#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k78 s ILE 335 N 0.00 2.62 0.24 0.58 2.07 -1.26 -5.02 121.20 120.43 1k78 s ILE 335 Ca 0.00 0.54 -0.09 0.00 -1.41 0.00 0.00 60.65 59.69 1k78 s ILE 335 Cb 0.00 -3.31 -0.07 0.00 0.13 0.00 0.00 42.46 39.21 1k78 s ILE 335 CO 0.00 0.06 0.56 -1.10 -1.91 0.00 0.00 174.94 172.55 1k78 s GLN 336 N -2.34 3.79 0.21 3.50 -0.21 -1.26 -4.94 119.66 118.41 1k78 s GLN 336 Ca 0.59 0.26 -0.11 0.00 0.02 0.00 0.00 55.36 56.12 1k78 s GLN 336 Cb -0.37 -2.64 0.27 0.00 1.00 0.00 0.00 33.01 31.27 1k78 s GLN 336 CO 0.47 0.30 1.69 1.25 -2.12 0.00 0.00 175.29 176.88 1k78 h LEU 337 N 2.45 -0.14 -1.44 2.90 5.85 -1.99 -0.69 115.31 122.25 1k78 h LEU 337 Ca -0.47 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1k78 h LEU 337 Cb 1.17 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1k78 h LEU 337 CO 0.69 -0.05 0.12 4.11 -0.34 0.00 0.00 178.44 182.97 1k78 h TRP 338 N 0.18 0.49 -0.27 1.25 5.08 -1.97 -1.39 115.95 119.32 1k78 h TRP 338 Ca 0.30 -0.02 -0.14 0.00 1.08 0.00 0.00 58.89 60.11 1k78 h TRP 338 Cb 0.47 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1k78 h TRP 338 CO -0.30 0.40 -0.38 1.96 -1.28 0.00 0.00 178.44 178.84 1k78 h GLN 339 N 0.49 0.73 -0.02 0.12 4.20 -1.61 -2.27 115.11 116.74 1k78 h GLN 339 Ca 0.12 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.42 1k78 h GLN 339 Cb 0.13 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1k78 h GLN 339 CO -0.01 1.05 -0.12 0.35 -0.67 0.00 0.00 178.83 179.44 1k78 h PHE 340 N 0.47 -0.30 -0.90 2.96 3.57 -0.61 0.16 116.94 122.29 1k78 h PHE 340 Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1k78 h PHE 340 Cb 0.97 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1k78 h PHE 340 CO 0.08 -0.18 0.56 -0.07 -2.23 0.00 0.00 178.31 176.47 1k78 h LEU 341 N -0.19 0.88 -1.01 0.59 3.38 -1.27 -1.53 115.31 116.17 1k78 h LEU 341 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1k78 h LEU 341 Cb 0.25 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1k78 h LEU 341 CO -0.13 0.56 0.42 0.25 0.09 0.00 0.00 178.44 179.63 1k78 h LEU 342 N 1.02 1.00 -0.58 1.67 5.85 -0.78 0.12 115.31 123.61 1k78 h LEU 342 Ca 0.39 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1k78 h LEU 342 Cb 0.18 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1k78 h LEU 342 CO -0.18 0.82 0.20 -0.33 -0.34 0.00 0.00 178.44 178.61 1k78 h GLU 343 N 1.12 0.89 -0.48 1.25 5.08 -0.04 -2.14 114.58 120.26 1k78 h GLU 343 Ca 0.28 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1k78 h GLU 343 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1k78 h GLU 343 CO -0.04 0.79 0.16 -0.07 -1.00 0.00 0.00 179.01 178.84 1k78 h LEU 344 N 0.81 0.69 -2.16 1.33 4.07 -0.65 -3.00 115.31 116.41 1k78 h LEU 344 Ca 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1k78 h LEU 344 Cb 0.26 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1k78 h LEU 344 CO -0.01 0.71 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.98 1k78 h LEU 345 N 0.64 0.00 -3.29 1.67 -0.00 -0.46 -2.62 115.31 111.25 1k78 h LEU 345 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1k78 h LEU 345 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1k78 h LEU 345 CO -0.01 0.01 0.00 0.35 -0.00 0.00 0.00 178.44 178.79 1k78 n THR 346 N -3.13 2.26 -4.03 0.22 -2.24 -0.83 -4.85 114.28 101.68 1k78 n THR 346 Ca -0.01 -1.65 -0.31 0.00 -2.27 0.00 0.00 64.05 59.81 1k78 n THR 346 Cb 0.20 -0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.11 1k78 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k78 s ASP 347 N -1.52 4.43 0.58 3.42 -1.08 -0.99 -5.01 116.67 116.50 1k78 s ASP 347 Ca 0.44 -1.57 0.29 0.00 -0.52 0.00 0.00 52.55 51.19 1k78 s ASP 347 Cb 0.34 -1.49 1.50 0.00 -1.46 0.00 0.00 42.92 41.81 1k78 s ASP 347 CO 0.12 -0.25 1.94 0.11 0.52 0.00 0.00 175.17 177.61 1k78 h LYS 348 N 7.77 0.00 0.00 4.34 1.57 -1.89 -1.48 116.57 126.88 1k78 h LYS 348 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1k78 h LYS 348 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1k78 h LYS 348 CO 0.47 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.22 1k78 n SER 349 N -3.82 0.50 -1.07 0.86 3.41 -1.26 -2.83 113.62 109.42 1k78 n SER 349 Ca 0.08 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1k78 n SER 349 Cb 0.61 -0.73 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 1k78 n SER 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k78 h GLN 351 N 4.25 0.00 0.00 0.00 4.20 -1.61 -2.02 115.11 119.92 1k78 h GLN 351 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1k78 h GLN 351 Cb 0.95 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1k78 h GLN 351 CO 0.00 0.00 -0.16 0.66 -0.67 0.00 0.00 178.83 178.66 1k78 h SER 352 N 0.00 0.00 0.00 1.46 4.64 -1.85 -3.31 113.55 114.49 1k78 h SER 352 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k78 h SER 352 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1k78 h SER 352 CO 0.00 0.16 -0.37 2.22 -0.87 0.00 0.00 176.83 177.96 1k78 n PHE 353 N -3.36 0.00 -3.68 4.77 1.16 -0.86 -4.65 117.46 110.84 1k78 n PHE 353 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.48 1k78 n PHE 353 Cb 0.37 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.13 1k78 n PHE 353 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1k78 s ILE 354 N -1.41 -0.04 0.19 1.97 2.07 -0.82 -1.28 121.20 121.89 1k78 s ILE 354 Ca 0.00 0.07 -0.19 0.00 -1.41 0.00 0.00 60.65 59.12 1k78 s ILE 354 Cb 0.01 -0.71 0.04 0.00 0.13 0.00 0.00 42.46 41.92 1k78 s ILE 354 CO 0.04 0.03 0.56 -0.94 -1.91 0.00 0.00 174.94 172.72 1k78 s SER 355 N 1.49 -0.32 0.43 4.50 1.04 -0.72 -3.77 113.70 116.34 1k78 s SER 355 Ca -0.10 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1k78 s SER 355 Cb -0.08 0.60 -0.09 0.00 0.10 0.00 0.00 66.02 66.55 1k78 s SER 355 CO -0.15 -1.06 1.06 0.26 0.98 0.00 0.00 173.24 174.33 1k78 s TRP 356 N -3.85 3.16 -0.92 5.02 0.52 -1.26 -0.34 118.94 121.27 1k78 s TRP 356 Ca 0.07 1.62 0.25 0.00 0.02 0.00 0.00 56.10 58.06 1k78 s TRP 356 Cb -0.01 -3.14 0.54 0.00 -1.15 0.00 0.00 33.47 29.71 1k78 s TRP 356 CO -0.04 -0.76 1.44 0.25 0.02 0.00 0.00 176.95 177.86 1k78 n THR 357 N -0.34 0.08 0.00 2.01 -2.24 -0.67 -4.84 114.28 108.27 1k78 n THR 357 Ca 0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k78 n THR 357 Cb 0.50 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1k78 n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k78 n GLY 358 N 1.46 0.03 3.27 3.38 0.00 -1.26 -4.91 105.19 107.16 1k78 n GLY 358 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1k78 n GLY 358 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k78 s ASP 359 N -2.00 6.19 1.67 1.61 2.15 -1.26 -5.00 116.67 120.03 1k78 s ASP 359 Ca 0.00 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 50.64 1k78 s ASP 359 Cb 0.00 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1k78 s ASP 359 CO 0.00 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 1k78 n GLY 360 N 4.41 3.44 2.14 2.66 0.00 -1.26 -1.55 105.19 115.03 1k78 n GLY 360 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1k78 n GLY 360 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k78 n TRP 361 N 14.00 2.85 -2.89 1.61 5.03 -1.26 -4.86 117.44 131.92 1k78 n TRP 361 Ca 0.00 -1.67 -0.40 0.00 3.03 0.00 0.00 57.50 58.47 1k78 n TRP 361 Cb 0.00 -0.87 -0.06 0.00 -1.03 0.00 0.00 31.31 29.35 1k78 n TRP 361 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1k78 s GLU 362 N -3.11 4.67 0.22 -0.99 2.12 -0.59 -1.85 118.70 119.16 1k78 s GLU 362 Ca 0.54 1.28 0.00 0.00 0.36 0.00 0.00 54.97 57.16 1k78 s GLU 362 Cb 0.45 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 1k78 s GLU 362 CO 0.11 0.50 0.11 -0.59 -0.54 0.00 0.00 175.26 174.85 1k78 s PHE 363 N -0.97 1.30 0.01 5.30 -0.71 0.11 -1.67 117.98 121.35 1k78 s PHE 363 Ca 0.39 -1.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 1k78 s PHE 363 Cb -0.24 -0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1k78 s PHE 363 CO 0.28 -0.49 -0.01 0.21 -1.34 0.00 0.00 175.22 173.87 1k78 s LYS 364 N -4.09 0.10 -1.03 1.99 2.20 0.54 -1.08 119.74 118.38 1k78 s LYS 364 Ca 0.37 -0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 55.69 1k78 s LYS 364 Cb 0.07 -0.00 0.22 0.00 -1.51 0.00 0.00 37.83 36.61 1k78 s LYS 364 CO 0.12 -0.01 1.08 -0.51 -0.36 0.00 0.00 175.35 175.67 1k78 s LEU 365 N -0.38 6.03 0.34 5.43 1.43 0.09 -1.75 118.68 129.87 1k78 s LEU 365 Ca -0.04 -3.01 0.11 0.00 -1.03 0.00 0.00 54.13 50.16 1k78 s LEU 365 Cb -0.03 -2.27 0.93 0.00 0.03 0.00 0.00 46.19 44.85 1k78 s LEU 365 CO -0.00 -0.56 1.74 0.28 0.23 0.00 0.00 176.35 178.03 1k78 h SER 366 N 7.37 0.63 -2.96 2.29 0.02 -1.49 -3.09 113.55 116.32 1k78 h SER 366 Ca 0.18 0.12 -0.60 0.00 -0.84 0.00 0.00 61.79 60.66 1k78 h SER 366 Cb 0.94 0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.11 1k78 h SER 366 CO 1.00 0.11 -0.80 -0.62 -1.14 0.00 0.00 176.83 175.37 1k78 s ASP 367 N -5.22 3.08 0.44 3.07 -1.08 -0.83 -4.99 116.67 111.14 1k78 s ASP 367 Ca -0.10 -2.76 0.17 0.00 -0.52 0.00 0.00 52.55 49.34 1k78 s ASP 367 Cb 0.27 -0.80 1.11 0.00 -1.46 0.00 0.00 42.92 42.03 1k78 s ASP 367 CO 0.80 -0.23 1.93 1.55 0.52 0.00 0.00 175.17 179.74 1k78 h PRO 368 N 6.39 0.34 -0.23 4.34 0.13 -1.80 -2.20 132.00 138.96 1k78 h PRO 368 Ca 0.09 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 1k78 h PRO 368 Cb 0.91 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1k78 h PRO 368 CO 0.43 0.22 -0.48 -0.44 -0.23 0.00 0.00 178.00 177.50 1k78 h ASP 369 N 0.35 0.68 -0.21 1.44 3.32 -1.94 -1.23 116.42 118.82 1k78 h ASP 369 Ca 0.35 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1k78 h ASP 369 Cb 0.87 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1k78 h ASP 369 CO -0.10 1.04 -0.27 -0.08 -1.72 0.00 0.00 179.24 178.12 1k78 h GLU 370 N 0.49 0.69 -0.49 3.56 4.57 -1.80 -0.06 114.58 121.54 1k78 h GLU 370 Ca 0.03 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 1k78 h GLU 370 Cb 1.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1k78 h GLU 370 CO 0.09 0.88 0.16 0.28 -1.18 0.00 0.00 179.01 179.24 1k78 h VAL 371 N 0.60 1.23 -0.64 0.32 2.07 -1.20 -1.23 116.25 117.39 1k78 h VAL 371 Ca 0.08 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1k78 h VAL 371 Cb 0.76 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1k78 h VAL 371 CO 0.06 0.28 0.19 0.00 0.02 0.00 0.00 177.57 178.12 1k78 h ALA 372 N 1.01 0.84 -0.16 1.67 0.00 -1.02 -0.71 119.26 120.90 1k78 h ALA 372 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1k78 h ALA 372 Cb 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1k78 h ALA 372 CO -0.01 0.52 -0.07 -0.09 0.00 0.00 0.00 179.25 179.61 1k78 h ARG 373 N 0.93 -0.04 -0.21 0.00 2.43 -0.59 -0.00 114.38 116.89 1k78 h ARG 373 Ca 0.21 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1k78 h ARG 373 Cb 0.31 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1k78 h ARG 373 CO -0.00 -0.03 -0.24 0.00 -1.51 0.00 0.00 179.97 178.19 1k78 h ARG 374 N -0.05 0.39 -0.34 0.20 3.08 -0.92 -0.48 114.38 116.27 1k78 h ARG 374 Ca 0.09 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1k78 h ARG 374 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1k78 h ARG 374 CO -0.19 0.61 0.12 2.35 -1.07 0.00 0.00 179.97 181.79 1k78 h TRP 375 N 0.35 0.52 -0.62 3.04 -0.00 -0.57 0.13 115.95 118.80 1k78 h TRP 375 Ca 0.06 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1k78 h TRP 375 Cb 0.61 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.59 1k78 h TRP 375 CO 0.02 0.50 0.38 0.78 -0.00 0.00 0.00 178.44 180.12 1k78 h GLY 376 N 0.39 0.89 0.96 2.65 0.00 -0.49 -0.53 103.07 106.95 1k78 h GLY 376 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1k78 h GLY 376 CO -0.01 0.36 0.13 1.70 0.00 0.00 0.00 176.54 178.72 1k78 h LYS 377 N 0.84 0.32 -0.97 4.80 3.64 -0.88 0.29 116.57 124.61 1k78 h LYS 377 Ca 0.22 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1k78 h LYS 377 Cb -0.03 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.66 1k78 h LYS 377 CO -0.04 0.28 0.63 -0.09 -2.27 0.00 0.00 179.45 177.95 1k78 h ARG 378 N 0.27 1.16 -0.33 1.90 9.65 -0.25 -2.34 114.38 124.45 1k78 h ARG 378 Ca 0.08 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1k78 h ARG 378 Cb 0.05 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1k78 h ARG 378 CO -0.01 0.77 0.00 1.63 2.80 0.00 0.00 179.97 185.15 1k78 n LYS 379 N -4.49 2.23 -3.54 0.20 4.76 -0.25 -4.96 118.16 112.11 1k78 n LYS 379 Ca 0.14 -1.85 -0.20 0.00 -2.87 0.00 0.00 58.31 53.52 1k78 n LYS 379 Cb 0.12 -1.46 0.06 0.00 -1.84 0.00 0.00 35.03 31.91 1k78 n LYS 379 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1k78 n ASN 380 N 1.07 -2.81 -3.77 4.39 4.05 0.46 -4.98 115.26 113.66 1k78 n ASN 380 Ca 0.18 -0.76 -0.29 0.00 0.45 0.00 0.00 54.58 54.16 1k78 n ASN 380 Cb 0.50 -4.52 -0.13 0.00 1.23 0.00 0.00 39.78 36.86 1k78 n ASN 380 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1k78 s LYS 381 N -5.51 1.55 0.60 1.20 -0.14 0.73 -4.98 119.74 113.19 1k78 s LYS 381 Ca 0.13 -2.29 0.30 0.00 -1.36 0.00 0.00 55.97 52.75 1k78 s LYS 381 Cb -0.03 -2.64 1.68 0.00 -1.68 0.00 0.00 37.83 35.16 1k78 s LYS 381 CO 0.78 -1.17 2.07 -1.00 -0.76 0.00 0.00 175.35 175.27 1k78 h PRO 382 N 6.50 0.00 -0.02 -1.68 0.13 -1.94 -1.97 132.00 133.02 1k78 h PRO 382 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1k78 h PRO 382 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1k78 h PRO 382 CO 0.55 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.95 1k78 n LYS 383 N -3.64 1.63 -1.76 0.86 4.01 -1.26 -4.93 118.16 113.07 1k78 n LYS 383 Ca 0.02 -0.92 -0.40 0.00 -0.51 0.00 0.00 58.31 56.50 1k78 n LYS 383 Cb 0.37 -1.47 0.02 0.00 -0.51 0.00 0.00 35.03 33.43 1k78 n LYS 383 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1k78 n MET 384 N 0.12 2.21 -4.03 1.97 1.56 -0.74 -4.99 117.12 113.22 1k78 n MET 384 Ca 0.19 0.79 -0.13 0.00 -0.27 0.00 0.00 57.70 58.27 1k78 n MET 384 Cb 0.34 -2.63 -0.03 0.00 2.15 0.00 0.00 33.22 33.06 1k78 n MET 384 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1k78 s ASN 385 N -0.50 0.74 0.29 6.12 2.20 -1.26 -4.79 114.94 117.73 1k78 s ASN 385 Ca 0.62 -1.42 -0.02 0.00 -0.94 0.00 0.00 52.86 51.11 1k78 s ASN 385 Cb -0.45 0.71 0.43 0.00 -2.00 0.00 0.00 41.25 39.94 1k78 s ASN 385 CO 0.57 -1.39 1.90 0.22 -2.94 0.00 0.00 177.10 175.45 1k78 h TYR 386 N 2.08 0.94 -0.83 1.54 3.20 -1.90 -1.97 116.97 120.02 1k78 h TYR 386 Ca -0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 1k78 h TYR 386 Cb 1.24 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1k78 h TYR 386 CO 1.49 0.68 0.49 0.93 -1.64 0.00 0.00 178.16 180.11 1k78 h GLU 387 N 0.94 1.13 -0.01 1.82 4.39 -1.98 0.10 114.58 120.97 1k78 h GLU 387 Ca 0.23 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.63 1k78 h GLU 387 Cb 0.09 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1k78 h GLU 387 CO -0.03 0.80 -0.85 0.87 -1.16 0.00 0.00 179.01 178.64 1k78 h LYS 388 N 1.14 0.25 -0.39 2.33 1.57 -1.87 -2.32 116.57 117.28 1k78 h LYS 388 Ca 0.30 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1k78 h LYS 388 Cb -0.03 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1k78 h LYS 388 CO -0.05 0.96 0.04 1.25 -0.57 0.00 0.00 179.45 181.08 1k78 h LEU 389 N 0.15 0.65 -0.90 2.94 5.85 -1.07 -1.46 115.31 121.47 1k78 h LEU 389 Ca -0.05 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1k78 h LEU 389 Cb 1.46 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1k78 h LEU 389 CO 0.13 0.76 0.58 0.28 -0.34 0.00 0.00 178.44 179.86 1k78 h SER 390 N 0.51 0.98 -0.50 1.25 0.02 -0.74 -0.92 113.55 114.14 1k78 h SER 390 Ca 0.12 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1k78 h SER 390 Cb 0.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1k78 h SER 390 CO 0.01 0.68 0.02 -0.09 -1.14 0.00 0.00 176.83 176.31 1k78 h ARG 391 N 1.15 0.93 -0.45 3.45 9.65 -1.15 -1.08 114.38 126.87 1k78 h ARG 391 Ca 0.35 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1k78 h ARG 391 Cb -0.03 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1k78 h ARG 391 CO -0.11 0.91 0.24 0.78 2.80 0.00 0.00 179.97 184.59 1k78 h GLY 392 N 1.00 0.66 1.13 2.80 0.00 -0.13 -0.58 103.07 107.95 1k78 h GLY 392 Ca 0.16 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 1k78 h GLY 392 CO 0.02 0.27 -0.61 1.41 0.00 0.00 0.00 176.54 177.63 1k78 h LEU 393 N 0.63 0.94 -1.70 3.11 3.38 -0.44 -2.88 115.31 118.34 1k78 h LEU 393 Ca 0.16 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1k78 h LEU 393 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1k78 h LEU 393 CO -0.03 1.34 0.02 0.03 0.09 0.00 0.00 178.44 179.89 1k78 h ARG 394 N 0.58 0.20 0.00 1.13 3.08 -0.65 -0.62 114.38 118.11 1k78 h ARG 394 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1k78 h ARG 394 Cb 1.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1k78 h ARG 394 CO 0.13 0.21 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.27 1k78 h TYR 395 N 0.20 0.00 0.00 3.04 5.03 -0.90 -2.08 116.97 122.27 1k78 h TYR 395 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1k78 h TYR 395 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.39 1k78 h TYR 395 CO 0.00 0.05 -0.30 1.88 -1.32 0.00 0.00 178.16 178.47 1k78 h TYR 396 N 0.00 0.00 -0.81 -3.82 0.05 -1.09 -3.39 116.97 107.91 1k78 h TYR 396 Ca -0.00 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.95 1k78 h TYR 396 Cb 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.76 1k78 h TYR 396 CO 0.00 0.00 0.33 1.88 -1.05 0.00 0.00 178.16 179.32 1k78 h TYR 397 N 0.00 0.55 -0.65 4.88 0.05 -1.33 -1.84 116.97 118.63 1k78 h TYR 397 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1k78 h TYR 397 Cb 0.75 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1k78 h TYR 397 CO 0.00 0.01 0.00 -0.40 -1.05 0.00 0.00 178.16 176.72 1k78 n ASP 398 N -5.03 4.21 -0.89 3.88 3.85 -1.26 -3.98 116.55 117.33 1k78 n ASP 398 Ca 0.17 -2.25 0.09 0.00 -0.71 0.00 0.00 54.79 52.09 1k78 n ASP 398 Cb 0.51 -0.52 0.18 0.00 -1.35 0.00 0.00 41.12 39.93 1k78 n ASP 398 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1k78 n LYS 399 N 1.27 2.31 -3.66 0.11 4.76 -0.69 -4.95 118.16 117.30 1k78 n LYS 399 Ca 0.24 -2.07 -0.25 0.00 -2.87 0.00 0.00 58.31 53.36 1k78 n LYS 399 Cb 0.74 -1.39 0.07 0.00 -1.84 0.00 0.00 35.03 32.61 1k78 n LYS 399 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1k78 n ASN 400 N 1.05 -6.06 -0.04 4.39 5.15 -1.23 -4.89 115.26 113.63 1k78 n ASN 400 Ca 0.15 -0.59 -0.09 0.00 -0.60 0.00 0.00 54.58 53.46 1k78 n ASN 400 Cb 0.49 -4.78 -0.03 0.00 -0.53 0.00 0.00 39.78 34.94 1k78 n ASN 400 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1k78 n ILE 401 N -4.93 0.82 -3.87 -1.44 5.41 -1.22 -3.53 119.36 110.59 1k78 n ILE 401 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 1k78 n ILE 401 Cb 0.55 -1.72 -0.13 0.00 -0.71 0.00 0.00 39.64 37.63 1k78 n ILE 401 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1k78 s ILE 402 N -2.24 0.01 0.17 1.39 1.01 -1.23 -1.17 121.20 119.14 1k78 s ILE 402 Ca -0.13 -0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.52 1k78 s ILE 402 Cb 0.04 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.40 1k78 s ILE 402 CO 0.18 -0.05 -0.21 -1.00 0.00 0.00 0.00 174.94 173.86 1k78 s HIS 403 N -0.14 2.01 -0.07 3.97 3.76 -0.12 -3.20 115.29 121.51 1k78 s HIS 403 Ca -0.02 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.38 1k78 s HIS 403 Cb -0.01 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 1k78 s HIS 403 CO -0.00 0.38 0.25 0.21 -0.85 0.00 0.00 174.74 174.73 1k78 s LYS 404 N -2.60 3.64 -0.15 1.40 2.20 -1.26 0.11 119.74 123.08 1k78 s LYS 404 Ca 0.16 0.09 -0.21 0.00 -0.36 0.00 0.00 55.97 55.65 1k78 s LYS 404 Cb -0.07 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1k78 s LYS 404 CO 0.07 0.74 0.62 0.99 -0.36 0.00 0.00 175.35 177.41 1k78 s THR 405 N -1.06 5.06 0.70 3.43 2.01 0.05 -4.92 115.64 120.90 1k78 s THR 405 Ca 0.19 1.20 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 1k78 s THR 405 Cb -0.14 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1k78 s THR 405 CO 0.08 0.18 1.07 0.00 -0.69 0.00 0.00 174.62 175.26 1k78 s ALA 406 N 1.42 2.77 0.00 7.40 0.00 -1.26 -4.17 121.76 127.92 1k78 s ALA 406 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1k78 s ALA 406 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1k78 s ALA 406 CO 0.12 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1k78 n GLY 407 N -2.50 1.25 3.61 0.00 0.00 -1.26 -5.00 105.19 101.29 1k78 n GLY 407 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1k78 n GLY 407 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k78 s LYS 408 N -0.50 1.48 0.22 1.61 0.00 -1.26 -5.17 119.74 116.12 1k78 s LYS 408 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 55.97 55.20 1k78 s LYS 408 Cb 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 37.83 38.35 1k78 s LYS 408 CO 0.00 -0.67 0.53 1.03 0.00 0.00 0.00 175.35 176.24 1k78 s ARG 409 N -3.80 3.77 -1.74 1.78 3.00 -1.26 -4.46 118.95 116.22 1k78 s ARG 409 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 55.73 56.00 1k78 s ARG 409 Cb -0.03 -2.67 0.00 0.00 0.00 0.00 0.00 34.95 32.25 1k78 s ARG 409 CO -0.04 0.33 0.00 0.66 0.00 0.00 0.00 175.30 176.24 1k78 n TYR 410 N -0.17 0.00 -4.32 -0.53 0.53 -1.26 -4.88 117.16 106.53 1k78 n TYR 410 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.54 1k78 n TYR 410 Cb 0.52 -3.14 -0.14 0.00 -1.03 0.00 0.00 39.34 35.56 1k78 n TYR 410 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1k78 s VAL 411 N -2.41 3.37 0.39 -0.72 1.01 -1.26 -0.73 120.40 120.04 1k78 s VAL 411 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1k78 s VAL 411 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1k78 s VAL 411 CO 0.00 0.47 0.11 -0.31 0.00 0.00 0.00 175.10 175.38 1k78 s TYR 412 N 0.84 1.81 -0.11 5.22 1.51 -0.24 -0.77 117.35 125.61 1k78 s TYR 412 Ca -0.02 -1.21 -0.05 0.00 -1.01 0.00 0.00 57.07 54.77 1k78 s TYR 412 Cb -0.15 -1.17 0.05 0.00 -0.11 0.00 0.00 41.96 40.58 1k78 s TYR 412 CO 0.01 -0.24 0.26 0.50 -1.11 0.00 0.00 175.55 174.97 1k78 s ARG 413 N -3.76 0.21 0.11 -0.62 3.52 0.12 0.07 118.95 118.60 1k78 s ARG 413 Ca 0.27 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 56.12 1k78 s ARG 413 Cb 0.04 -0.11 -0.07 0.00 -1.56 0.00 0.00 34.95 33.25 1k78 s ARG 413 CO 0.15 -0.17 1.19 -0.06 -0.81 0.00 0.00 175.30 175.59 1k78 s PHE 414 N 1.36 3.45 -0.17 5.12 0.08 -0.77 -0.94 117.98 126.11 1k78 s PHE 414 Ca -0.09 1.36 0.02 0.00 0.12 0.00 0.00 56.93 58.35 1k78 s PHE 414 Cb -0.10 -3.41 0.03 0.00 -0.57 0.00 0.00 43.02 38.97 1k78 s PHE 414 CO -0.09 -1.20 0.81 1.33 -0.10 0.00 0.00 175.22 175.98 1k78 n VAL 415 N 3.33 0.54 -2.19 -0.44 0.24 -0.32 -4.70 118.33 114.78 1k78 n VAL 415 Ca 0.07 -0.77 -0.27 0.00 -2.04 0.00 0.00 64.34 61.33 1k78 n VAL 415 Cb 0.46 0.75 0.06 0.00 -1.47 0.00 0.00 33.84 33.63 1k78 n VAL 415 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k78 n ASP 417 N -2.87 3.63 0.20 0.00 4.64 -1.26 -4.76 116.55 116.14 1k78 n ASP 417 Ca 0.07 -2.78 0.04 0.00 -1.38 0.00 0.00 54.79 50.74 1k78 n ASP 417 Cb 0.59 -1.61 0.42 0.00 -1.04 0.00 0.00 41.12 39.48 1k78 n ASP 417 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1k78 h LEU 418 N 14.42 0.00 -0.68 -2.67 3.38 -1.94 -2.93 115.31 124.90 1k78 h LEU 418 Ca 0.37 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1k78 h LEU 418 Cb 0.83 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1k78 h LEU 418 CO 1.53 0.32 0.41 -0.61 0.09 0.00 0.00 178.44 180.17 1k78 h GLN 419 N 0.00 0.76 -0.36 1.13 4.15 -1.86 0.41 115.11 119.34 1k78 h GLN 419 Ca -0.00 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 1k78 h GLN 419 Cb 0.60 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1k78 h GLN 419 CO 0.04 0.51 -0.28 0.77 -1.93 0.00 0.00 178.83 177.94 1k78 h SER 420 N 0.79 0.79 -0.02 -0.69 0.02 -1.83 0.39 113.55 113.00 1k78 h SER 420 Ca 0.29 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1k78 h SER 420 Cb 0.08 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1k78 h SER 420 CO -0.13 1.02 -0.09 0.25 -1.14 0.00 0.00 176.83 176.73 1k78 h LEU 421 N 0.65 0.12 0.00 5.07 5.85 -1.21 -3.34 115.31 122.45 1k78 h LEU 421 Ca 0.08 -0.65 -0.22 0.00 0.84 0.00 0.00 57.88 57.93 1k78 h LEU 421 Cb 0.80 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1k78 h LEU 421 CO 0.07 0.75 -1.09 -0.07 -0.34 0.00 0.00 178.44 177.75 1k78 h LEU 422 N -0.50 0.00 0.00 2.25 3.38 -0.26 -3.48 115.31 116.69 1k78 h LEU 422 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k78 h LEU 422 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1k78 h LEU 422 CO 0.02 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1k78 n GLY 423 N 1.38 0.55 3.25 0.83 0.00 0.14 -5.05 105.19 106.28 1k78 n GLY 423 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1k78 n GLY 423 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k78 s TYR 424 N -2.00 -0.16 0.78 1.61 1.51 -1.17 -5.05 117.35 112.87 1k78 s TYR 424 Ca 0.00 0.17 -0.12 0.00 -1.01 0.00 0.00 57.07 56.11 1k78 s TYR 424 Cb 0.00 0.10 0.06 0.00 -0.11 0.00 0.00 41.96 42.01 1k78 s TYR 424 CO 0.00 -0.44 1.16 0.95 -1.11 0.00 0.00 175.55 176.11 1k78 s THR 425 N -1.78 2.36 0.19 -0.71 -4.23 -1.26 -4.22 115.64 106.00 1k78 s THR 425 Ca -0.10 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.41 1k78 s THR 425 Cb -0.04 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.81 1k78 s THR 425 CO 0.02 -0.15 1.79 -0.65 -0.54 0.00 0.00 174.62 175.09 1k78 h PRO 426 N -0.95 0.98 -0.21 3.99 0.11 -1.99 -1.39 132.00 132.53 1k78 h PRO 426 Ca -0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.51 1k78 h PRO 426 Cb 1.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1k78 h PRO 426 CO 0.65 0.76 0.11 0.93 -0.21 0.00 0.00 178.00 180.24 1k78 h GLU 427 N 0.96 0.30 -0.57 1.05 3.07 -1.93 0.35 114.58 117.80 1k78 h GLU 427 Ca 0.24 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1k78 h GLU 427 Cb 0.08 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 1k78 h GLU 427 CO -0.03 0.31 0.36 0.93 -1.40 0.00 0.00 179.01 179.18 1k78 h GLU 428 N 0.22 0.76 -0.39 2.33 5.08 -1.90 -0.07 114.58 120.61 1k78 h GLU 428 Ca 0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1k78 h GLU 428 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1k78 h GLU 428 CO -0.01 0.53 0.09 1.25 -1.00 0.00 0.00 179.01 179.87 1k78 h LEU 429 N 0.77 0.60 -0.42 1.33 7.12 -0.94 -0.98 115.31 122.80 1k78 h LEU 429 Ca 0.21 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.99 1k78 h LEU 429 Cb -0.06 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 39.89 1k78 h LEU 429 CO -0.04 0.69 0.27 0.45 -0.13 0.00 0.00 178.44 179.67 1k78 h HIS 430 N 0.49 0.51 -0.49 1.25 3.86 -0.03 -2.11 115.15 118.63 1k78 h HIS 430 Ca 0.12 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1k78 h HIS 430 Cb 0.32 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1k78 h HIS 430 CO 0.02 0.31 0.25 0.00 0.86 0.00 0.00 177.93 179.37 1k78 h ALA 431 N 1.17 0.63 0.00 2.45 0.00 -0.75 -1.26 119.26 121.49 1k78 h ALA 431 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k78 h ALA 431 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1k78 h ALA 431 CO -0.05 -0.09 -0.02 0.52 0.00 0.00 0.00 179.25 179.61 1k78 h MET 432 N 0.50 0.00 -0.36 0.00 2.07 -0.68 -2.62 114.93 113.84 1k78 h MET 432 Ca 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 1k78 h MET 432 Cb 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1k78 h MET 432 CO -0.15 0.02 0.00 1.28 1.07 0.00 0.00 176.91 179.13 1k78 n LEU 433 N -3.20 3.28 -3.68 1.22 4.32 -0.56 -4.99 117.00 113.38 1k78 n LEU 433 Ca -0.02 -2.25 -0.22 0.00 -0.02 0.00 0.00 56.01 53.50 1k78 n LEU 433 Cb 0.15 -0.33 0.04 0.00 -1.62 0.00 0.00 43.42 41.67 1k78 n LEU 433 CO 0.24 0.73 -0.00 -0.67 -1.22 0.00 0.00 177.39 176.46 1k78 n ASP 434 N 0.35 -1.98 -4.81 -1.43 -0.08 -0.71 -4.98 116.55 102.91 1k78 n ASP 434 Ca 0.15 -0.77 -0.38 0.00 -1.51 0.00 0.00 54.79 52.28 1k78 n ASP 434 Cb 0.56 -4.24 -0.06 0.00 2.34 0.00 0.00 41.12 39.72 1k78 n ASP 434 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k78 s VAL 435 N -3.56 5.03 -2.73 5.18 1.01 -0.75 -5.05 120.40 119.53 1k78 s VAL 435 Ca 0.11 0.88 0.26 0.00 0.00 0.00 0.00 61.98 63.23 1k78 s VAL 435 Cb -0.05 -3.74 0.39 0.00 0.00 0.00 0.00 36.38 32.97 1k78 s VAL 435 CO 0.80 0.54 1.53 2.29 0.00 0.00 0.00 175.10 180.25