#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdu s SER 321 N 0.00 6.56 0.26 7.28 1.04 -1.26 -4.87 113.70 122.71 1pdu s SER 321 Ca 0.00 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.46 1pdu s SER 321 Cb 0.00 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.07 1pdu s SER 321 CO 0.00 -0.63 1.71 0.25 0.98 0.00 0.00 173.24 175.55 1pdu h LEU 322 N 2.20 0.26 -0.42 2.42 5.85 -2.00 0.97 115.31 124.59 1pdu h LEU 322 Ca -0.49 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 1pdu h LEU 322 Cb 1.22 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1pdu h LEU 322 CO 0.61 0.06 -0.39 -0.29 -0.34 0.00 0.00 178.44 178.09 1pdu h ILE 323 N 0.41 1.27 -0.68 4.05 2.10 -1.94 0.47 117.51 123.20 1pdu h ILE 323 Ca 0.46 -1.56 -0.04 0.00 1.08 0.00 0.00 64.86 64.80 1pdu h ILE 323 Cb 0.76 1.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.85 1pdu h ILE 323 CO -0.46 0.52 0.27 0.74 -1.08 0.00 0.00 178.15 178.15 1pdu h THR 324 N 0.74 1.23 -0.30 2.19 2.02 -1.66 0.31 112.91 117.45 1pdu h THR 324 Ca 0.06 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1pdu h THR 324 Cb 0.97 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1pdu h THR 324 CO 0.09 0.29 0.16 0.00 0.37 0.00 0.00 175.52 176.44 1pdu h ALA 325 N 1.32 0.38 -0.28 6.16 0.00 -0.40 0.24 119.26 126.68 1pdu h ALA 325 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pdu h ALA 325 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pdu h ALA 325 CO -0.02 -0.10 0.08 -0.07 0.00 0.00 0.00 179.25 179.14 1pdu h LEU 326 N 0.36 0.41 -0.63 0.00 3.38 -0.23 -2.02 115.31 116.59 1pdu h LEU 326 Ca 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1pdu h LEU 326 Cb 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1pdu h LEU 326 CO -0.02 0.52 0.17 0.58 0.09 0.00 0.00 178.44 179.78 1pdu h VAL 327 N 0.29 1.25 -0.63 1.22 2.07 -0.23 -1.44 116.25 118.78 1pdu h VAL 327 Ca 0.09 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1pdu h VAL 327 Cb 0.25 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1pdu h VAL 327 CO -0.00 0.34 0.40 0.03 0.02 0.00 0.00 177.57 178.35 1pdu h ARG 328 N 0.91 0.84 -0.20 1.57 3.08 -0.86 -0.14 114.38 119.58 1pdu h ARG 328 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1pdu h ARG 328 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1pdu h ARG 328 CO -0.00 0.58 0.12 0.77 -1.07 0.00 0.00 179.97 180.37 1pdu h SER 329 N 0.85 0.25 0.04 7.04 0.02 -1.13 0.39 113.55 121.01 1pdu h SER 329 Ca 0.23 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1pdu h SER 329 Cb -0.06 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1pdu h SER 329 CO -0.05 0.22 -0.29 -0.74 -1.14 0.00 0.00 176.83 174.84 1pdu h HIS 330 N 0.25 -0.77 -0.74 3.45 -0.00 -0.90 0.16 115.15 116.59 1pdu h HIS 330 Ca 0.07 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1pdu h HIS 330 Cb 0.02 0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 1pdu h HIS 330 CO -0.05 -0.38 0.49 0.28 -0.00 0.00 0.00 177.93 178.27 1pdu h VAL 331 N -0.46 1.14 0.00 5.26 2.07 -0.72 -2.14 116.25 121.40 1pdu h VAL 331 Ca 0.05 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1pdu h VAL 331 Cb 0.52 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pdu h VAL 331 CO -0.22 0.17 -0.46 0.44 0.02 0.00 0.00 177.57 177.52 1pdu h ASP 332 N 0.93 0.00 -0.47 0.57 3.32 0.82 -3.11 116.42 118.48 1pdu h ASP 332 Ca 0.29 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 1pdu h ASP 332 Cb -0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1pdu h ASP 332 CO -0.08 0.46 0.08 0.35 -1.72 0.00 0.00 179.24 178.34 1pdu n THR 333 N -3.76 2.61 -4.08 0.35 -2.24 0.45 -4.89 114.28 102.72 1pdu n THR 333 Ca -0.01 -1.91 -0.33 0.00 -2.27 0.00 0.00 64.05 59.53 1pdu n THR 333 Cb 0.52 -0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.29 1pdu n THR 333 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pdu s THR 334 N -2.96 2.31 0.27 4.28 2.01 -0.88 -4.87 115.64 115.80 1pdu s THR 334 Ca 0.48 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1pdu s THR 334 Cb 0.39 -2.01 -0.13 0.00 0.01 0.00 0.00 72.50 70.76 1pdu s THR 334 CO 0.10 0.48 1.29 -2.65 -0.69 0.00 0.00 174.62 173.15 1pdu n PRO 335 N 4.64 1.90 -3.55 4.92 -0.02 -1.26 -4.95 135.00 136.68 1pdu n PRO 335 Ca -0.20 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 1pdu n PRO 335 Cb 0.50 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1pdu n PRO 335 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1pdu s ASP 336 N -0.05 6.69 0.62 2.55 -4.77 -1.26 -4.96 116.67 115.50 1pdu s ASP 336 Ca 0.63 0.82 0.07 0.00 -3.30 0.00 0.00 52.55 50.77 1pdu s ASP 336 Cb -0.65 -2.22 0.24 0.00 -1.09 0.00 0.00 42.92 39.21 1pdu s ASP 336 CO 0.55 0.29 1.05 -2.65 0.70 0.00 0.00 175.17 175.11 1pdu n PRO 337 N 2.20 0.02 0.11 2.11 -0.02 -1.26 0.00 135.00 138.16 1pdu n PRO 337 Ca -0.14 0.94 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1pdu n PRO 337 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1pdu n PRO 337 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pdu h SER 338 N 0.00 0.00 -0.36 2.55 4.64 -2.02 -3.35 113.55 115.00 1pdu h SER 338 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1pdu h SER 338 Cb 2.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.27 1pdu h SER 338 CO -0.00 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1pdu s LEU 340 N -2.80 4.05 -0.32 0.00 1.43 -1.23 -4.90 118.68 114.90 1pdu s LEU 340 Ca 0.46 2.59 -0.15 0.00 -1.03 0.00 0.00 54.13 56.00 1pdu s LEU 340 Cb 0.37 -4.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1pdu s LEU 340 CO 0.11 -1.08 0.36 -0.62 0.23 0.00 0.00 176.35 175.36 1pdu s ASP 341 N -0.98 6.19 0.00 2.29 2.15 0.19 -4.94 116.67 121.57 1pdu s ASP 341 Ca 0.63 -0.09 0.17 0.00 0.43 0.00 0.00 52.55 53.69 1pdu s ASP 341 Cb -0.36 -2.20 0.25 0.00 -0.30 0.00 0.00 42.92 40.31 1pdu s ASP 341 CO 0.44 -0.30 1.17 -1.22 -0.17 0.00 0.00 175.17 175.09 1pdu n TYR 342 N 5.37 0.24 0.28 -5.34 4.02 -1.26 -1.67 117.16 118.81 1pdu n TYR 342 Ca -0.09 -0.17 0.18 0.00 -0.01 0.00 0.00 57.90 57.81 1pdu n TYR 342 Cb 0.50 -0.00 0.95 0.00 -0.02 0.00 0.00 39.34 40.76 1pdu n TYR 342 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1pdu h SER 343 N 3.31 0.00 0.00 7.72 4.64 -1.92 -1.70 113.55 125.60 1pdu h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pdu h SER 343 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1pdu h SER 343 CO 0.00 0.00 -1.68 1.41 -0.87 0.00 0.00 176.83 175.69 1pdu n HIS 344 N -2.76 0.00 -0.25 4.77 8.25 -1.26 -4.71 115.22 119.26 1pdu n HIS 344 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1pdu n HIS 344 Cb 0.11 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 30.90 1pdu n HIS 344 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pdu h TYR 345 N 0.00 -0.79 -2.99 4.41 3.20 -1.33 -3.41 116.97 116.07 1pdu h TYR 345 Ca 0.00 0.08 -0.54 0.00 3.14 0.00 0.00 58.73 61.41 1pdu h TYR 345 Cb 0.78 0.45 0.01 0.00 1.54 0.00 0.00 36.73 39.51 1pdu h TYR 345 CO 0.00 -0.37 0.75 -1.21 -1.64 0.00 0.00 178.16 175.69 1pdu s GLU 346 N -6.07 4.32 -0.22 1.82 2.02 -1.26 -4.50 118.70 114.82 1pdu s GLU 346 Ca -0.14 1.95 -0.29 0.00 0.02 0.00 0.00 54.97 56.51 1pdu s GLU 346 Cb 0.18 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 1pdu s GLU 346 CO 0.71 -0.48 1.49 -1.21 0.02 0.00 0.00 175.26 175.80 1pdu s GLU 347 N 1.80 3.91 0.48 1.61 2.02 -1.26 -5.01 118.70 122.25 1pdu s GLU 347 Ca 0.63 1.60 0.05 0.00 0.02 0.00 0.00 54.97 57.26 1pdu s GLU 347 Cb -0.32 -3.96 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 1pdu s GLU 347 CO 0.28 -1.14 0.13 -0.65 0.02 0.00 0.00 175.26 173.90 1pdu s GLN 348 N 4.34 2.17 -0.16 1.61 -1.52 -1.26 -5.11 119.66 119.74 1pdu s GLN 348 Ca 0.66 -2.13 -0.23 0.00 -1.95 0.00 0.00 55.36 51.70 1pdu s GLN 348 Cb -0.23 -1.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.76 1pdu s GLN 348 CO 0.26 -0.30 0.73 -1.54 -0.25 0.00 0.00 175.29 174.19 1pdu s SER 349 N -3.94 6.87 0.12 5.90 1.04 -1.26 -5.05 113.70 117.38 1pdu s SER 349 Ca 0.25 1.06 0.04 0.00 0.48 0.00 0.00 55.95 57.78 1pdu s SER 349 Cb 0.03 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1pdu s SER 349 CO 0.14 -0.29 -0.10 -0.04 0.98 0.00 0.00 173.24 173.93 1pdu s MET 350 N 1.77 0.94 0.83 4.02 -1.94 -1.26 -5.14 119.30 118.51 1pdu s MET 350 Ca 0.35 -1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 52.92 1pdu s MET 350 Cb -0.17 -0.57 0.09 0.00 2.01 0.00 0.00 34.83 36.19 1pdu s MET 350 CO 0.13 0.08 1.09 -1.54 -0.01 0.00 0.00 175.02 174.77 1pdu s SER 351 N -2.78 4.09 0.36 3.03 1.04 -1.26 -4.87 113.70 113.31 1pdu s SER 351 Ca 0.11 1.52 0.03 0.00 0.48 0.00 0.00 55.95 58.08 1pdu s SER 351 Cb -0.00 -2.23 0.66 0.00 0.10 0.00 0.00 66.02 64.54 1pdu s SER 351 CO 0.00 -2.25 2.00 1.05 0.98 0.00 0.00 173.24 175.02 1pdu h GLU 352 N -1.28 0.77 -0.14 4.02 9.09 -2.01 -2.55 114.58 122.48 1pdu h GLU 352 Ca -0.47 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 58.87 1pdu h GLU 352 Cb 1.26 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.19 1pdu h GLU 352 CO 0.55 0.53 0.05 0.00 0.05 0.00 0.00 179.01 180.19 1pdu h ALA 353 N 1.61 0.18 -0.45 1.06 0.00 -1.90 -2.65 119.26 117.11 1pdu h ALA 353 Ca 0.21 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1pdu h ALA 353 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1pdu h ALA 353 CO -0.04 -0.21 0.31 -0.44 0.00 0.00 0.00 179.25 178.87 1pdu h ASP 354 N 0.05 0.21 -0.05 0.00 3.32 -1.82 -1.12 116.42 117.00 1pdu h ASP 354 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pdu h ASP 354 Cb 0.21 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1pdu h ASP 354 CO -0.00 0.13 0.03 0.11 -1.72 0.00 0.00 179.24 177.79 1pdu h LYS 355 N 0.23 0.07 -0.77 3.56 6.56 -1.12 -0.43 116.57 124.67 1pdu h LYS 355 Ca 0.20 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.74 1pdu h LYS 355 Cb 0.51 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.12 1pdu h LYS 355 CO -0.04 0.09 0.29 0.28 -2.06 0.00 0.00 179.45 178.01 1pdu h VAL 356 N 0.03 1.26 -0.74 0.50 2.07 -1.17 -2.57 116.25 115.63 1pdu h VAL 356 Ca 0.02 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1pdu h VAL 356 Cb 0.03 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1pdu h VAL 356 CO -0.00 0.34 0.47 -0.61 0.02 0.00 0.00 177.57 177.79 1pdu h GLN 357 N 1.13 0.99 -0.49 1.57 5.75 -0.88 -0.44 115.11 122.72 1pdu h GLN 357 Ca 0.26 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1pdu h GLN 357 Cb 0.24 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1pdu h GLN 357 CO -0.02 0.67 0.19 0.37 -2.65 0.00 0.00 178.83 177.39 1pdu h GLN 358 N 1.01 0.71 -0.08 1.69 4.15 -0.78 0.17 115.11 121.97 1pdu h GLN 358 Ca 0.27 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1pdu h GLN 358 Cb -0.08 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 1pdu h GLN 358 CO -0.05 0.59 -0.09 0.35 -1.93 0.00 0.00 178.83 177.69 1pdu h PHE 359 N 0.70 0.25 -0.21 3.99 3.57 -1.01 -0.92 116.94 123.32 1pdu h PHE 359 Ca 0.17 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1pdu h PHE 359 Cb 0.15 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1pdu h PHE 359 CO 0.01 0.65 0.14 1.88 -2.23 0.00 0.00 178.31 178.76 1pdu h TYR 360 N -0.22 0.26 -0.39 0.41 0.05 -0.80 -0.93 116.97 115.36 1pdu h TYR 360 Ca 0.01 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.84 1pdu h TYR 360 Cb 0.62 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 1pdu h TYR 360 CO 0.09 0.17 0.16 0.37 -1.05 0.00 0.00 178.16 177.91 1pdu h GLN 361 N 0.28 0.33 -0.84 4.88 5.75 -0.67 0.28 115.11 125.13 1pdu h GLN 361 Ca 0.08 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1pdu h GLN 361 Cb -0.03 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 1pdu h GLN 361 CO -0.02 0.22 0.54 1.25 -2.65 0.00 0.00 178.83 178.18 1pdu h LEU 362 N 0.34 0.91 -0.22 -2.39 5.85 -0.93 -0.66 115.31 118.21 1pdu h LEU 362 Ca 0.17 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1pdu h LEU 362 Cb 0.12 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1pdu h LEU 362 CO -0.15 0.64 -0.24 0.25 -0.34 0.00 0.00 178.44 178.60 1pdu h LEU 363 N 1.07 0.59 -0.17 2.25 5.85 -0.30 -2.71 115.31 121.89 1pdu h LEU 363 Ca 0.33 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1pdu h LEU 363 Cb -0.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1pdu h LEU 363 CO -0.10 0.95 -0.21 0.71 -0.34 0.00 0.00 178.44 179.45 1pdu h THR 364 N 0.23 1.35 -0.46 1.05 1.35 -0.29 -1.84 112.91 114.30 1pdu h THR 364 Ca 0.03 -1.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.45 1pdu h THR 364 Cb 0.80 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1pdu h THR 364 CO 0.06 0.42 0.15 0.77 -0.25 0.00 0.00 175.52 176.67 1pdu h SER 365 N 0.08 0.61 -0.29 5.36 4.64 -1.22 -0.53 113.55 122.20 1pdu h SER 365 Ca 0.02 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1pdu h SER 365 Cb 0.77 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1pdu h SER 365 CO 0.05 0.58 -0.26 0.28 -0.87 0.00 0.00 176.83 176.61 1pdu h SER 366 N 0.66 0.74 -0.58 4.97 0.02 -1.45 -2.73 113.55 115.17 1pdu h SER 366 Ca 0.16 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1pdu h SER 366 Cb 0.19 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1pdu h SER 366 CO -0.01 1.05 0.31 0.58 -1.14 0.00 0.00 176.83 177.61 1pdu h VAL 367 N 0.44 1.19 -0.31 2.27 2.07 -0.92 -1.35 116.25 119.63 1pdu h VAL 367 Ca 0.05 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1pdu h VAL 367 Cb 0.83 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1pdu h VAL 367 CO 0.07 0.22 0.08 0.44 0.02 0.00 0.00 177.57 178.40 1pdu h ASP 368 N 0.85 0.06 -0.86 0.57 3.32 -0.88 0.26 116.42 119.75 1pdu h ASP 368 Ca 0.21 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1pdu h ASP 368 Cb 0.06 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1pdu h ASP 368 CO -0.03 0.07 0.50 0.58 -1.72 0.00 0.00 179.24 178.64 1pdu h VAL 369 N 0.21 1.24 -0.03 -1.35 2.07 -1.09 -0.63 116.25 116.67 1pdu h VAL 369 Ca 0.14 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1pdu h VAL 369 Cb 0.14 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1pdu h VAL 369 CO -0.17 0.27 -0.20 0.40 0.02 0.00 0.00 177.57 177.89 1pdu h ILE 370 N 1.20 1.16 -0.76 4.57 2.04 -0.19 -1.20 117.51 124.34 1pdu h ILE 370 Ca 0.31 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1pdu h ILE 370 Cb -0.01 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1pdu h ILE 370 CO -0.05 0.21 0.50 0.50 0.00 0.00 0.00 178.15 179.31 1pdu h LYS 371 N 0.04 0.97 -0.68 2.37 1.63 0.11 -1.84 116.57 119.17 1pdu h LYS 371 Ca 0.01 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1pdu h LYS 371 Cb 0.37 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1pdu h LYS 371 CO 0.03 0.64 0.43 1.96 -3.45 0.00 0.00 179.45 179.06 1pdu h GLN 372 N 1.00 0.91 -0.08 1.90 4.20 -0.89 -1.30 115.11 120.86 1pdu h GLN 372 Ca 0.29 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1pdu h GLN 372 Cb -0.08 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.50 1pdu h GLN 372 CO -0.08 0.63 -0.02 0.35 -0.67 0.00 0.00 178.83 179.04 1pdu h PHE 373 N 0.94 0.16 -0.86 2.96 3.04 -1.18 -3.14 116.94 118.86 1pdu h PHE 373 Ca 0.25 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.20 1pdu h PHE 373 Cb -0.07 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.35 1pdu h PHE 373 CO 0.00 0.46 0.56 0.00 -2.02 0.00 0.00 178.31 177.32 1pdu h ALA 374 N 0.68 1.48 0.00 2.41 0.00 -0.98 -1.11 119.26 121.74 1pdu h ALA 374 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pdu h ALA 374 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pdu h ALA 374 CO 0.01 0.42 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1pdu n GLU 375 N -4.45 0.13 -0.16 0.00 1.02 -0.52 -2.22 120.64 114.43 1pdu n GLU 375 Ca 0.12 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.53 1pdu n GLU 375 Cb 0.13 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.22 1pdu n GLU 375 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pdu n LYS 376 N -1.38 2.22 -2.66 3.49 5.02 -0.42 -4.87 118.16 119.56 1pdu n LYS 376 Ca 0.06 -2.02 -0.43 0.00 -2.02 0.00 0.00 58.31 53.89 1pdu n LYS 376 Cb 0.14 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1pdu n LYS 376 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pdu s ILE 377 N -1.21 4.28 -0.01 -0.18 1.01 -0.94 -4.79 121.20 119.36 1pdu s ILE 377 Ca 0.30 1.12 -0.35 0.00 0.00 0.00 0.00 60.65 61.72 1pdu s ILE 377 Cb 0.17 -4.56 -0.14 0.00 0.01 0.00 0.00 42.46 37.95 1pdu s ILE 377 CO 0.24 -0.95 1.68 -0.81 0.00 0.00 0.00 174.94 175.09 1pdu n PRO 378 N 7.65 1.85 0.00 2.79 -0.04 -1.26 -0.68 135.00 145.32 1pdu n PRO 378 Ca 0.11 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1pdu n PRO 378 Cb 0.49 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1pdu n PRO 378 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pdu n GLY 379 N 3.76 2.67 0.22 0.55 0.00 -1.26 -4.94 105.19 106.19 1pdu n GLY 379 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1pdu n GLY 379 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pdu h TYR 380 N 0.00 0.72 0.00 1.61 3.20 -1.23 -2.43 116.97 118.84 1pdu h TYR 380 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1pdu h TYR 380 Cb 0.00 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1pdu h TYR 380 CO 0.00 0.66 0.00 1.19 -1.64 0.00 0.00 178.16 178.37 1pdu n PHE 381 N -4.54 0.00 0.99 -3.82 3.72 -1.26 -2.23 117.46 110.32 1pdu n PHE 381 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1pdu n PHE 381 Cb 0.20 -0.49 0.52 0.00 -0.94 0.00 0.00 39.48 38.77 1pdu n PHE 381 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1pdu n ASP 382 N -1.49 0.15 -4.87 4.37 8.00 -0.92 -4.81 116.55 116.99 1pdu n ASP 382 Ca 0.05 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.55 1pdu n ASP 382 Cb 0.23 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1pdu n ASP 382 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pdu s LEU 383 N -3.04 3.86 0.25 0.64 1.43 -0.95 -5.01 118.68 115.86 1pdu s LEU 383 Ca 0.13 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.11 1pdu s LEU 383 Cb 0.18 -4.06 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 1pdu s LEU 383 CO 0.58 -0.38 1.52 -0.76 0.23 0.00 0.00 176.35 177.54 1pdu s LEU 384 N -3.71 4.37 0.33 1.79 1.43 -1.26 -4.73 118.68 116.89 1pdu s LEU 384 Ca 0.52 2.76 0.10 0.00 -1.03 0.00 0.00 54.13 56.48 1pdu s LEU 384 Cb -0.10 -3.62 0.98 0.00 0.03 0.00 0.00 46.19 43.47 1pdu s LEU 384 CO 0.29 -0.80 1.64 -0.65 0.23 0.00 0.00 176.35 177.06 1pdu h PRO 385 N 5.32 0.23 -0.76 1.29 0.11 -1.94 0.57 132.00 136.82 1pdu h PRO 385 Ca -0.46 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1pdu h PRO 385 Cb 1.22 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1pdu h PRO 385 CO 0.81 0.15 0.38 0.93 -0.21 0.00 0.00 178.00 180.06 1pdu h GLU 386 N 0.23 0.61 0.03 1.05 3.07 -2.00 0.14 114.58 117.71 1pdu h GLU 386 Ca 0.68 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 59.26 1pdu h GLU 386 Cb 1.53 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1pdu h GLU 386 CO -0.66 0.40 -1.03 -0.44 -1.40 0.00 0.00 179.01 175.88 1pdu h ASP 387 N 0.62 0.62 -0.37 1.42 3.32 -0.34 -2.30 116.42 119.39 1pdu h ASP 387 Ca 0.38 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.96 1pdu h ASP 387 Cb 0.44 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1pdu h ASP 387 CO -0.29 1.33 0.10 1.56 -1.72 0.00 0.00 179.24 180.22 1pdu h GLN 388 N 0.24 0.23 -0.28 3.56 4.20 0.30 -1.01 115.11 122.36 1pdu h GLN 388 Ca -0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1pdu h GLN 388 Cb 1.68 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 1pdu h GLN 388 CO 0.18 0.15 0.09 1.49 -0.67 0.00 0.00 178.83 180.07 1pdu h GLU 389 N 0.24 0.44 -0.31 1.46 4.81 -0.80 -2.40 114.58 118.02 1pdu h GLU 389 Ca 0.18 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1pdu h GLU 389 Cb 0.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1pdu h GLU 389 CO -0.21 0.50 0.18 1.25 -0.73 0.00 0.00 179.01 180.01 1pdu h LEU 390 N 0.29 0.29 -0.18 1.64 5.85 -1.05 -1.18 115.31 120.98 1pdu h LEU 390 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1pdu h LEU 390 Cb 0.25 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1pdu h LEU 390 CO -0.00 0.21 0.10 -0.07 -0.34 0.00 0.00 178.44 178.34 1pdu h LEU 391 N 0.37 0.22 -0.42 2.25 3.38 -1.16 -1.27 115.31 118.68 1pdu h LEU 391 Ca 0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1pdu h LEU 391 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pdu h LEU 391 CO -0.06 0.22 0.09 0.15 0.09 0.00 0.00 178.44 178.93 1pdu h PHE 392 N 0.20 0.72 -0.61 1.13 3.57 -1.25 0.27 116.94 120.97 1pdu h PHE 392 Ca 0.06 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1pdu h PHE 392 Cb 0.04 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1pdu h PHE 392 CO -0.05 0.68 0.12 1.96 -2.23 0.00 0.00 178.31 178.79 1pdu h GLN 393 N 0.55 0.98 0.00 1.11 4.20 -1.18 0.47 115.11 121.24 1pdu h GLN 393 Ca 0.13 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pdu h GLN 393 Cb 0.33 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1pdu h GLN 393 CO 0.00 0.89 0.00 0.77 -0.67 0.00 0.00 178.83 179.82 1pdu h SER 394 N 0.93 0.00 0.00 1.46 0.02 -0.99 -3.29 113.55 111.68 1pdu h SER 394 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1pdu h SER 394 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1pdu h SER 394 CO 0.01 0.00 -0.80 0.00 -1.14 0.00 0.00 176.83 174.89 1pdu n ALA 395 N -2.04 3.08 -0.12 3.77 0.00 0.06 -4.76 120.51 120.50 1pdu n ALA 395 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 1pdu n ALA 395 Cb 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1pdu n ALA 395 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pdu h SER 396 N 0.00 -1.03 -0.16 0.00 4.64 -0.14 -0.27 113.55 116.59 1pdu h SER 396 Ca 0.00 0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pdu h SER 396 Cb 0.32 0.49 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1pdu h SER 396 CO 0.00 -0.31 0.09 0.25 -0.87 0.00 0.00 176.83 175.99 1pdu h LEU 397 N -0.24 0.20 -0.34 5.97 5.85 -1.86 -1.36 115.31 123.53 1pdu h LEU 397 Ca 0.17 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1pdu h LEU 397 Cb 0.53 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1pdu h LEU 397 CO -0.53 0.21 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.44 1pdu h GLU 398 N 0.18 0.08 -0.81 1.25 5.08 -1.73 0.48 114.58 119.11 1pdu h GLU 398 Ca 0.06 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1pdu h GLU 398 Cb 0.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1pdu h GLU 398 CO -0.01 0.05 0.51 -0.07 -1.00 0.00 0.00 179.01 178.50 1pdu h LEU 399 N 0.08 0.83 -0.34 1.33 3.38 -0.89 0.76 115.31 120.46 1pdu h LEU 399 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1pdu h LEU 399 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1pdu h LEU 399 CO -0.28 0.57 0.21 0.15 0.09 0.00 0.00 178.44 179.17 1pdu h PHE 400 N 0.98 0.39 -0.37 1.13 3.57 -0.35 -1.15 116.94 121.14 1pdu h PHE 400 Ca 0.33 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1pdu h PHE 400 Cb 0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1pdu h PHE 400 CO -0.03 0.23 0.00 0.28 -2.23 0.00 0.00 178.31 176.57 1pdu h VAL 401 N 0.42 1.26 0.31 1.41 2.07 0.18 -2.28 116.25 119.62 1pdu h VAL 401 Ca 0.13 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1pdu h VAL 401 Cb -0.02 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1pdu h VAL 401 CO -0.05 0.33 -0.26 0.25 0.02 0.00 0.00 177.57 177.86 1pdu h LEU 402 N 0.47 -0.68 -1.00 2.57 5.85 0.81 -0.04 115.31 123.29 1pdu h LEU 402 Ca 0.11 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1pdu h LEU 402 Cb 0.46 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1pdu h LEU 402 CO 0.02 -0.39 0.35 0.03 -0.34 0.00 0.00 178.44 178.11 1pdu h ARG 403 N -0.58 1.07 -0.58 1.25 3.08 -1.27 -0.00 114.38 117.34 1pdu h ARG 403 Ca -0.02 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1pdu h ARG 403 Cb 0.52 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1pdu h ARG 403 CO -0.02 0.83 0.36 1.25 -1.07 0.00 0.00 179.97 181.31 1pdu h LEU 404 N 1.06 0.69 -0.24 3.04 5.85 -1.10 -1.39 115.31 123.22 1pdu h LEU 404 Ca 0.26 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1pdu h LEU 404 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1pdu h LEU 404 CO -0.03 0.53 -0.05 0.00 -0.34 0.00 0.00 178.44 178.55 1pdu h ALA 405 N 1.19 0.33 -0.33 1.25 0.00 -0.53 -2.35 119.26 118.81 1pdu h ALA 405 Ca 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pdu h ALA 405 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1pdu h ALA 405 CO -0.04 0.11 0.16 -0.92 0.00 0.00 0.00 179.25 178.56 1pdu h TYR 406 N 0.19 0.30 0.00 0.00 3.20 -0.77 -2.53 116.97 117.36 1pdu h TYR 406 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1pdu h TYR 406 Cb 0.50 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1pdu h TYR 406 CO 0.05 0.16 -0.20 -0.09 -1.64 0.00 0.00 178.16 176.44 1pdu h ARG 407 N 0.34 0.00 -6.91 1.82 2.43 -1.29 -3.45 114.38 107.31 1pdu h ARG 407 Ca 0.14 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.79 1pdu h ARG 407 Cb 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.67 1pdu h ARG 407 CO -0.10 0.20 0.60 0.00 -1.51 0.00 0.00 179.97 179.16 1pdu s ALA 408 N -3.63 3.35 -0.09 2.80 0.00 -0.89 -4.96 121.76 118.34 1pdu s ALA 408 Ca 0.01 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1pdu s ALA 408 Cb 0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1pdu s ALA 408 CO 0.63 -0.67 -0.08 1.03 0.00 0.00 0.00 175.76 176.66 1pdu s ARG 409 N -2.03 2.96 0.10 0.00 3.00 -1.26 -4.93 118.95 116.79 1pdu s ARG 409 Ca 0.53 -0.59 -0.35 0.00 0.00 0.00 0.00 55.73 55.32 1pdu s ARG 409 Cb -0.37 -2.62 -0.15 0.00 0.00 0.00 0.00 34.95 31.81 1pdu s ARG 409 CO 0.49 0.52 1.49 1.51 0.00 0.00 0.00 175.30 179.31 1pdu n ILE 410 N 2.65 0.04 -2.25 1.52 3.06 -1.26 -4.08 119.36 119.03 1pdu n ILE 410 Ca -0.18 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 1pdu n ILE 410 Cb 0.53 -1.23 0.00 0.00 0.54 0.00 0.00 39.64 39.48 1pdu n ILE 410 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1pdu n ASP 411 N 3.26 -7.43 -3.64 9.51 8.00 -1.26 -5.07 116.55 119.91 1pdu n ASP 411 Ca 0.18 1.65 -0.04 0.00 0.71 0.00 0.00 54.79 57.29 1pdu n ASP 411 Cb 0.24 -4.41 -0.07 0.00 -0.02 0.00 0.00 41.12 36.86 1pdu n ASP 411 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pdu s ASP 412 N -0.46 -0.14 0.17 -2.24 2.15 -1.26 -5.06 116.67 109.84 1pdu s ASP 412 Ca 0.00 0.26 -0.09 0.00 0.43 0.00 0.00 52.55 53.15 1pdu s ASP 412 Cb 0.00 0.26 0.05 0.00 -0.30 0.00 0.00 42.92 42.92 1pdu s ASP 412 CO 0.00 -0.05 1.57 0.71 -0.17 0.00 0.00 175.17 177.23 1pdu h THR 413 N 3.08 1.27 -2.11 1.71 1.35 -1.97 -3.45 112.91 112.80 1pdu h THR 413 Ca -0.26 -1.36 -0.46 0.00 -0.55 0.00 0.00 66.41 63.78 1pdu h THR 413 Cb 1.19 1.11 0.07 0.00 -1.73 0.00 0.00 68.15 68.80 1pdu h THR 413 CO 0.17 0.47 0.07 -1.59 -0.25 0.00 0.00 175.52 174.39 1pdu s LYS 414 N -4.69 1.84 -0.17 4.72 -2.85 -1.26 0.99 119.74 118.32 1pdu s LYS 414 Ca -0.11 -1.10 -0.09 0.00 -1.00 0.00 0.00 55.97 53.67 1pdu s LYS 414 Cb 0.13 -2.37 0.06 0.00 -2.06 0.00 0.00 37.83 33.58 1pdu s LYS 414 CO 0.86 -1.30 0.41 -1.17 0.10 0.00 0.00 175.35 174.25 1pdu s LEU 415 N -5.06 -0.17 -0.16 2.77 2.96 -0.06 -4.58 118.68 114.38 1pdu s LEU 415 Ca 0.65 0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 55.42 1pdu s LEU 415 Cb -0.06 1.35 -0.03 0.00 0.50 0.00 0.00 46.19 47.95 1pdu s LEU 415 CO 0.43 -0.20 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.63 1pdu s ILE 416 N 1.56 4.19 0.03 6.68 1.01 -1.26 -1.82 121.20 131.60 1pdu s ILE 416 Ca -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1pdu s ILE 416 Cb -0.09 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1pdu s ILE 416 CO -0.13 0.49 0.17 -0.36 0.00 0.00 0.00 174.94 175.11 1pdu s PHE 417 N 0.31 3.45 -2.00 3.97 0.40 -0.25 -4.84 117.98 119.01 1pdu s PHE 417 Ca -0.01 0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1pdu s PHE 417 Cb -0.13 -1.76 0.18 0.00 0.51 0.00 0.00 43.02 41.82 1pdu s PHE 417 CO 0.02 0.59 0.50 0.00 0.70 0.00 0.00 175.22 177.03 1pdu n ASN 419 N -0.72 3.25 0.00 0.00 6.94 -1.26 -4.45 115.26 119.01 1pdu n ASN 419 Ca 0.02 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1pdu n ASN 419 Cb 0.01 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1pdu n ASN 419 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pdu n GLY 420 N 1.37 1.68 3.75 4.83 0.00 0.15 -4.90 105.19 112.07 1pdu n GLY 420 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1pdu n GLY 420 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pdu s THR 421 N -2.35 3.41 -0.10 2.61 2.01 -1.24 0.53 115.64 120.51 1pdu s THR 421 Ca 0.00 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.32 1pdu s THR 421 Cb 0.00 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1pdu s THR 421 CO 0.00 0.25 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.27 1pdu s VAL 422 N -0.54 2.22 0.10 3.82 1.01 -0.67 -1.09 120.40 125.26 1pdu s VAL 422 Ca 0.50 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1pdu s VAL 422 Cb -0.34 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1pdu s VAL 422 CO 0.40 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 175.25 1pdu s LEU 423 N 0.32 2.43 0.48 3.92 1.43 -0.75 -3.45 118.68 123.05 1pdu s LEU 423 Ca -0.17 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 51.67 1pdu s LEU 423 Cb -0.18 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.94 1pdu s LEU 423 CO 0.08 -0.50 1.19 -1.00 0.23 0.00 0.00 176.35 176.36 1pdu s HIS 424 N -3.67 2.78 0.35 0.29 3.76 -1.26 -0.89 115.29 116.66 1pdu s HIS 424 Ca 0.13 1.51 0.28 0.00 -0.15 0.00 0.00 55.06 56.84 1pdu s HIS 424 Cb 0.06 -3.44 1.40 0.00 1.11 0.00 0.00 32.58 31.71 1pdu s HIS 424 CO -0.04 -1.72 2.04 0.00 -0.85 0.00 0.00 174.74 174.17 1pdu h ARG 425 N 1.93 0.00 0.00 1.40 3.08 0.39 -1.61 114.38 119.57 1pdu h ARG 425 Ca -0.50 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.45 1pdu h ARG 425 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1pdu h ARG 425 CO 0.60 0.12 -0.48 1.79 -1.07 0.00 0.00 179.97 180.93 1pdu h THR 426 N 0.00 1.21 -0.13 2.04 1.35 -1.90 -1.29 112.91 114.19 1pdu h THR 426 Ca -0.00 -1.70 -0.22 0.00 -0.55 0.00 0.00 66.41 63.93 1pdu h THR 426 Cb 0.41 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1pdu h THR 426 CO 0.02 0.47 -0.79 1.56 -0.25 0.00 0.00 175.52 176.52 1pdu h GLN 427 N 0.00 0.77 0.00 4.72 4.20 -1.66 -3.01 115.11 120.13 1pdu h GLN 427 Ca -0.00 -0.65 -0.07 0.00 0.06 0.00 0.00 58.65 57.98 1pdu h GLN 427 Cb 0.91 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1pdu h GLN 427 CO 0.06 1.25 -0.34 0.00 -0.67 0.00 0.00 178.83 179.13 1pdu h LEU 429 N 0.00 0.50 -1.09 0.00 5.85 -1.20 0.50 115.31 119.88 1pdu h LEU 429 Ca -0.00 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1pdu h LEU 429 Cb 0.75 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1pdu h LEU 429 CO 0.04 0.74 0.35 0.03 -0.34 0.00 0.00 178.44 179.26 1pdu h ARG 430 N 0.25 0.99 0.01 1.25 -0.00 -1.36 0.93 114.38 116.45 1pdu h ARG 430 Ca 0.07 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.98 59.31 1pdu h ARG 430 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.28 1pdu h ARG 430 CO 0.02 0.75 -0.61 0.66 0.00 0.00 0.00 179.97 180.80 1pdu h SER 431 N 0.99 0.02 1.13 7.04 4.64 -1.29 -3.37 113.55 122.72 1pdu h SER 431 Ca 0.25 -0.78 -0.05 0.00 -0.47 0.00 0.00 61.79 60.74 1pdu h SER 431 Cb 0.08 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1pdu h SER 431 CO -0.03 1.24 -0.24 -0.26 -0.87 0.00 0.00 176.83 176.67 1pdu h PHE 432 N -0.97 0.00 -0.13 4.77 -1.00 -0.05 -3.50 116.94 116.06 1pdu h PHE 432 Ca -0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.62 1pdu h PHE 432 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1pdu h PHE 432 CO 0.19 0.24 0.00 0.41 -1.61 0.00 0.00 178.31 177.54 1pdu n GLY 433 N 0.42 -1.97 0.00 -1.45 0.00 0.32 -3.39 105.19 99.12 1pdu n GLY 433 Ca 0.01 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 44.65 1pdu n GLY 433 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pdu n GLU 434 N -0.12 0.16 0.16 1.61 -0.58 -1.26 -2.29 120.64 118.32 1pdu n GLU 434 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 1pdu n GLU 434 Cb 0.00 -1.24 0.26 0.00 -0.57 0.00 0.00 31.44 29.89 1pdu n GLU 434 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1pdu h TRP 435 N 0.00 0.00 -0.75 -0.32 7.01 -1.92 -3.03 115.95 116.94 1pdu h TRP 435 Ca 0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1pdu h TRP 435 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1pdu h TRP 435 CO 0.00 0.48 0.46 1.25 -2.79 0.00 0.00 178.44 177.84 1pdu h LEU 436 N 0.00 0.89 -0.93 0.65 5.85 -1.67 -2.38 115.31 117.72 1pdu h LEU 436 Ca -0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1pdu h LEU 436 Cb 0.97 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1pdu h LEU 436 CO 0.06 0.69 0.59 0.78 -0.34 0.00 0.00 178.44 180.22 1pdu h ASN 437 N 1.02 0.95 0.68 1.25 2.35 -1.77 0.17 115.58 120.24 1pdu h ASN 437 Ca 0.27 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1pdu h ASN 437 Cb -0.05 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1pdu h ASN 437 CO -0.05 0.61 -0.44 0.44 -1.65 0.00 0.00 177.43 176.34 1pdu h ASP 438 N 1.09 0.00 -0.14 5.81 3.32 -1.57 -2.13 116.42 122.81 1pdu h ASP 438 Ca 0.40 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.31 1pdu h ASP 438 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1pdu h ASP 438 CO -0.17 0.44 -0.44 0.40 -1.72 0.00 0.00 179.24 177.75 1pdu h ILE 439 N 0.00 1.36 -0.40 0.35 2.04 -0.53 -2.09 117.51 118.24 1pdu h ILE 439 Ca -0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1pdu h ILE 439 Cb 0.90 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1pdu h ILE 439 CO 0.06 0.53 0.11 0.24 0.00 0.00 0.00 178.15 179.09 1pdu h MET 440 N 0.16 0.58 -0.32 2.37 2.86 -0.62 0.26 114.93 120.22 1pdu h MET 440 Ca -0.02 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1pdu h MET 440 Cb 1.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1pdu h MET 440 CO 0.09 0.52 0.04 1.49 1.06 0.00 0.00 176.91 180.12 1pdu h GLU 441 N 0.57 0.54 -0.98 1.72 4.81 -1.32 0.63 114.58 120.55 1pdu h GLU 441 Ca 0.14 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1pdu h GLU 441 Cb 0.19 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1pdu h GLU 441 CO -0.01 0.64 0.64 0.35 -0.73 0.00 0.00 179.01 179.90 1pdu h PHE 442 N 0.37 1.21 0.04 0.92 3.57 -0.61 0.34 116.94 122.77 1pdu h PHE 442 Ca 0.10 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1pdu h PHE 442 Cb 0.36 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1pdu h PHE 442 CO 0.03 0.70 -0.24 1.03 -2.23 0.00 0.00 178.31 177.60 1pdu h SER 443 N 1.25 -0.70 -0.76 0.41 0.87 0.25 -0.52 113.55 114.36 1pdu h SER 443 Ca 0.39 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 61.07 1pdu h SER 443 Cb -0.02 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1pdu h SER 443 CO -0.12 -0.32 0.48 0.03 -0.53 0.00 0.00 176.83 176.37 1pdu h ARG 444 N -0.40 0.90 -0.93 2.24 3.08 -0.17 -1.33 114.38 117.77 1pdu h ARG 444 Ca 0.05 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1pdu h ARG 444 Cb 0.46 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 1pdu h ARG 444 CO -0.19 0.59 0.56 1.03 -1.07 0.00 0.00 179.97 180.89 1pdu h SER 445 N 0.92 0.79 -0.33 7.04 0.87 -0.21 -1.24 113.55 121.39 1pdu h SER 445 Ca 0.31 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 1pdu h SER 445 Cb 0.04 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1pdu h SER 445 CO -0.12 0.40 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.39 1pdu h LEU 446 N 0.86 0.67 -1.30 2.23 3.38 -0.01 -3.11 115.31 118.03 1pdu h LEU 446 Ca 0.47 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pdu h LEU 446 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pdu h LEU 446 CO -0.29 0.91 -0.03 0.45 0.09 0.00 0.00 178.44 179.57 1pdu h HIS 447 N 0.43 0.00 0.01 1.13 3.86 -0.71 -2.19 115.15 117.68 1pdu h HIS 447 Ca 0.08 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.09 1pdu h HIS 447 Cb 0.64 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1pdu h HIS 447 CO 0.06 0.03 -0.91 -0.91 0.86 0.00 0.00 177.93 177.06 1pdu h ASN 448 N 0.00 0.13 1.71 2.45 2.35 -1.22 -2.85 115.58 118.14 1pdu h ASN 448 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1pdu h ASN 448 Cb 0.58 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1pdu h ASN 448 CO 0.00 0.97 0.00 0.25 -1.65 0.00 0.00 177.43 177.00 1pdu h LEU 449 N 0.04 0.00 -2.19 1.61 5.85 -1.41 -3.49 115.31 115.73 1pdu h LEU 449 Ca -0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pdu h LEU 449 Cb 1.58 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.52 1pdu h LEU 449 CO 0.13 0.00 -1.17 -0.62 -0.34 0.00 0.00 178.44 176.44 1pdu n GLU 450 N -3.04 -3.92 -4.25 1.25 1.02 -0.86 -4.99 120.64 105.86 1pdu n GLU 450 Ca 0.03 2.98 -0.33 0.00 -0.02 0.00 0.00 57.16 59.81 1pdu n GLU 450 Cb 0.46 -4.06 -0.16 0.00 -0.02 0.00 0.00 31.44 27.67 1pdu n GLU 450 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pdu s ILE 451 N -0.50 2.44 0.92 -3.67 1.01 -1.26 -5.04 121.20 115.10 1pdu s ILE 451 Ca -0.19 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1pdu s ILE 451 Cb 0.01 -2.04 0.14 0.00 0.01 0.00 0.00 42.46 40.59 1pdu s ILE 451 CO 0.51 0.51 1.11 1.51 0.00 0.00 0.00 174.94 178.59 1pdu s ASP 452 N 1.15 3.35 0.34 3.58 1.47 -1.26 -4.78 116.67 120.53 1pdu s ASP 452 Ca 0.01 1.16 0.02 0.00 1.18 0.00 0.00 52.55 54.92 1pdu s ASP 452 Cb -0.14 -1.81 0.62 0.00 -0.34 0.00 0.00 42.92 41.25 1pdu s ASP 452 CO -0.07 -2.67 2.00 -0.29 0.68 0.00 0.00 175.17 174.81 1pdu h ILE 453 N -1.58 1.17 -0.12 2.11 2.10 -1.99 -1.40 117.51 117.80 1pdu h ILE 453 Ca -0.51 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.08 1pdu h ILE 453 Cb 1.31 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1pdu h ILE 453 CO 0.59 0.17 0.05 0.28 -1.08 0.00 0.00 178.15 178.16 1pdu h SER 454 N 0.85 0.16 -0.45 2.19 0.02 -1.95 -0.12 113.55 114.25 1pdu h SER 454 Ca 0.23 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1pdu h SER 454 Cb -0.06 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1pdu h SER 454 CO -0.05 0.25 -0.06 0.00 -1.14 0.00 0.00 176.83 175.84 1pdu h ALA 455 N 0.91 0.62 -0.68 3.77 0.00 -1.88 -2.11 119.26 119.89 1pdu h ALA 455 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1pdu h ALA 455 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pdu h ALA 455 CO -0.00 0.46 0.34 0.35 0.00 0.00 0.00 179.25 180.39 1pdu h PHE 456 N 0.67 0.94 -0.37 0.00 3.57 -1.15 0.13 116.94 120.73 1pdu h PHE 456 Ca 0.12 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1pdu h PHE 456 Cb 0.58 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1pdu h PHE 456 CO 0.04 0.68 0.18 0.00 -2.23 0.00 0.00 178.31 176.98 1pdu h ALA 457 N 1.42 0.47 -0.77 2.41 0.00 -0.76 0.27 119.26 122.31 1pdu h ALA 457 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pdu h ALA 457 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1pdu h ALA 457 CO -0.03 0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.65 1pdu h LEU 459 N 1.08 0.25 -0.79 0.00 3.38 -0.17 0.16 115.31 119.22 1pdu h LEU 459 Ca 0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pdu h LEU 459 Cb 0.08 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1pdu h LEU 459 CO -0.04 0.19 0.49 0.00 0.09 0.00 0.00 178.44 179.17 1pdu h ALA 461 N 1.27 1.28 0.00 0.00 0.00 -0.24 -2.07 119.26 119.50 1pdu h ALA 461 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pdu h ALA 461 Cb -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.33 1pdu h ALA 461 CO -0.06 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1pdu h LEU 462 N 1.33 0.00 -0.46 0.00 3.38 0.04 -0.92 115.31 118.68 1pdu h LEU 462 Ca 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 1pdu h LEU 462 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1pdu h LEU 462 CO -0.09 0.00 -0.39 0.74 0.09 0.00 0.00 178.44 178.78 1pdu h THR 463 N 0.00 1.28 0.02 0.22 2.02 -0.60 -3.35 112.91 112.49 1pdu h THR 463 Ca 0.00 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 1pdu h THR 463 Cb 0.61 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1pdu h THR 463 CO 0.00 0.52 -0.01 0.25 0.37 0.00 0.00 175.52 176.65 1pdu h LEU 464 N 0.69 -0.02 -8.24 2.58 5.85 -1.43 -3.43 115.31 111.32 1pdu h LEU 464 Ca 0.06 -0.26 -0.58 0.00 0.84 0.00 0.00 57.88 57.94 1pdu h LEU 464 Cb 0.97 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 1pdu h LEU 464 CO 0.09 0.60 1.15 -0.63 -0.34 0.00 0.00 178.44 179.31 1pdu s ILE 465 N -1.83 3.92 -0.00 4.05 -1.09 -0.37 -4.80 121.20 121.08 1pdu s ILE 465 Ca -0.05 -0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 57.87 1pdu s ILE 465 Cb -0.01 -4.94 0.10 0.00 -1.58 0.00 0.00 42.46 36.03 1pdu s ILE 465 CO 0.19 -1.82 0.84 0.28 -1.23 0.00 0.00 174.94 173.19 1pdu s THR 466 N 5.10 0.00 0.35 2.92 -1.32 -1.26 -4.67 115.64 116.76 1pdu s THR 466 Ca 0.37 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.57 1pdu s THR 466 Cb -0.06 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.81 1pdu s THR 466 CO 0.04 0.00 1.39 -1.84 -2.21 0.00 0.00 174.62 172.00 1pdu n GLU 467 N -0.02 2.37 -3.73 7.08 0.00 -1.26 -5.01 120.64 120.07 1pdu n GLU 467 Ca -0.11 0.83 -0.13 0.00 0.00 0.00 0.00 57.16 57.75 1pdu n GLU 467 Cb 0.61 -2.49 -0.08 0.00 0.00 0.00 0.00 31.44 29.49 1pdu n GLU 467 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pdu s ARG 468 N -1.85 0.79 0.01 3.44 1.81 -1.26 -5.12 118.95 116.77 1pdu s ARG 468 Ca 0.55 -0.33 -0.30 0.00 -1.72 0.00 0.00 55.73 53.93 1pdu s ARG 468 Cb -0.53 0.35 -0.07 0.00 -0.45 0.00 0.00 34.95 34.25 1pdu s ARG 468 CO 0.62 -0.24 1.67 -1.01 -0.68 0.00 0.00 175.30 175.66 1pdu s HIS 469 N -2.01 2.15 0.00 -0.53 3.76 -1.26 -3.21 115.29 114.18 1pdu s HIS 469 Ca -0.09 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1pdu s HIS 469 Cb -0.02 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.70 1pdu s HIS 469 CO 0.00 -3.98 0.00 0.41 -0.85 0.00 0.00 174.74 170.33 1pdu n GLY 470 N 4.09 1.85 3.59 -2.22 0.00 -1.26 -5.08 105.19 106.16 1pdu n GLY 470 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.70 1pdu n GLY 470 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pdu n LEU 471 N 0.00 1.66 -0.07 0.99 4.77 -1.20 -4.86 117.00 118.30 1pdu n LEU 471 Ca 0.00 1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.98 1pdu n LEU 471 Cb 0.00 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 1pdu n LEU 471 CO 0.00 -1.24 0.49 -0.09 -1.33 0.00 0.00 177.39 175.22 1pdu h ARG 472 N 3.38 0.69 -2.39 3.23 9.65 -1.95 -3.37 114.38 123.62 1pdu h ARG 472 Ca -0.43 -0.42 -0.59 0.00 -1.10 0.00 0.00 59.98 57.44 1pdu h ARG 472 Cb 1.34 0.04 -0.40 0.00 -1.39 0.00 0.00 29.97 29.56 1pdu h ARG 472 CO 0.70 1.04 -0.88 -0.85 2.80 0.00 0.00 179.97 182.78 1pdu n GLU 473 N -4.21 1.00 0.10 0.20 0.28 -1.26 -4.97 120.64 111.77 1pdu n GLU 473 Ca -0.05 -3.67 0.19 0.00 -0.16 0.00 0.00 57.16 53.47 1pdu n GLU 473 Cb 0.53 -1.76 0.75 0.00 1.43 0.00 0.00 31.44 32.39 1pdu n GLU 473 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1pdu h PRO 474 N 4.93 0.00 -0.12 3.44 0.13 -1.97 -1.86 132.00 136.55 1pdu h PRO 474 Ca 0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.19 1pdu h PRO 474 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1pdu h PRO 474 CO 0.53 0.00 -0.44 0.87 -0.23 0.00 0.00 178.00 178.73 1pdu h LYS 475 N 0.00 0.27 -0.02 0.86 1.57 -1.96 -0.85 116.57 116.44 1pdu h LYS 475 Ca 0.18 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1pdu h LYS 475 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1pdu h LYS 475 CO -0.00 0.67 -0.81 -0.22 -0.57 0.00 0.00 179.45 178.52 1pdu h LYS 476 N 0.23 0.25 -0.49 3.15 3.64 -1.77 -1.90 116.57 119.67 1pdu h LYS 476 Ca 0.02 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 1pdu h LYS 476 Cb 0.88 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1pdu h LYS 476 CO 0.07 0.93 -0.13 0.28 -2.27 0.00 0.00 179.45 178.33 1pdu h VAL 477 N 0.15 1.27 -0.46 2.00 2.07 -1.48 -2.56 116.25 117.24 1pdu h VAL 477 Ca -0.04 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1pdu h VAL 477 Cb 1.40 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1pdu h VAL 477 CO 0.13 0.44 0.24 -0.08 0.02 0.00 0.00 177.57 178.32 1pdu h GLU 478 N 0.83 0.47 -0.85 1.57 4.81 -0.90 -1.08 114.58 119.43 1pdu h GLU 478 Ca 0.13 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1pdu h GLU 478 Cb 0.67 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1pdu h GLU 478 CO 0.05 0.31 0.47 1.96 -0.73 0.00 0.00 179.01 181.07 1pdu h GLN 479 N 0.49 1.18 -0.04 1.92 4.20 -1.09 0.15 115.11 121.93 1pdu h GLN 479 Ca 0.19 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 1pdu h GLN 479 Cb 0.07 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1pdu h GLN 479 CO -0.12 0.87 -0.53 1.25 -0.67 0.00 0.00 178.83 179.63 1pdu h LEU 480 N 1.18 0.11 0.27 1.46 5.85 -1.15 -2.53 115.31 120.50 1pdu h LEU 480 Ca 0.30 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1pdu h LEU 480 Cb 0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pdu h LEU 480 CO -0.05 0.62 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.93 1pdu h GLN 481 N 0.08 -0.34 -0.87 1.25 4.15 -0.39 -1.98 115.11 117.01 1pdu h GLN 481 Ca -0.00 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.57 1pdu h GLN 481 Cb 0.96 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 1pdu h GLN 481 CO 0.07 -0.04 0.56 0.52 -1.93 0.00 0.00 178.83 178.02 1pdu h MET 482 N -0.66 0.69 -0.00 1.69 2.86 -0.96 0.20 114.93 118.75 1pdu h MET 482 Ca -0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pdu h MET 482 Cb 0.46 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1pdu h MET 482 CO 0.06 0.46 0.00 0.87 1.06 0.00 0.00 176.91 179.36 1pdu h LYS 483 N 0.71 0.00 -0.26 1.72 1.57 -1.29 0.17 116.57 119.19 1pdu h LYS 483 Ca 0.43 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1pdu h LYS 483 Cb 0.64 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pdu h LYS 483 CO -0.19 0.15 0.17 0.82 -0.57 0.00 0.00 179.45 179.83 1pdu h ILE 484 N -0.14 1.08 -0.72 1.86 2.04 -0.56 0.13 117.51 121.20 1pdu h ILE 484 Ca 0.00 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1pdu h ILE 484 Cb 0.14 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1pdu h ILE 484 CO -0.00 0.08 0.47 0.40 0.00 0.00 0.00 178.15 179.10 1pdu h ILE 485 N 0.35 0.97 -0.09 -0.67 2.04 -0.83 -0.50 117.51 118.77 1pdu h ILE 485 Ca 0.10 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1pdu h ILE 485 Cb -0.02 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1pdu h ILE 485 CO -0.02 0.12 0.05 1.23 0.00 0.00 0.00 178.15 179.53 1pdu h GLY 486 N 0.67 0.13 1.10 5.37 0.00 0.12 0.26 103.07 110.73 1pdu h GLY 486 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1pdu h GLY 486 CO -0.11 0.06 0.17 1.76 0.00 0.00 0.00 176.54 178.42 1pdu h SER 487 N 0.04 1.05 -0.43 0.19 0.02 -0.38 0.18 113.55 114.22 1pdu h SER 487 Ca 0.03 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1pdu h SER 487 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1pdu h SER 487 CO -0.00 1.00 0.09 0.25 -1.14 0.00 0.00 176.83 177.03 1pdu h LEU 488 N 1.05 0.67 -0.14 5.07 5.85 -0.92 -0.19 115.31 126.70 1pdu h LEU 488 Ca 0.22 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1pdu h LEU 488 Cb 0.37 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1pdu h LEU 488 CO 0.00 0.74 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.72 1pdu h ARG 489 N 0.57 0.01 -0.06 1.25 9.65 -0.01 0.07 114.38 125.85 1pdu h ARG 489 Ca 0.13 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1pdu h ARG 489 Cb 0.34 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1pdu h ARG 489 CO 0.00 0.01 -0.33 -0.44 2.80 0.00 0.00 179.97 182.01 1pdu h ASP 490 N 0.01 0.10 -0.21 -3.80 3.32 -0.47 -0.20 116.42 115.17 1pdu h ASP 490 Ca 0.07 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1pdu h ASP 490 Cb 0.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1pdu h ASP 490 CO -0.14 0.43 -0.17 -0.74 -1.72 0.00 0.00 179.24 176.90 1pdu h HIS 491 N 0.09 0.57 -0.44 4.55 2.76 -0.48 -3.19 115.15 119.02 1pdu h HIS 491 Ca 0.01 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 57.97 1pdu h HIS 491 Cb 0.63 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1pdu h HIS 491 CO 0.00 0.81 0.10 0.28 -1.30 0.00 0.00 177.93 177.82 1pdu h VAL 492 N 0.17 1.24 -0.76 5.26 2.07 -0.75 -2.83 116.25 120.65 1pdu h VAL 492 Ca 0.04 -0.83 0.21 0.00 0.82 0.00 0.00 66.70 66.93 1pdu h VAL 492 Cb 0.70 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1pdu h VAL 492 CO 0.04 0.29 0.54 0.74 0.02 0.00 0.00 177.57 179.20 1pdu h THR 493 N 0.58 0.65 -0.22 2.57 2.02 -1.05 -2.37 112.91 115.09 1pdu h THR 493 Ca 0.14 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1pdu h THR 493 Cb 0.34 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1pdu h THR 493 CO 0.00 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 1pdu n TYR 494 N -4.36 0.44 -3.26 3.16 4.02 -1.17 -4.89 117.16 111.10 1pdu n TYR 494 Ca 0.15 -0.64 -0.46 0.00 -0.01 0.00 0.00 57.90 56.95 1pdu n TYR 494 Cb 0.77 -0.11 -0.05 0.00 -0.02 0.00 0.00 39.34 39.92 1pdu n TYR 494 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1pdu s ASN 495 N -1.40 6.19 0.25 7.72 3.84 -0.89 -4.94 114.94 125.71 1pdu s ASN 495 Ca 0.24 -1.67 -0.03 0.00 0.21 0.00 0.00 52.86 51.60 1pdu s ASN 495 Cb 0.16 -2.23 0.52 0.00 -0.55 0.00 0.00 41.25 39.15 1pdu s ASN 495 CO 0.10 -0.92 1.68 0.00 -2.79 0.00 0.00 177.10 175.17 1pdu h ALA 496 N 8.97 1.03 -0.70 1.71 0.00 -1.90 -0.69 119.26 127.68 1pdu h ALA 496 Ca -0.30 0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pdu h ALA 496 Cb 1.10 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1pdu h ALA 496 CO 1.05 -0.35 0.38 1.05 0.00 0.00 0.00 179.25 181.38 1pdu h GLU 497 N 0.27 0.66 -0.33 0.00 -0.00 -1.96 -2.22 114.58 111.00 1pdu h GLU 497 Ca 0.45 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.36 59.59 1pdu h GLU 497 Cb 0.79 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.39 1pdu h GLU 497 CO -0.53 0.44 -0.48 0.00 -0.00 0.00 0.00 179.01 178.43 1pdu h ALA 498 N 1.39 0.51 0.00 1.06 0.00 -1.52 -2.76 119.26 117.93 1pdu h ALA 498 Ca 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pdu h ALA 498 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pdu h ALA 498 CO -0.21 0.68 0.00 1.04 0.00 0.00 0.00 179.25 180.76 1pdu n GLN 499 N -4.03 0.07 0.00 0.00 1.13 -0.43 -1.25 117.38 112.86 1pdu n GLN 499 Ca -0.03 0.43 0.12 0.00 -1.94 0.00 0.00 57.00 55.58 1pdu n GLN 499 Cb 0.60 -1.67 0.59 0.00 0.11 0.00 0.00 30.24 29.86 1pdu n GLN 499 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pdu n LYS 500 N -1.80 0.30 -5.21 -1.09 5.02 -0.88 -4.67 118.16 109.82 1pdu n LYS 500 Ca 0.01 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1pdu n LYS 500 Cb 0.11 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.46 1pdu n LYS 500 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pdu s LYS 501 N -2.62 2.18 0.34 1.97 1.02 -0.38 -5.12 119.74 117.14 1pdu s LYS 501 Ca 0.21 -0.87 -0.28 0.00 0.02 0.00 0.00 55.97 55.06 1pdu s LYS 501 Cb 0.16 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.39 1pdu s LYS 501 CO 0.37 0.45 1.23 1.14 -0.92 0.00 0.00 175.35 177.62 1pdu s GLN 502 N -0.37 4.31 -0.87 1.68 1.03 -1.26 -3.47 119.66 120.71 1pdu s GLN 502 Ca 0.03 2.03 -0.05 0.00 0.04 0.00 0.00 55.36 57.42 1pdu s GLN 502 Cb -0.11 -2.98 0.04 0.00 0.03 0.00 0.00 33.01 29.99 1pdu s GLN 502 CO 0.01 -0.16 0.20 0.72 -2.54 0.00 0.00 175.29 173.53 1pdu n HIS 503 N 0.66 -1.69 -0.31 9.60 8.25 -1.26 -4.80 115.22 125.67 1pdu n HIS 503 Ca 0.01 0.21 0.15 0.00 -0.26 0.00 0.00 57.72 57.83 1pdu n HIS 503 Cb 0.44 -2.19 0.39 0.00 1.12 0.00 0.00 29.99 29.76 1pdu n HIS 503 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pdu h TYR 504 N -0.38 0.86 -0.23 4.41 5.03 -1.84 -0.90 116.97 123.92 1pdu h TYR 504 Ca -0.27 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.04 1pdu h TYR 504 Cb 1.19 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1pdu h TYR 504 CO 0.75 0.22 0.04 0.35 -1.32 0.00 0.00 178.16 178.20 1pdu h PHE 505 N 0.64 0.40 -0.68 -3.82 3.57 -1.90 -1.37 116.94 113.77 1pdu h PHE 505 Ca 0.53 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.90 1pdu h PHE 505 Cb 0.98 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1pdu h PHE 505 CO -0.00 0.50 0.13 0.77 -2.23 0.00 0.00 178.31 177.48 1pdu h SER 506 N 0.19 1.05 0.56 0.41 0.02 -1.70 -2.01 113.55 112.06 1pdu h SER 506 Ca 0.07 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1pdu h SER 506 Cb 0.31 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1pdu h SER 506 CO 0.00 1.03 -0.17 0.03 -1.14 0.00 0.00 176.83 176.59 1pdu h ARG 507 N 1.03 0.00 0.01 3.45 3.08 -1.06 0.75 114.38 121.63 1pdu h ARG 507 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 1pdu h ARG 507 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1pdu h ARG 507 CO 0.01 0.17 -0.39 1.25 -1.07 0.00 0.00 179.97 179.93 1pdu h LEU 508 N 0.00 0.33 -1.53 3.04 5.85 -0.76 -3.09 115.31 119.15 1pdu h LEU 508 Ca -0.00 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.92 1pdu h LEU 508 Cb 0.50 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pdu h LEU 508 CO 0.02 1.09 0.00 -0.07 -0.34 0.00 0.00 178.44 179.14 1pdu h LEU 509 N -0.40 0.00 -0.35 2.25 3.38 -1.06 -2.17 115.31 116.97 1pdu h LEU 509 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pdu h LEU 509 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pdu h LEU 509 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1pdu n GLY 510 N -0.12 -1.44 0.18 0.83 0.00 0.23 -2.78 105.19 102.09 1pdu n GLY 510 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1pdu n GLY 510 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pdu h LYS 511 N 0.00 0.00 -0.31 1.61 1.79 -1.38 -3.31 116.57 114.96 1pdu h LYS 511 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1pdu h LYS 511 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1pdu h LYS 511 CO 0.00 0.31 0.08 -0.07 -1.08 0.00 0.00 179.45 178.69 1pdu h LEU 512 N 0.00 0.47 -1.09 2.94 3.38 -1.67 -1.31 115.31 118.02 1pdu h LEU 512 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1pdu h LEU 512 Cb 1.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1pdu h LEU 512 CO 0.04 0.57 0.17 -0.65 0.09 0.00 0.00 178.44 178.66 1pdu h PRO 513 N 0.35 0.81 -0.46 1.13 0.11 -1.75 -1.08 132.00 131.11 1pdu h PRO 513 Ca 0.10 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1pdu h PRO 513 Cb 0.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1pdu h PRO 513 CO -0.00 0.71 0.11 0.93 -0.21 0.00 0.00 178.00 179.53 1pdu h GLU 514 N 0.79 0.75 -0.42 1.05 5.08 -1.62 -2.48 114.58 117.73 1pdu h GLU 514 Ca 0.18 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1pdu h GLU 514 Cb 0.23 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1pdu h GLU 514 CO -0.01 0.74 0.23 1.25 -1.00 0.00 0.00 179.01 180.22 1pdu h LEU 515 N 0.63 0.35 -0.27 1.33 5.85 -0.70 -0.26 115.31 122.24 1pdu h LEU 515 Ca 0.15 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1pdu h LEU 515 Cb 0.33 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1pdu h LEU 515 CO 0.00 0.25 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.20 1pdu h ARG 516 N 0.46 0.00 -0.60 1.25 9.65 -1.00 -0.44 114.38 123.70 1pdu h ARG 516 Ca 0.18 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1pdu h ARG 516 Cb 0.05 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1pdu h ARG 516 CO -0.10 0.00 0.02 0.77 2.80 0.00 0.00 179.97 183.46 1pdu h SER 517 N 0.00 1.02 -0.17 -3.80 0.02 -1.15 -2.34 113.55 107.13 1pdu h SER 517 Ca 0.13 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1pdu h SER 517 Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1pdu h SER 517 CO -0.28 1.06 0.09 0.25 -1.14 0.00 0.00 176.83 176.82 1pdu h LEU 518 N 0.94 0.25 -0.11 5.07 5.85 -0.58 -2.62 115.31 124.11 1pdu h LEU 518 Ca 0.17 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 1pdu h LEU 518 Cb 0.53 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1pdu h LEU 518 CO 0.03 0.23 -0.57 0.28 -0.34 0.00 0.00 178.44 178.06 1pdu h SER 519 N 0.29 0.68 -1.00 1.25 0.02 -0.62 -3.07 113.55 111.11 1pdu h SER 519 Ca 0.07 -0.65 0.20 0.00 -0.84 0.00 0.00 61.79 60.58 1pdu h SER 519 Cb 0.05 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.28 1pdu h SER 519 CO -0.01 1.22 0.61 0.58 -1.14 0.00 0.00 176.83 178.10 1pdu h VAL 520 N 0.20 0.68 -0.62 2.27 2.07 -1.07 0.62 116.25 120.41 1pdu h VAL 520 Ca -0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pdu h VAL 520 Cb 1.21 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1pdu h VAL 520 CO 0.12 0.13 0.40 -0.61 0.02 0.00 0.00 177.57 177.62 1pdu h GLN 521 N 0.69 0.82 -0.29 1.57 4.15 -1.42 -0.39 115.11 120.24 1pdu h GLN 521 Ca 0.57 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 1pdu h GLN 521 Cb 0.98 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1pdu h GLN 521 CO -0.36 0.55 0.10 0.78 -1.93 0.00 0.00 178.83 177.97 1pdu h GLY 522 N 0.85 0.44 1.40 2.39 0.00 0.25 -2.37 103.07 106.04 1pdu h GLY 522 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1pdu h GLY 522 CO -0.05 0.20 0.40 1.41 0.00 0.00 0.00 176.54 178.50 1pdu h LEU 523 N 0.41 0.70 -0.88 3.11 3.38 -0.72 -0.68 115.31 120.65 1pdu h LEU 523 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1pdu h LEU 523 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1pdu h LEU 523 CO -0.01 0.51 0.17 1.56 0.09 0.00 0.00 178.44 180.76 1pdu h GLN 524 N 0.83 1.00 -0.12 1.13 4.20 -1.39 0.29 115.11 121.06 1pdu h GLN 524 Ca 0.22 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1pdu h GLN 524 Cb -0.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 1pdu h GLN 524 CO -0.05 0.88 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.75 1pdu h ARG 525 N 0.96 0.30 -0.53 1.46 1.12 -1.36 -1.78 114.38 114.55 1pdu h ARG 525 Ca 0.21 -0.17 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1pdu h ARG 525 Cb 0.32 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.27 1pdu h ARG 525 CO -0.00 0.74 0.20 0.82 -3.11 0.00 0.00 179.97 178.61 1pdu h ILE 526 N -0.11 1.20 -0.66 1.20 2.04 -0.92 -2.00 117.51 118.26 1pdu h ILE 526 Ca 0.01 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1pdu h ILE 526 Cb 0.70 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1pdu h ILE 526 CO 0.04 0.25 0.09 0.15 0.00 0.00 0.00 178.15 178.67 1pdu h PHE 527 N 0.76 1.18 -0.12 1.37 3.57 -0.32 -0.78 116.94 122.61 1pdu h PHE 527 Ca 0.18 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1pdu h PHE 527 Cb 0.18 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1pdu h PHE 527 CO 0.01 1.00 -0.04 -0.92 -2.23 0.00 0.00 178.31 176.13 1pdu h TYR 528 N 1.03 -0.08 -0.60 0.41 5.03 -0.62 -1.04 116.97 121.11 1pdu h TYR 528 Ca 0.20 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 1pdu h TYR 528 Cb 0.47 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.77 1pdu h TYR 528 CO 0.03 -0.06 0.33 -0.07 -1.32 0.00 0.00 178.16 177.07 1pdu h LEU 529 N -0.01 0.75 -2.23 2.82 3.38 -1.20 -1.81 115.31 117.01 1pdu h LEU 529 Ca 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1pdu h LEU 529 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pdu h LEU 529 CO -0.13 0.63 0.10 0.50 0.09 0.00 0.00 178.44 179.63 1pdu h LYS 530 N 0.81 0.00 0.15 1.13 3.64 -0.61 -1.97 116.57 119.72 1pdu h LYS 530 Ca 0.21 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.31 1pdu h LYS 530 Cb 0.04 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1pdu h LYS 530 CO -0.03 0.00 -1.20 -0.07 -2.27 0.00 0.00 179.45 175.88 1pdu h LEU 531 N 0.00 0.79 -1.63 5.20 3.38 -0.35 -3.04 115.31 119.66 1pdu h LEU 531 Ca 0.05 -0.87 0.09 0.00 0.09 0.00 0.00 57.88 57.25 1pdu h LEU 531 Cb 0.24 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1pdu h LEU 531 CO -0.00 1.58 0.39 -0.33 0.09 0.00 0.00 178.44 180.17 1pdu h GLU 532 N 0.11 0.41 -6.20 1.13 5.08 -1.03 -3.45 114.58 110.63 1pdu h GLU 532 Ca -0.19 -0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.70 1pdu h GLU 532 Cb 1.90 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.07 1pdu h GLU 532 CO 0.23 0.27 -0.81 -3.47 -1.00 0.00 0.00 179.01 174.22 1pdu n ASP 533 N -4.47 -2.17 0.19 1.42 2.03 -0.89 -4.88 116.55 107.78 1pdu n ASP 533 Ca 0.09 -0.83 0.08 0.00 0.52 0.00 0.00 54.79 54.65 1pdu n ASP 533 Cb 0.35 -3.89 0.14 0.00 -0.72 0.00 0.00 41.12 37.00 1pdu n ASP 533 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1pdu h LEU 534 N -1.93 0.00 -7.37 -2.67 3.38 -1.88 -3.46 115.31 101.38 1pdu h LEU 534 Ca -0.60 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 1pdu h LEU 534 Cb 1.37 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.92 1pdu h LEU 534 CO 0.60 0.24 -0.15 0.68 0.09 0.00 0.00 178.44 179.91 1pdu s VAL 535 N -3.14 0.04 0.26 1.22 -7.23 -1.26 -4.88 120.40 105.42 1pdu s VAL 535 Ca 0.05 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 1pdu s VAL 535 Cb 0.07 -0.74 -0.13 0.00 0.56 0.00 0.00 36.38 36.13 1pdu s VAL 535 CO 0.70 -0.20 1.39 -0.81 -0.31 0.00 0.00 175.10 175.87 1pdu n PRO 536 N 1.11 2.08 -2.68 4.82 -0.04 -1.26 -4.93 135.00 134.11 1pdu n PRO 536 Ca -0.21 0.74 -0.43 0.00 -0.04 0.00 0.00 63.50 63.56 1pdu n PRO 536 Cb 0.57 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 1pdu n PRO 536 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pdu s ALA 537 N -0.26 3.51 0.58 0.55 0.00 -1.26 -5.00 121.76 119.88 1pdu s ALA 537 Ca 0.65 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1pdu s ALA 537 Cb -0.63 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 18.81 1pdu s ALA 537 CO 0.52 -1.43 0.94 -2.30 0.00 0.00 0.00 175.76 173.49 1pdu n PRO 538 N 6.76 0.94 -0.13 0.00 -0.02 -1.26 -4.69 135.00 136.60 1pdu n PRO 538 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1pdu n PRO 538 Cb 0.47 -2.13 0.27 0.00 -0.02 0.00 0.00 33.50 32.10 1pdu n PRO 538 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pdu h ALA 539 N 0.61 1.44 -0.09 3.55 0.00 -1.98 0.10 119.26 122.89 1pdu h ALA 539 Ca -0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1pdu h ALA 539 Cb 1.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1pdu h ALA 539 CO 0.51 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 181.46 1pdu h LEU 540 N 0.82 0.11 0.04 0.00 5.85 -1.99 0.23 115.31 120.37 1pdu h LEU 540 Ca 0.21 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1pdu h LEU 540 Cb 0.04 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.05 1pdu h LEU 540 CO -0.03 0.15 -0.36 0.40 -0.34 0.00 0.00 178.44 178.26 1pdu h ILE 541 N 0.13 1.59 -0.88 4.05 1.08 -1.35 -3.31 117.51 118.82 1pdu h ILE 541 Ca 0.03 -2.21 0.10 0.00 -0.39 0.00 0.00 64.86 62.40 1pdu h ILE 541 Cb 0.11 3.03 -0.08 0.00 -3.07 0.00 0.00 36.82 36.80 1pdu h ILE 541 CO 0.00 0.60 0.52 -0.33 -0.69 0.00 0.00 178.15 178.25 1pdu h GLU 542 N -0.57 0.82 0.00 2.37 4.39 -0.11 -1.23 114.58 120.25 1pdu h GLU 542 Ca -0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1pdu h GLU 542 Cb 1.19 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1pdu h GLU 542 CO 0.07 0.54 0.00 -0.91 -1.16 0.00 0.00 179.01 177.55 1pdu h ASN 543 N 0.85 0.00 0.32 1.42 2.35 -0.66 -1.80 115.58 118.05 1pdu h ASN 543 Ca 0.43 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.09 1pdu h ASN 543 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1pdu h ASN 543 CO -0.26 0.00 -0.37 0.24 -1.65 0.00 0.00 177.43 175.39 1pdu h MET 544 N 0.00 0.08 -0.58 0.81 2.86 -1.32 -2.85 114.93 113.93 1pdu h MET 544 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1pdu h MET 544 Cb 0.14 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1pdu h MET 544 CO 0.00 0.44 0.00 1.19 1.06 0.00 0.00 176.91 179.60 1pdu n PHE 545 N -4.08 0.00 -2.69 -0.22 3.72 -0.68 -4.63 117.46 108.87 1pdu n PHE 545 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 1pdu n PHE 545 Cb 0.42 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1pdu n PHE 545 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pdu s VAL 546 N -1.35 4.37 0.00 -4.37 1.01 -1.08 -5.16 120.40 113.83 1pdu s VAL 546 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1pdu s VAL 546 Cb 0.00 -5.08 0.00 0.00 0.00 0.00 0.00 36.38 31.30 1pdu s VAL 546 CO 0.00 -1.88 0.00 0.41 0.00 0.00 0.00 175.10 173.63