176.83 175.70 1a52 h HIS 513 N -0.86 0.36 -0.50 2.24 -0.00 -0.25 0.17 115.15 116.32 1a52 h HIS 513 Ca -0.06 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.26 1a52 h HIS 513 Cb 0.56 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 1a52 h HIS 513 CO 0.01 0.20 0.08 0.82 -0.00 0.00 0.00 177.93 179.03 1a52 h ILE 514 N 0.36 1.25 -0.90 6.26 2.04 -0.87 -0.63 117.51 125.03 1a52 h ILE 514 Ca 0.20 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1a52 h ILE 514 Cb 0.34 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1a52 h ILE 514 CO -0.05 0.33 0.58 -0.09 0.00 0.00 0.00 178.15 178.93 1a52 h ARG 515 N 0.70 1.00 0.16 2.37 9.65 0.22 -0.74 114.38 127.75 1a52 h ARG 515 Ca 0.15 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1a52 h ARG 515 Cb 0.40 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1a52 h ARG 515 CO 0.01 0.66 -0.08 1.25 2.80 0.00 0.00 179.97 184.61 1a52 h HIS 516 N 1.03 -0.20 -0.99 2.20 2.76 -0.79 -1.35 115.15 117.80 1a52 h HIS 516 Ca 0.38 -0.00 0.34 0.00 -2.20 0.00 0.00 60.37 58.89 1a52 h HIS 516 Cb 0.18 0.07 -0.16 0.00 1.55 0.00 0.00 27.41 29.05 1a52 h HIS 516 CO -0.00 -0.13 0.51 0.52 -1.30 0.00 0.00 177.93 177.53 1a52 h MET 517 N -0.22 0.21 0.08 5.26 2.86 -0.83 0.61 114.93 122.89 1a52 h MET 517 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1a52 h MET 517 Cb 0.17 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1a52 h MET 517 CO 0.04 0.14 -0.20 1.03 1.06 0.00 0.00 176.91 178.97 1a52 h SER 518 N 0.21 -0.58 -0.82 1.22 0.87 -0.79 0.52 113.55 114.18 1a52 h SER 518 Ca 0.75 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 61.37 1a52 h SER 518 Cb 1.77 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 63.91 1a52 h SER 518 CO -0.67 -0.28 0.48 0.78 -0.53 0.00 0.00 176.83 176.61 1a52 h ASN 519 N -0.37 1.00 -0.36 6.23 2.35 0.13 0.35 115.58 124.92 1a52 h ASN 519 Ca 0.04 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1a52 h ASN 519 Cb 0.40 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1a52 h ASN 519 CO -0.14 0.78 0.19 0.11 -1.65 0.00 0.00 177.43 176.72 1a52 h LYS 520 N 1.14 0.51 0.21 0.81 1.79 -0.50 -0.85 116.57 119.68 1a52 h LYS 520 Ca 0.29 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1a52 h LYS 520 Cb -0.02 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1a52 h LYS 520 CO -0.05 0.44 -0.14 0.78 -1.08 0.00 0.00 179.45 179.40 1a52 h GLY 521 N 0.45 -0.34 0.04 3.86 0.00 0.95 -0.17 103.07 107.86 1a52 h GLY 521 Ca 0.12 0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.79 1a52 h GLY 521 CO -0.02 -0.14 0.46 -0.33 0.00 0.00 0.00 176.54 176.51 1a52 h MET 522 N -0.34 0.55 0.04 4.80 2.86 -0.04 0.46 114.93 123.26 1a52 h MET 522 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1a52 h MET 522 Cb 0.29 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1a52 h MET 522 CO 0.02 0.36 -0.02 0.93 1.06 0.00 0.00 176.91 179.26 1a52 h GLU 523 N 0.57 -0.05 -0.26 1.72 5.08 -0.47 -2.58 114.58 118.58 1a52 h GLU 523 Ca 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.86 1a52 h GLU 523 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1a52 h GLU 523 CO -0.43 0.21 0.02 1.25 -1.00 0.00 0.00 179.01 179.05 1a52 h HIS 524 N -0.30 0.39 0.40 4.33 2.76 0.34 -2.18 115.15 120.89 1a52 h HIS 524 Ca -0.01 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1a52 h HIS 524 Cb 0.28 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1a52 h HIS 524 CO 0.01 0.38 -0.19 1.25 -1.30 0.00 0.00 177.93 178.08 1a52 h LEU 525 N 0.38 -0.45 -1.59 0.26 5.85 -0.07 -3.02 115.31 116.67 1a52 h LEU 525 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a52 h LEU 525 Cb 0.23 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1a52 h LEU 525 CO 0.00 -0.11 0.28 1.88 -0.34 0.00 0.00 178.44 180.15 1a52 h TYR 526 N -0.83 0.52 0.00 1.25 0.05 -1.34 -0.39 116.97 116.23 1a52 h TYR 526 Ca -0.05 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1a52 h TYR 526 Cb 0.54 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1a52 h TYR 526 CO 0.01 0.33 -0.19 0.66 -1.05 0.00 0.00 178.16 177.92 1a52 h SER 527 N 0.56 0.00 -0.17 3.88 4.64 -1.42 -1.95 113.55 119.10 1a52 h SER 527 Ca 0.15 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1a52 h SER 527 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1a52 h SER 527 CO -0.03 0.19 -0.19 0.24 -0.87 0.00 0.00 176.83 176.17 1a52 h MET 528 N 0.00 0.42 0.00 4.77 2.86 -0.94 -2.43 114.93 119.62 1a52 h MET 528 Ca -0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1a52 h MET 528 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1a52 h MET 528 CO 0.02 0.80 0.00 0.87 1.06 0.00 0.00 176.91 179.67 1a52 h LYS 529 N 0.07 0.00 0.00 1.72 1.57 -0.98 -2.26 116.57 116.69 1a52 h LYS 529 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1a52 h LYS 529 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1a52 h LYS 529 CO 0.05 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.84 1a52 s LYS 531 N -1.75 2.20 -1.65 0.00 1.02 -0.85 -3.12 119.74 115.60 1a52 s LYS 531 Ca -0.05 1.33 -0.21 0.00 0.02 0.00 0.00 55.97 57.06 1a52 s LYS 531 Cb -0.00 -1.88 0.20 0.00 -0.52 0.00 0.00 37.83 35.63 1a52 s LYS 531 CO 0.15 -1.71 0.54 0.27 -0.92 0.00 0.00 175.35 173.68 1a52 n ASN 532 N -3.28 -1.85 -0.02 2.83 0.23 -1.26 -4.78 115.26 107.12 1a52 n ASN 532 Ca 0.10 -1.02 -0.10 0.00 -0.53 0.00 0.00 54.58 53.04 1a52 n ASN 532 Cb 0.52 -1.62 -0.08 0.00 -2.08 0.00 0.00 39.78 36.52 1a52 n ASN 532 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1a52 h VAL 533 N -0.80 1.06 -1.18 3.53 3.04 -1.70 -3.48 116.25 116.71 1a52 h VAL 533 Ca -0.53 -1.59 0.16 0.00 -1.01 0.00 0.00 66.70 63.73 1a52 h VAL 533 Cb 1.34 1.92 -0.25 0.00 -2.01 0.00 0.00 31.29 32.29 1a52 h VAL 533 CO 0.78 0.33 0.31 0.54 -1.01 0.00 0.00 177.57 178.52 1a52 s VAL 534 N -2.54 -0.30 0.00 1.51 0.11 -1.26 -5.08 120.40 112.85 1a52 s VAL 534 Ca -0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1a52 s VAL 534 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1a52 s VAL 534 CO 0.46 0.00 0.00 -2.65 -3.33 0.00 0.00 175.10 169.58 1a52 n PRO 535 N 4.44 2.56 0.00 1.54 -0.02 -1.26 -5.02 135.00 137.24 1a52 n PRO 535 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1a52 n PRO 535 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1a52 n PRO 535 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1a52 n LEU 536 N 0.00 0.00 0.26 2.45 7.94 -1.26 -4.90 117.00 121.49 1a52 n LEU 536 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 1a52 n LEU 536 Cb 0.00 0.00 0.74 0.00 0.53 0.00 0.00 43.42 44.69 1a52 n LEU 536 CO 0.00 0.00 1.14 0.22 -1.11 0.00 0.00 177.39 177.64 1a52 h TYR 537 N 0.00 0.00 0.00 1.96 5.03 -1.99 -1.82 116.97 120.15 1a52 h TYR 537 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1a52 h TYR 537 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1a52 h TYR 537 CO 0.00 0.00 -0.00 -0.44 -1.32 0.00 0.00 178.16 176.40 1a52 h ASP 538 N 0.00 0.00 -0.88 -2.11 3.32 -2.00 -2.66 116.42 112.10 1a52 h ASP 538 Ca 0.06 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.27 1a52 h ASP 538 Cb 0.92 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.37 1a52 h ASP 538 CO -0.00 0.35 0.46 -0.07 -1.72 0.00 0.00 179.24 178.26 1a52 h LEU 539 N -0.70 0.56 -0.16 1.55 -0.00 -1.87 -0.98 115.31 113.70 1a52 h LEU 539 Ca 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1a52 h LEU 539 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1a52 h LEU 539 CO 0.00 0.22 0.06 -0.07 -0.00 0.00 0.00 178.44 178.65 1a52 h LEU 540 N 0.63 0.07 -0.56 1.67 3.38 -1.48 -1.94 115.31 117.09 1a52 h LEU 540 Ca 0.49 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.48 1a52 h LEU 540 Cb 0.71 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1a52 h LEU 540 CO -0.38 0.07 0.37 -0.07 0.09 0.00 0.00 178.44 178.52 1a52 h LEU 541 N 0.14 0.64 0.23 1.67 3.38 -0.84 -2.05 115.31 118.48 1a52 h LEU 541 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1a52 h LEU 541 Cb 0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1a52 h LEU 541 CO -0.07 0.46 -0.51 -0.33 0.09 0.00 0.00 178.44 178.09 1a52 h GLU 542 N 0.75 -0.78 -0.85 1.13 5.08 -0.99 -2.85 114.58 116.07 1a52 h GLU 542 Ca 0.20 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.81 1a52 h GLU 542 Cb -0.09 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 1a52 h GLU 542 CO -0.04 -0.52 0.33 0.52 -1.00 0.00 0.00 179.01 178.30 1a52 h MET 543 N -0.81 0.37 0.00 2.33 2.86 -1.11 -3.52 114.93 115.05 1a52 h MET 543 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1a52 h MET 543 Cb 0.77 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1a52 h MET 543 CO -0.22 0.24 0.00 1.28 1.06 0.00 0.00 176.91 179.28