#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k94 h VAL 354 N 0.00 1.13 0.00 -3.33 3.04 -1.98 -1.17 116.25 113.94 1k94 h VAL 354 Ca 0.00 -0.98 -0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1k94 h VAL 354 Cb 0.00 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1k94 h VAL 354 CO 0.00 0.27 -0.16 1.88 -1.01 0.00 0.00 177.57 178.55 1k94 h TYR 355 N 0.00 0.00 -0.42 3.17 -1.99 -1.99 -1.20 116.97 114.54 1k94 h TYR 355 Ca -0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 1k94 h TYR 355 Cb 0.51 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 1k94 h TYR 355 CO 0.00 0.16 -0.14 1.15 -0.00 0.00 0.00 178.16 179.33 1k94 h THR 356 N 0.00 1.28 -0.45 -2.88 2.02 -1.65 -0.38 112.91 110.85 1k94 h THR 356 Ca -0.00 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 1k94 h THR 356 Cb 0.69 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1k94 h THR 356 CO 0.02 0.43 -0.11 1.88 0.37 0.00 0.00 175.52 178.11 1k94 h TYR 357 N 0.66 0.89 -0.13 3.16 0.99 -1.27 -1.25 116.97 120.02 1k94 h TYR 357 Ca 0.10 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1k94 h TYR 357 Cb 0.69 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.19 1k94 h TYR 357 CO 0.05 0.87 0.07 0.35 -0.00 0.00 0.00 178.16 179.50 1k94 h PHE 358 N 0.73 0.18 0.00 4.88 3.57 -0.94 -2.47 116.94 122.89 1k94 h PHE 358 Ca 0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1k94 h PHE 358 Cb 0.60 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1k94 h PHE 358 CO 0.03 0.19 -0.11 0.66 -2.23 0.00 0.00 178.31 176.85 1k94 h SER 359 N 0.11 0.00 1.02 0.41 4.64 -0.75 0.12 113.55 119.10 1k94 h SER 359 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1k94 h SER 359 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1k94 h SER 359 CO -0.01 0.11 -0.38 0.00 -0.87 0.00 0.00 176.83 175.69 1k94 h ALA 360 N 1.89 0.92 0.00 5.18 0.00 -0.77 -3.30 119.26 123.17 1k94 h ALA 360 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1k94 h ALA 360 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k94 h ALA 360 CO 0.01 0.47 -0.70 1.33 0.00 0.00 0.00 179.25 180.37 1k94 n VAL 361 N -3.42 0.00 -1.69 0.00 0.24 -0.94 -5.03 118.33 107.49 1k94 n VAL 361 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1k94 n VAL 361 Cb 0.55 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1k94 n VAL 361 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k94 n ALA 362 N -1.38 1.13 -1.22 2.33 0.00 -0.01 -4.92 120.51 116.44 1k94 n ALA 362 Ca 0.01 0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.59 1k94 n ALA 362 Cb 0.17 -2.23 0.21 0.00 0.00 0.00 0.00 19.45 17.59 1k94 n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k94 n GLY 363 N 0.84 -2.44 0.00 0.00 0.00 0.46 -4.83 105.19 99.22 1k94 n GLY 363 Ca 0.06 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1k94 n GLY 363 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k94 n GLN 364 N -4.16 0.06 -0.22 1.61 1.13 -1.26 -1.52 117.38 113.01 1k94 n GLN 364 Ca 0.13 0.23 0.11 0.00 -1.94 0.00 0.00 57.00 55.53 1k94 n GLN 364 Cb 0.50 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.62 1k94 n GLN 364 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1k94 n ASP 365 N -1.44 2.98 -0.49 1.08 5.68 -1.26 -4.93 116.55 118.17 1k94 n ASP 365 Ca 0.04 -1.94 -0.06 0.00 -0.50 0.00 0.00 54.79 52.33 1k94 n ASP 365 Cb 0.15 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 39.81 1k94 n ASP 365 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k94 n GLY 366 N 1.41 0.85 3.44 6.12 0.00 -0.58 -5.01 105.19 111.42 1k94 n GLY 366 Ca 0.19 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1k94 n GLY 366 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k94 s GLU 367 N -2.23 1.64 0.04 1.61 2.02 -1.26 -4.29 118.70 116.23 1k94 s GLU 367 Ca 0.00 -1.91 0.06 0.00 0.02 0.00 0.00 54.97 53.14 1k94 s GLU 367 Cb 0.00 -0.79 -0.02 0.00 0.10 0.00 0.00 34.13 33.42 1k94 s GLU 367 CO 0.00 -0.22 -0.19 0.14 0.02 0.00 0.00 175.26 175.02 1k94 s VAL 368 N -3.34 1.49 0.53 2.63 -7.23 -0.25 -0.40 120.40 113.83 1k94 s VAL 368 Ca 0.36 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1k94 s VAL 368 Cb 0.08 -1.31 0.10 0.00 0.56 0.00 0.00 36.38 35.81 1k94 s VAL 368 CO 0.15 0.15 0.73 -0.90 -0.31 0.00 0.00 175.10 174.93 1k94 n ASP 369 N 1.89 1.50 -0.29 4.85 3.85 -1.26 -0.99 116.55 126.11 1k94 n ASP 369 Ca -0.17 -2.15 0.05 0.00 -0.71 0.00 0.00 54.79 51.82 1k94 n ASP 369 Cb 0.54 -0.42 0.20 0.00 -1.35 0.00 0.00 41.12 40.08 1k94 n ASP 369 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1k94 h ALA 370 N -0.12 1.22 -0.31 2.12 0.00 -1.86 -0.56 119.26 119.76 1k94 h ALA 370 Ca -0.24 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1k94 h ALA 370 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k94 h ALA 370 CO 0.31 -0.04 -0.42 1.49 0.00 0.00 0.00 179.25 180.59 1k94 h GLU 371 N 0.66 0.78 -0.11 0.00 4.22 -1.94 -1.42 114.58 116.76 1k94 h GLU 371 Ca 0.44 -0.42 -0.15 0.00 0.08 0.00 0.00 59.36 59.31 1k94 h GLU 371 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1k94 h GLU 371 CO -0.33 1.05 -0.57 0.93 -2.18 0.00 0.00 179.01 177.92 1k94 h GLU 372 N 0.63 0.35 -0.54 1.92 5.08 -1.80 -2.35 114.58 117.87 1k94 h GLU 372 Ca 0.05 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1k94 h GLU 372 Cb 0.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1k94 h GLU 372 CO 0.09 0.82 -0.05 1.25 -1.00 0.00 0.00 179.01 180.13 1k94 h LEU 373 N 0.27 0.97 -0.57 1.33 5.85 -0.99 -1.37 115.31 120.81 1k94 h LEU 373 Ca 0.00 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1k94 h LEU 373 Cb 1.07 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1k94 h LEU 373 CO 0.09 1.07 0.32 -0.61 -0.34 0.00 0.00 178.44 178.98 1k94 h GLN 374 N 0.86 0.60 -0.53 1.25 4.15 -1.03 0.29 115.11 120.70 1k94 h GLN 374 Ca 0.15 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 1k94 h GLN 374 Cb 0.60 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1k94 h GLN 374 CO 0.04 0.40 0.03 0.00 -1.93 0.00 0.00 178.83 177.36 1k94 h ARG 375 N 0.62 0.92 -0.13 1.69 3.08 -1.20 -1.68 114.38 117.68 1k94 h ARG 375 Ca 0.24 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1k94 h ARG 375 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1k94 h ARG 375 CO -0.14 0.93 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 1k94 h LEU 377 N 0.11 0.06 -0.67 0.00 3.38 -0.88 -1.46 115.31 115.85 1k94 h LEU 377 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1k94 h LEU 377 Cb 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1k94 h LEU 377 CO -0.01 0.36 -0.08 0.74 0.09 0.00 0.00 178.44 179.54 1k94 h THR 378 N 0.06 1.26 0.00 0.22 2.02 -1.08 -2.75 112.91 112.63 1k94 h THR 378 Ca 0.01 -1.20 -0.11 0.00 0.77 0.00 0.00 66.41 65.88 1k94 h THR 378 Cb 0.55 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1k94 h THR 378 CO 0.04 0.42 -0.51 1.56 0.37 0.00 0.00 175.52 177.40 1k94 h GLN 379 N 0.85 0.00 0.00 6.66 1.08 -0.99 -3.24 115.11 119.48 1k94 h GLN 379 Ca 0.14 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1k94 h GLN 379 Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1k94 h GLN 379 CO 0.04 0.51 -0.21 0.66 -0.95 0.00 0.00 178.83 178.88 1k94 h SER 380 N 0.00 0.00 -0.26 1.46 4.64 -0.97 -3.47 113.55 114.96 1k94 h SER 380 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1k94 h SER 380 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1k94 h SER 380 CO 0.07 0.21 -0.09 0.61 -0.87 0.00 0.00 176.83 176.75 1k94 n GLY 381 N -0.56 0.74 0.25 -0.77 0.00 -1.21 -4.90 105.19 98.74 1k94 n GLY 381 Ca -0.02 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1k94 n GLY 381 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k94 h ILE 382 N 0.00 0.54 0.00 -0.61 6.09 -1.88 -2.48 117.51 119.17 1k94 h ILE 382 Ca -0.10 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 1k94 h ILE 382 Cb 0.35 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1k94 h ILE 382 CO 0.15 0.15 -0.72 -0.55 -3.07 0.00 0.00 178.15 174.11 1k94 h ASN 383 N 0.00 0.00 0.00 2.19 -1.07 -1.88 -3.49 115.58 111.33 1k94 h ASN 383 Ca -0.00 -0.17 0.00 0.00 0.07 0.00 0.00 56.30 56.20 1k94 h ASN 383 Cb 0.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1k94 h ASN 383 CO 0.02 0.09 0.00 0.61 0.07 0.00 0.00 177.43 178.22 1k94 n GLY 384 N 1.30 4.06 0.28 9.14 0.00 -0.94 0.01 105.19 119.05 1k94 n GLY 384 Ca 0.02 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1k94 n GLY 384 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k94 n THR 385 N 0.00 0.00 -1.71 2.61 -2.24 -1.26 -4.87 114.28 106.82 1k94 n THR 385 Ca 0.00 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1k94 n THR 385 Cb 0.00 0.21 0.17 0.00 -2.10 0.00 0.00 70.33 68.61 1k94 n THR 385 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1k94 s TYR 386 N -2.22 1.79 0.69 4.78 4.12 0.10 -5.05 117.35 121.57 1k94 s TYR 386 Ca 0.34 0.52 -0.11 0.00 0.02 0.00 0.00 57.07 57.83 1k94 s TYR 386 Cb 0.21 -3.77 0.00 0.00 -1.52 0.00 0.00 41.96 36.88 1k94 s TYR 386 CO 0.41 -2.67 1.08 -1.54 0.02 0.00 0.00 175.55 172.86 1k94 s SER 387 N -4.51 5.59 1.11 2.29 1.04 -1.26 -4.87 113.70 113.09 1k94 s SER 387 Ca 0.70 1.19 -0.17 0.00 0.48 0.00 0.00 55.95 58.14 1k94 s SER 387 Cb -0.08 -2.03 0.25 0.00 0.10 0.00 0.00 66.02 64.26 1k94 s SER 387 CO 0.53 -1.25 1.15 -2.84 0.98 0.00 0.00 173.24 171.81 1k94 s PRO 388 N -5.33 -0.51 0.18 4.02 0.02 -1.26 -4.83 135.00 127.30 1k94 s PRO 388 Ca 0.58 -0.04 -0.16 0.00 0.02 0.00 0.00 61.00 61.39 1k94 s PRO 388 Cb -0.11 -1.68 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 1k94 s PRO 388 CO 0.52 -3.24 0.62 -0.06 -0.33 0.00 0.00 177.00 174.51 1k94 s PHE 389 N -3.19 3.61 0.75 6.54 0.08 -1.26 -4.80 117.98 119.71 1k94 s PHE 389 Ca 0.70 1.18 -0.11 0.00 0.12 0.00 0.00 56.93 58.82 1k94 s PHE 389 Cb -0.10 -2.46 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1k94 s PHE 389 CO 0.55 0.38 1.08 -1.54 -0.10 0.00 0.00 175.22 175.59 1k94 s SER 390 N -1.73 4.88 0.27 1.36 1.04 -1.26 -4.87 113.70 113.39 1k94 s SER 390 Ca 0.40 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 1k94 s SER 390 Cb -0.15 -2.34 0.33 0.00 0.10 0.00 0.00 66.02 63.96 1k94 s SER 390 CO 0.20 -1.75 1.90 0.25 0.98 0.00 0.00 173.24 174.81 1k94 h LEU 391 N -0.93 1.01 -0.79 2.42 6.46 -1.97 -1.96 115.31 119.54 1k94 h LEU 391 Ca -0.45 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1k94 h LEU 391 Cb 1.24 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.87 1k94 h LEU 391 CO 0.57 0.80 0.43 -0.08 -0.62 0.00 0.00 178.44 179.53 1k94 h GLU 392 N 1.14 1.11 -0.59 1.25 4.57 -1.98 -0.01 114.58 120.08 1k94 h GLU 392 Ca 0.29 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.23 1k94 h GLU 392 Cb 0.01 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 1k94 h GLU 392 CO -0.05 0.83 -0.04 1.15 -1.18 0.00 0.00 179.01 179.72 1k94 h THR 393 N 1.10 1.27 -0.23 0.32 2.02 -1.81 -2.55 112.91 113.03 1k94 h THR 393 Ca 0.28 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 1k94 h THR 393 Cb 0.05 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1k94 h THR 393 CO -0.04 0.43 -0.25 0.00 0.37 0.00 0.00 175.52 176.03 1k94 h ARG 395 N 0.38 0.85 0.00 0.00 3.08 -0.72 -2.21 114.38 115.76 1k94 h ARG 395 Ca 0.06 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 1k94 h ARG 395 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1k94 h ARG 395 CO 0.05 0.78 -0.50 -0.84 -1.07 0.00 0.00 179.97 178.39 1k94 h ILE 396 N 0.76 0.98 -0.79 2.04 3.07 -1.29 -1.59 117.51 120.69 1k94 h ILE 396 Ca 0.17 -2.03 -0.04 0.00 1.55 0.00 0.00 64.86 64.51 1k94 h ILE 396 Cb 0.29 2.24 -0.03 0.00 -0.27 0.00 0.00 36.82 39.05 1k94 h ILE 396 CO -0.00 0.49 0.32 0.24 -1.05 0.00 0.00 178.15 178.14 1k94 h MET 397 N 0.00 1.18 -0.22 0.16 2.86 -1.02 0.11 114.93 118.00 1k94 h MET 397 Ca -0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1k94 h MET 397 Cb 1.20 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1k94 h MET 397 CO 0.06 0.95 -0.05 0.82 1.06 0.00 0.00 176.91 179.76 1k94 h ILE 398 N 1.14 1.28 -0.97 -1.22 2.04 -1.21 -3.11 117.51 115.47 1k94 h ILE 398 Ca 0.26 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.17 1k94 h ILE 398 Cb 0.21 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1k94 h ILE 398 CO -0.02 0.31 0.63 0.00 0.00 0.00 0.00 178.15 179.07 1k94 h ALA 399 N 0.75 1.45 -0.70 1.87 0.00 -0.89 -0.82 119.26 120.92 1k94 h ALA 399 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1k94 h ALA 399 Cb 0.49 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1k94 h ALA 399 CO 0.02 0.40 0.47 1.98 0.00 0.00 0.00 179.25 182.12 1k94 h MET 400 N 1.11 0.48 -0.19 0.00 1.85 -0.91 -2.68 114.93 114.60 1k94 h MET 400 Ca 0.42 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.48 1k94 h MET 400 Cb 0.19 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1k94 h MET 400 CO -0.16 0.32 0.00 1.28 -0.40 0.00 0.00 176.91 177.95 1k94 n LEU 401 N -4.48 2.61 -3.34 3.39 4.77 -0.83 -4.83 117.00 114.29 1k94 n LEU 401 Ca 0.12 -2.12 -0.37 0.00 -0.03 0.00 0.00 56.01 53.61 1k94 n LEU 401 Cb 0.41 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1k94 n LEU 401 CO 0.33 0.64 3.17 -0.67 -1.33 0.00 0.00 177.39 179.53 1k94 n ASP 402 N -0.03 7.62 0.31 -1.43 2.03 -0.38 -4.66 116.55 120.01 1k94 n ASP 402 Ca 0.08 -2.57 0.17 0.00 0.52 0.00 0.00 54.79 52.99 1k94 n ASP 402 Cb 0.40 -1.50 0.98 0.00 -0.72 0.00 0.00 41.12 40.28 1k94 n ASP 402 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1k94 h ARG 403 N 5.34 0.00 -0.46 -0.67 3.08 -1.88 -1.31 114.38 118.48 1k94 h ARG 403 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.84 1k94 h ARG 403 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1k94 h ARG 403 CO 1.76 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 180.26 1k94 n ASP 404 N -3.64 4.42 -4.12 7.04 5.75 -1.26 -5.00 116.55 119.74 1k94 n ASP 404 Ca -0.03 -2.68 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 1k94 n ASP 404 Cb 0.09 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 1k94 n ASP 404 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1k94 n HIS 405 N 0.37 -1.27 0.53 2.11 8.25 -0.50 -4.87 115.22 119.84 1k94 n HIS 405 Ca 0.23 0.16 0.06 0.00 -0.26 0.00 0.00 57.72 57.91 1k94 n HIS 405 Cb 0.89 -2.63 0.01 0.00 1.12 0.00 0.00 29.99 29.38 1k94 n HIS 405 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1k94 n THR 406 N -4.81 0.00 -1.09 1.59 -2.24 -1.26 -4.96 114.28 101.51 1k94 n THR 406 Ca -0.15 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 1k94 n THR 406 Cb 0.56 1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.96 1k94 n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k94 n GLY 407 N 0.90 0.53 3.23 3.38 0.00 -1.26 -4.97 105.19 107.00 1k94 n GLY 407 Ca 0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1k94 n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k94 s LYS 408 N -1.57 1.12 -0.17 1.61 1.02 -1.26 -4.73 119.74 115.75 1k94 s LYS 408 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1k94 s LYS 408 Cb 0.00 -0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 1k94 s LYS 408 CO 0.00 -0.20 -0.16 1.41 -0.92 0.00 0.00 175.35 175.48 1k94 s MET 409 N -3.98 3.14 0.74 1.68 -2.45 -0.16 -4.81 119.30 113.46 1k94 s MET 409 Ca 0.27 -0.77 -0.02 0.00 -1.25 0.00 0.00 55.69 53.92 1k94 s MET 409 Cb 0.07 -2.66 0.13 0.00 1.25 0.00 0.00 34.83 33.62 1k94 s MET 409 CO 0.05 -0.11 1.02 0.20 1.05 0.00 0.00 175.02 177.23 1k94 s GLY 410 N 1.11 1.76 0.16 2.11 0.00 -1.26 -1.09 107.32 110.12 1k94 s GLY 410 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 44.72 42.93 1k94 s GLY 410 CO -0.06 -1.06 1.74 -2.75 0.00 0.00 0.00 173.10 170.97 1k94 h PHE 411 N -0.62 0.18 -0.42 1.90 3.57 -2.00 -0.57 116.94 118.99 1k94 h PHE 411 Ca -0.38 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.19 1k94 h PHE 411 Cb 1.27 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1k94 h PHE 411 CO -0.25 0.06 0.18 -0.97 -2.23 0.00 0.00 178.31 175.10 1k94 h ASN 412 N 0.24 0.22 -0.50 0.41 -0.00 -1.97 -0.02 115.58 113.97 1k94 h ASN 412 Ca 0.17 0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.44 1k94 h ASN 412 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.46 1k94 h ASN 412 CO -0.19 0.17 0.09 0.00 -0.00 0.00 0.00 177.43 177.49 1k94 h ALA 413 N 1.25 1.11 -0.40 1.57 0.00 -1.84 -2.31 119.26 118.63 1k94 h ALA 413 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1k94 h ALA 413 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1k94 h ALA 413 CO -0.17 0.58 0.03 0.35 0.00 0.00 0.00 179.25 180.04 1k94 h PHE 414 N 0.84 0.75 -0.87 0.00 3.57 -0.34 -0.35 116.94 120.53 1k94 h PHE 414 Ca 0.17 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1k94 h PHE 414 Cb 0.38 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1k94 h PHE 414 CO 0.02 0.75 0.58 -0.22 -2.23 0.00 0.00 178.31 177.21 1k94 h LYS 415 N 0.53 1.13 -0.51 1.11 3.64 -0.83 0.44 116.57 122.08 1k94 h LYS 415 Ca 0.12 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1k94 h LYS 415 Cb 0.44 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1k94 h LYS 415 CO 0.02 0.74 0.05 0.93 -2.27 0.00 0.00 179.45 178.92 1k94 h GLU 416 N 1.16 0.87 -0.30 1.90 5.08 -1.07 -2.23 114.58 120.00 1k94 h GLU 416 Ca 0.33 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1k94 h GLU 416 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1k94 h GLU 416 CO -0.08 0.88 0.08 1.25 -1.00 0.00 0.00 179.01 180.14 1k94 h LEU 417 N 0.75 0.45 -0.90 1.33 5.85 -0.01 -1.94 115.31 120.84 1k94 h LEU 417 Ca 0.15 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1k94 h LEU 417 Cb 0.46 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1k94 h LEU 417 CO 0.02 0.56 0.54 -0.25 -0.34 0.00 0.00 178.44 178.97 1k94 h TRP 418 N 0.32 0.99 -0.47 1.25 -0.00 -0.04 0.38 115.95 118.37 1k94 h TRP 418 Ca 0.09 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1k94 h TRP 418 Cb 0.28 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 1k94 h TRP 418 CO 0.01 0.41 0.05 0.00 -0.00 0.00 0.00 178.44 178.92 1k94 h ALA 419 N 1.48 0.63 -0.47 2.65 0.00 -1.17 -1.83 119.26 120.55 1k94 h ALA 419 Ca 0.43 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1k94 h ALA 419 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1k94 h ALA 419 CO -0.24 0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1k94 h ALA 420 N 0.94 0.62 -0.92 0.00 0.00 -0.44 -1.87 119.26 117.60 1k94 h ALA 420 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k94 h ALA 420 Cb 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1k94 h ALA 420 CO 0.01 0.34 0.55 -0.07 0.00 0.00 0.00 179.25 180.08 1k94 h LEU 421 N 0.64 1.11 -0.88 0.00 3.38 -0.17 0.30 115.31 119.69 1k94 h LEU 421 Ca 0.14 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1k94 h LEU 421 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1k94 h LEU 421 CO 0.01 0.85 -0.29 0.78 0.09 0.00 0.00 178.44 179.88 1k94 h ASN 422 N 1.27 0.50 -0.23 -0.43 4.21 -1.14 0.23 115.58 119.99 1k94 h ASN 422 Ca 0.33 -0.18 -0.03 0.00 1.21 0.00 0.00 56.30 57.63 1k94 h ASN 422 Cb -0.05 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 1k94 h ASN 422 CO -0.06 0.77 0.04 0.00 -1.29 0.00 0.00 177.43 176.90 1k94 h ALA 423 N 1.26 0.31 -0.14 -0.83 0.00 -0.56 -0.19 119.26 119.12 1k94 h ALA 423 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1k94 h ALA 423 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1k94 h ALA 423 CO 0.06 -0.02 -0.32 -1.49 0.00 0.00 0.00 179.25 177.48 1k94 h TRP 424 N 0.20 0.31 -0.11 0.00 6.55 -0.68 -0.64 115.95 121.58 1k94 h TRP 424 Ca 0.07 -0.07 -0.03 0.00 0.95 0.00 0.00 58.89 59.81 1k94 h TRP 424 Cb 0.31 -0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1k94 h TRP 424 CO 0.02 0.57 -0.04 -0.22 -1.05 0.00 0.00 178.44 177.71 1k94 h LYS 425 N 0.24 0.22 -0.70 0.49 1.63 -0.36 -0.80 116.57 117.29 1k94 h LYS 425 Ca 0.03 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1k94 h LYS 425 Cb 0.68 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1k94 h LYS 425 CO 0.05 0.56 0.37 0.93 -3.45 0.00 0.00 179.45 177.91 1k94 h GLU 426 N -0.12 0.99 -0.69 1.90 5.08 -0.85 -2.06 114.58 118.83 1k94 h GLU 426 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1k94 h GLU 426 Cb 0.49 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1k94 h GLU 426 CO 0.01 0.76 0.35 -0.91 -1.00 0.00 0.00 179.01 178.23 1k94 h ASN 427 N 0.97 0.87 -0.27 1.42 -0.26 -1.02 -1.20 115.58 116.10 1k94 h ASN 427 Ca 0.25 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1k94 h ASN 427 Cb 0.07 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1k94 h ASN 427 CO -0.04 0.72 0.16 0.15 -1.06 0.00 0.00 177.43 177.37 1k94 h PHE 428 N 0.97 0.35 -0.78 1.19 3.57 -0.51 -0.77 116.94 120.97 1k94 h PHE 428 Ca 0.24 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1k94 h PHE 428 Cb 0.06 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1k94 h PHE 428 CO 0.01 0.26 0.33 0.52 -2.23 0.00 0.00 178.31 177.20 1k94 h MET 429 N 0.34 1.15 -0.30 1.11 2.86 -1.03 -1.07 114.93 117.99 1k94 h MET 429 Ca 0.10 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1k94 h MET 429 Cb 0.01 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1k94 h MET 429 CO -0.02 0.92 0.05 1.15 1.06 0.00 0.00 176.91 180.07 1k94 h THR 430 N 1.12 1.23 0.00 2.22 2.02 -0.87 -3.27 112.91 115.35 1k94 h THR 430 Ca 0.26 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1k94 h THR 430 Cb 0.18 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1k94 h THR 430 CO -0.03 0.26 -0.51 -0.37 0.37 0.00 0.00 175.52 175.24 1k94 h VAL 431 N 0.31 0.28 0.00 3.16 -1.51 -1.06 -3.37 116.25 114.06 1k94 h VAL 431 Ca 0.09 -1.43 -0.65 0.00 -1.23 0.00 0.00 66.70 63.48 1k94 h VAL 431 Cb 0.33 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1k94 h VAL 431 CO 0.00 0.16 3.24 -0.67 -1.23 0.00 0.00 177.57 179.08 1k94 n ASP 432 N -3.02 5.60 0.15 4.19 4.64 -0.41 -4.69 116.55 123.02 1k94 n ASP 432 Ca 0.01 -2.66 0.12 0.00 -1.38 0.00 0.00 54.79 50.88 1k94 n ASP 432 Cb 0.62 -1.49 0.56 0.00 -1.04 0.00 0.00 41.12 39.77 1k94 n ASP 432 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1k94 n GLN 433 N 5.08 0.18 -0.27 -0.67 6.02 -1.26 -1.67 117.38 124.78 1k94 n GLN 433 Ca 0.61 0.54 0.11 0.00 -0.01 0.00 0.00 57.00 58.24 1k94 n GLN 433 Cb 0.30 -1.94 0.26 0.00 1.02 0.00 0.00 30.24 29.88 1k94 n GLN 433 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1k94 n ASP 434 N -2.29 3.60 -3.86 1.08 5.75 -1.26 -4.97 116.55 114.60 1k94 n ASP 434 Ca 0.00 -1.98 -0.28 0.00 -0.01 0.00 0.00 54.79 52.52 1k94 n ASP 434 Cb 0.13 -0.36 0.03 0.00 -1.03 0.00 0.00 41.12 39.89 1k94 n ASP 434 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k94 n GLY 435 N 1.42 -0.45 0.03 6.12 0.00 -0.67 -4.87 105.19 106.76 1k94 n GLY 435 Ca 0.21 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1k94 n GLY 435 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k94 n SER 436 N -2.89 0.41 -0.12 1.61 3.41 -1.26 -4.90 113.62 109.88 1k94 n SER 436 Ca -0.03 -0.13 -0.02 0.00 -0.26 0.00 0.00 58.87 58.43 1k94 n SER 436 Cb 0.56 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1k94 n SER 436 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k94 n GLY 437 N 1.47 0.52 3.17 5.00 0.00 -1.26 -4.99 105.19 109.10 1k94 n GLY 437 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1k94 n GLY 437 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k94 s THR 438 N -1.93 0.16 -0.21 2.61 -4.23 -1.26 -4.50 115.64 106.27 1k94 s THR 438 Ca 0.00 -1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1k94 s THR 438 Cb 0.00 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1k94 s THR 438 CO 0.00 -0.73 -0.00 -0.69 -0.54 0.00 0.00 174.62 172.66 1k94 s VAL 439 N -3.77 3.83 0.48 2.29 1.01 -0.12 -4.79 120.40 119.32 1k94 s VAL 439 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1k94 s VAL 439 Cb 0.05 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1k94 s VAL 439 CO -0.10 0.41 0.66 -1.61 0.00 0.00 0.00 175.10 174.46 1k94 s GLU 440 N 1.23 2.71 0.18 2.72 8.01 -1.26 -1.09 118.70 131.20 1k94 s GLU 440 Ca 0.03 -1.02 -0.24 0.00 0.01 0.00 0.00 54.97 53.75 1k94 s GLU 440 Cb -0.15 -2.64 0.05 0.00 -4.31 0.00 0.00 34.13 27.09 1k94 s GLU 440 CO 0.01 -0.46 1.45 1.58 0.01 0.00 0.00 175.26 177.85 1k94 n HIS 441 N -2.06 -0.24 -0.37 1.61 -0.00 -1.26 -0.47 115.22 112.43 1k94 n HIS 441 Ca 0.08 1.16 -0.00 0.00 -0.00 0.00 0.00 57.72 58.96 1k94 n HIS 441 Cb 0.59 -0.68 0.13 0.00 -0.00 0.00 0.00 29.99 30.03 1k94 n HIS 441 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1k94 h HIS 442 N 0.00 1.21 -0.16 1.57 -0.00 -1.98 -1.43 115.15 114.36 1k94 h HIS 442 Ca 0.22 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.45 1k94 h HIS 442 Cb 0.45 -0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1k94 h HIS 442 CO -0.91 0.71 -0.62 0.93 -0.00 0.00 0.00 177.93 178.04 1k94 h GLU 443 N 1.26 0.54 -0.12 5.12 5.08 -1.26 -2.89 114.58 122.30 1k94 h GLU 443 Ca 0.39 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1k94 h GLU 443 Cb -0.02 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1k94 h GLU 443 CO -0.12 0.99 -0.37 1.25 -1.00 0.00 0.00 179.01 179.77 1k94 h LEU 444 N 0.40 0.26 -0.48 1.33 5.85 -0.36 -1.79 115.31 120.52 1k94 h LEU 444 Ca -0.01 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1k94 h LEU 444 Cb 1.18 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1k94 h LEU 444 CO 0.11 0.61 0.32 -0.09 -0.34 0.00 0.00 178.44 179.05 1k94 h ARG 445 N 0.22 0.63 -0.20 1.25 2.43 -1.11 0.41 114.38 118.00 1k94 h ARG 445 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1k94 h ARG 445 Cb 0.75 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1k94 h ARG 445 CO 0.06 0.42 0.07 0.37 -1.51 0.00 0.00 179.97 179.38 1k94 h GLN 446 N 0.65 0.31 -0.83 0.20 4.15 -1.26 -2.41 115.11 115.92 1k94 h GLN 446 Ca 0.18 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.59 1k94 h GLN 446 Cb -0.07 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.51 1k94 h GLN 446 CO -0.04 0.39 0.52 0.00 -1.93 0.00 0.00 178.83 177.77 1k94 h ALA 447 N 0.91 1.13 -0.39 3.38 0.00 -0.91 -0.12 119.26 123.25 1k94 h ALA 447 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1k94 h ALA 447 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1k94 h ALA 447 CO -0.00 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 180.36 1k94 h ILE 448 N 0.97 1.22 -0.38 0.00 2.04 -0.81 -1.58 117.51 118.97 1k94 h ILE 448 Ca 0.35 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 1k94 h ILE 448 Cb 0.11 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1k94 h ILE 448 CO -0.15 0.30 -0.26 1.23 0.00 0.00 0.00 178.15 179.27 1k94 h GLY 449 N 0.90 0.85 2.00 5.37 0.00 -0.71 -2.40 103.07 109.08 1k94 h GLY 449 Ca 0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1k94 h GLY 449 CO 0.01 0.69 -0.24 1.41 0.00 0.00 0.00 176.54 178.41 1k94 h LEU 450 N 0.67 0.00 -0.20 3.11 3.38 -0.42 -1.68 115.31 120.17 1k94 h LEU 450 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k94 h LEU 450 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1k94 h LEU 450 CO 0.07 0.24 0.00 0.23 0.09 0.00 0.00 178.44 179.06 1k94 n MET 451 N -3.76 1.14 -0.84 1.13 2.81 -0.66 -4.90 117.12 112.05 1k94 n MET 451 Ca -0.01 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1k94 n MET 451 Cb 0.34 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1k94 n MET 451 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k94 n GLY 452 N 1.03 0.55 3.88 3.03 0.00 -0.63 -5.05 105.19 107.99 1k94 n GLY 452 Ca 0.23 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1k94 n GLY 452 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k94 s TYR 453 N -2.00 3.60 -0.30 1.61 4.12 -0.94 -5.04 117.35 118.40 1k94 s TYR 453 Ca 0.00 0.54 0.03 0.00 0.02 0.00 0.00 57.07 57.67 1k94 s TYR 453 Cb 0.00 -1.96 0.08 0.00 -1.52 0.00 0.00 41.96 38.57 1k94 s TYR 453 CO 0.00 0.70 -0.02 0.50 0.02 0.00 0.00 175.55 176.75 1k94 s ARG 454 N -1.27 1.84 0.17 -0.62 3.52 -1.26 -4.19 118.95 117.14 1k94 s ARG 454 Ca 0.19 -1.63 0.07 0.00 -0.13 0.00 0.00 55.73 54.23 1k94 s ARG 454 Cb -0.13 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1k94 s ARG 454 CO 0.09 -0.77 -0.15 -0.48 -0.81 0.00 0.00 175.30 173.17 1k94 s LEU 455 N 1.00 2.48 0.70 -0.88 0.05 -1.26 -5.15 118.68 115.62 1k94 s LEU 455 Ca 0.02 -0.92 -0.11 0.00 0.05 0.00 0.00 54.13 53.17 1k94 s LEU 455 Cb -0.20 -0.66 0.01 0.00 -2.05 0.00 0.00 46.19 43.29 1k94 s LEU 455 CO -0.07 -0.13 1.06 -0.94 -0.55 0.00 0.00 176.35 175.72 1k94 s SER 456 N -2.88 5.29 0.49 1.48 1.04 -1.26 -4.83 113.70 113.03 1k94 s SER 456 Ca 0.16 1.60 0.17 0.00 0.48 0.00 0.00 55.95 58.37 1k94 s SER 456 Cb -0.03 -2.46 1.20 0.00 0.10 0.00 0.00 66.02 64.83 1k94 s SER 456 CO 0.05 -1.50 2.04 -0.65 0.98 0.00 0.00 173.24 174.17 1k94 h PRO 457 N -0.76 0.17 -0.22 4.02 0.11 -2.01 0.25 132.00 133.57 1k94 h PRO 457 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1k94 h PRO 457 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1k94 h PRO 457 CO 0.57 0.11 -0.02 0.37 -0.21 0.00 0.00 178.00 178.82 1k94 h GLN 458 N 0.17 0.40 -0.71 1.05 4.15 -1.99 -0.80 115.11 117.39 1k94 h GLN 458 Ca 0.18 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1k94 h GLN 458 Cb 0.48 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 1k94 h GLN 458 CO -0.03 0.62 0.18 1.15 -1.93 0.00 0.00 178.83 178.82 1k94 h THR 459 N 0.15 1.26 -0.59 2.39 2.02 -1.64 -1.56 112.91 114.95 1k94 h THR 459 Ca 0.06 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1k94 h THR 459 Cb 0.45 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1k94 h THR 459 CO 0.02 0.37 0.37 0.25 0.37 0.00 0.00 175.52 176.90 1k94 h LEU 460 N 1.07 0.62 -0.85 2.58 5.85 -0.82 -0.63 115.31 123.12 1k94 h LEU 460 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1k94 h LEU 460 Cb 0.36 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1k94 h LEU 460 CO 0.00 0.44 0.54 0.74 -0.34 0.00 0.00 178.44 179.82 1k94 h THR 461 N 0.74 1.23 -0.70 1.05 2.02 -0.67 -0.14 112.91 116.44 1k94 h THR 461 Ca 0.23 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1k94 h THR 461 Cb -0.01 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1k94 h THR 461 CO -0.08 0.23 0.38 0.74 0.37 0.00 0.00 175.52 177.16 1k94 h THR 462 N 1.16 1.22 -0.40 3.16 2.02 -0.51 -1.10 112.91 118.46 1k94 h THR 462 Ca 0.31 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1k94 h THR 462 Cb -0.09 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1k94 h THR 462 CO -0.06 0.24 0.01 0.40 0.37 0.00 0.00 175.52 176.48 1k94 h ILE 463 N 0.97 1.26 -0.81 3.11 2.04 -0.51 -1.86 117.51 121.71 1k94 h ILE 463 Ca 0.25 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1k94 h ILE 463 Cb 0.04 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1k94 h ILE 463 CO -0.04 0.33 0.35 0.58 0.00 0.00 0.00 178.15 179.37 1k94 h VAL 464 N 0.52 1.26 -0.51 1.67 2.07 -0.78 -1.68 116.25 118.80 1k94 h VAL 464 Ca 0.11 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1k94 h VAL 464 Cb 0.46 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1k94 h VAL 464 CO 0.02 0.33 0.06 0.11 0.02 0.00 0.00 177.57 178.11 1k94 h LYS 465 N 1.18 0.82 -0.48 1.57 1.57 -1.07 0.76 116.57 120.91 1k94 h LYS 465 Ca 0.27 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1k94 h LYS 465 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1k94 h LYS 465 CO -0.03 0.79 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.47 1k94 h ARG 466 N 0.78 0.90 -0.00 3.15 9.65 -0.80 -3.36 114.38 124.70 1k94 h ARG 466 Ca 0.16 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1k94 h ARG 466 Cb 0.39 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1k94 h ARG 466 CO 0.01 0.98 -0.65 0.66 2.80 0.00 0.00 179.97 183.77 1k94 n TYR 467 N -4.26 0.00 -3.03 2.20 4.02 -0.68 -5.02 117.16 110.39 1k94 n TYR 467 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 1k94 n TYR 467 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 1k94 n TYR 467 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1k94 s SER 468 N -2.30 6.51 -0.19 7.72 1.04 0.25 -4.61 113.70 122.11 1k94 s SER 468 Ca 0.05 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 1k94 s SER 468 Cb 0.10 -2.26 0.06 0.00 0.10 0.00 0.00 66.02 64.02 1k94 s SER 468 CO 0.57 -0.32 -0.01 -0.54 0.98 0.00 0.00 173.24 173.92 1k94 s LYS 469 N -3.71 1.05 -1.37 4.02 1.02 0.11 -4.75 119.74 116.11 1k94 s LYS 469 Ca 0.49 -0.57 -0.08 0.00 0.02 0.00 0.00 55.97 55.83 1k94 s LYS 469 Cb -0.10 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1k94 s LYS 469 CO 0.30 -0.58 1.10 0.09 -0.92 0.00 0.00 175.35 175.35 1k94 n ASN 470 N 4.92 -5.26 0.00 2.83 4.13 -1.26 -1.87 115.26 118.74 1k94 n ASN 470 Ca -0.10 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1k94 n ASN 470 Cb 0.47 -4.76 0.00 0.00 -1.54 0.00 0.00 39.78 33.94 1k94 n ASN 470 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k94 n GLY 471 N -1.82 2.26 3.51 7.41 0.00 -1.26 -5.01 105.19 110.27 1k94 n GLY 471 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1k94 n GLY 471 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k94 s ARG 472 N -0.01 2.40 -0.31 1.61 0.52 -0.78 -4.46 118.95 117.91 1k94 s ARG 472 Ca 0.00 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1k94 s ARG 472 Cb 0.00 -2.36 0.03 0.00 0.52 0.00 0.00 34.95 33.14 1k94 s ARG 472 CO 0.00 0.59 0.08 0.42 0.02 0.00 0.00 175.30 176.41 1k94 s ILE 473 N -0.87 3.74 0.64 1.52 1.01 -0.25 0.06 121.20 127.05 1k94 s ILE 473 Ca 0.14 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1k94 s ILE 473 Cb -0.11 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1k94 s ILE 473 CO 0.04 -0.06 1.04 -0.36 0.00 0.00 0.00 174.94 175.60 1k94 s PHE 474 N 1.42 3.46 0.20 3.97 0.40 -1.26 -0.95 117.98 125.23 1k94 s PHE 474 Ca -0.00 1.34 -0.20 0.00 -0.60 0.00 0.00 56.93 57.46 1k94 s PHE 474 Cb -0.18 -2.77 0.15 0.00 0.51 0.00 0.00 43.02 40.73 1k94 s PHE 474 CO 0.02 -0.84 1.57 0.35 0.70 0.00 0.00 175.22 177.01 1k94 h PHE 475 N -0.37 -1.10 -0.54 0.36 3.57 -1.97 0.50 116.94 117.38 1k94 h PHE 475 Ca -0.44 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.22 1k94 h PHE 475 Cb 1.20 0.60 -0.06 0.00 2.79 0.00 0.00 35.95 40.47 1k94 h PHE 475 CO 0.65 -0.40 0.21 0.22 -2.23 0.00 0.00 178.31 176.76 1k94 h ASP 476 N -0.09 0.23 0.05 0.41 3.58 -1.88 0.24 116.42 118.97 1k94 h ASP 476 Ca 0.27 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.64 1k94 h ASP 476 Cb 0.57 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1k94 h ASP 476 CO -0.84 0.16 -0.47 0.44 -2.88 0.00 0.00 179.24 175.65 1k94 h ASP 477 N 0.40 0.53 -0.26 2.28 3.32 -1.67 -1.56 116.42 119.47 1k94 h ASP 477 Ca 0.26 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1k94 h ASP 477 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1k94 h ASP 477 CO -0.25 0.92 0.17 0.22 -1.72 0.00 0.00 179.24 178.58 1k94 h TYR 478 N 0.39 0.33 -0.53 4.55 3.20 -0.15 0.63 116.97 125.39 1k94 h TYR 478 Ca 0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1k94 h TYR 478 Cb 0.98 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1k94 h TYR 478 CO 0.04 0.22 0.15 0.28 -1.64 0.00 0.00 178.16 177.20 1k94 h VAL 479 N 0.34 1.24 -0.98 1.81 2.07 -0.85 -0.35 116.25 119.52 1k94 h VAL 479 Ca 0.09 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1k94 h VAL 479 Cb -0.02 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1k94 h VAL 479 CO -0.02 0.30 0.63 0.00 0.02 0.00 0.00 177.57 178.50 1k94 h ALA 480 N 1.02 1.44 -0.07 1.67 0.00 -0.90 0.44 119.26 122.87 1k94 h ALA 480 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k94 h ALA 480 Cb 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1k94 h ALA 480 CO -0.00 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.67 1k94 h VAL 483 N 0.63 0.82 -0.71 0.00 2.07 -0.85 -1.59 116.25 116.62 1k94 h VAL 483 Ca 0.26 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.72 1k94 h VAL 483 Cb 0.13 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1k94 h VAL 483 CO -0.15 0.00 0.19 0.50 0.02 0.00 0.00 177.57 178.13 1k94 h LYS 484 N -0.18 1.12 -0.34 1.57 3.64 -1.05 -0.72 116.57 120.61 1k94 h LYS 484 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1k94 h LYS 484 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1k94 h LYS 484 CO -0.02 0.98 0.22 -0.07 -2.27 0.00 0.00 179.45 178.29 1k94 h LEU 485 N 1.06 0.41 -0.13 5.20 3.38 -0.89 -0.05 115.31 124.28 1k94 h LEU 485 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1k94 h LEU 485 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1k94 h LEU 485 CO -0.00 0.32 0.05 -0.09 0.09 0.00 0.00 178.44 178.81 1k94 h ARG 486 N 0.45 0.20 -0.35 1.13 2.43 -1.08 -0.49 114.38 116.68 1k94 h ARG 486 Ca 0.12 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1k94 h ARG 486 Cb -0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1k94 h ARG 486 CO -0.02 0.32 0.23 0.00 -1.51 0.00 0.00 179.97 178.99 1k94 h ALA 487 N 0.87 0.44 -0.04 2.80 0.00 -0.98 -0.74 119.26 121.61 1k94 h ALA 487 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1k94 h ALA 487 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1k94 h ALA 487 CO -0.00 -0.11 -0.68 -0.07 0.00 0.00 0.00 179.25 178.39 1k94 h LEU 488 N 0.46 0.24 -0.42 0.00 3.38 -0.98 -2.10 115.31 115.88 1k94 h LEU 488 Ca 0.13 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1k94 h LEU 488 Cb -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1k94 h LEU 488 CO -0.04 0.84 -0.44 0.74 0.09 0.00 0.00 178.44 179.64 1k94 h THR 489 N 0.14 1.28 -0.42 0.22 2.02 -0.89 -0.36 112.91 114.90 1k94 h THR 489 Ca -0.02 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.47 1k94 h THR 489 Cb 1.21 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1k94 h THR 489 CO 0.10 0.53 -0.05 0.44 0.37 0.00 0.00 175.52 176.91 1k94 h ASP 490 N 0.68 0.68 -0.28 4.18 3.45 -1.07 0.14 116.42 124.20 1k94 h ASP 490 Ca 0.04 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.28 1k94 h ASP 490 Cb 1.02 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1k94 h ASP 490 CO 0.10 0.78 -0.02 0.15 -1.57 0.00 0.00 179.24 178.69 1k94 h PHE 491 N 0.65 0.55 -0.16 4.55 3.57 -1.14 -2.59 116.94 122.37 1k94 h PHE 491 Ca 0.12 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1k94 h PHE 491 Cb 0.48 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1k94 h PHE 491 CO 0.02 0.66 0.06 0.35 -2.23 0.00 0.00 178.31 177.18 1k94 h PHE 492 N 0.27 0.25 -0.71 0.41 3.04 -0.74 -2.96 116.94 116.50 1k94 h PHE 492 Ca 0.08 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.12 1k94 h PHE 492 Cb 0.45 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 1k94 h PHE 492 CO 0.04 0.32 0.47 0.00 -2.02 0.00 0.00 178.31 177.12 1k94 h ARG 493 N 0.11 0.50 -0.03 1.11 3.08 -0.71 -0.47 114.38 117.97 1k94 h ARG 493 Ca 0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1k94 h ARG 493 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1k94 h ARG 493 CO -0.00 0.33 -0.23 0.87 -1.07 0.00 0.00 179.97 179.87 1k94 h LYS 494 N 0.51 0.05 0.00 0.04 1.57 -1.28 -2.76 116.57 114.70 1k94 h LYS 494 Ca 0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1k94 h LYS 494 Cb 0.61 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1k94 h LYS 494 CO -0.11 0.28 -1.18 0.54 -0.57 0.00 0.00 179.45 178.40 1k94 n ARG 495 N -4.25 0.61 -1.87 3.15 3.00 -0.32 -4.49 116.66 112.50 1k94 n ARG 495 Ca -0.02 0.09 -0.42 0.00 -0.01 0.00 0.00 57.85 57.50 1k94 n ARG 495 Cb 0.30 -1.79 -0.00 0.00 0.00 0.00 0.00 32.46 30.97 1k94 n ARG 495 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1k94 n ASP 496 N -2.65 4.52 -0.23 0.55 2.03 -0.40 -4.59 116.55 115.77 1k94 n ASP 496 Ca -0.02 -2.90 0.03 0.00 0.52 0.00 0.00 54.79 52.42 1k94 n ASP 496 Cb 0.59 -1.60 0.15 0.00 -0.72 0.00 0.00 41.12 39.54 1k94 n ASP 496 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1k94 h HIS 497 N 5.85 0.29 -0.01 -0.67 3.86 -1.79 -0.30 115.15 122.39 1k94 h HIS 497 Ca 0.54 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.79 1k94 h HIS 497 Cb 0.61 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1k94 h HIS 497 CO 1.43 -0.03 0.00 1.28 0.86 0.00 0.00 177.93 181.47 1k94 n LEU 498 N -5.11 0.52 -3.79 2.43 7.99 -1.26 -4.93 117.00 112.85 1k94 n LEU 498 Ca 0.12 -0.18 -0.28 0.00 -0.01 0.00 0.00 56.01 55.66 1k94 n LEU 498 Cb 0.39 -0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.71 1k94 n LEU 498 CO 0.16 0.09 -0.14 0.00 -1.51 0.00 0.00 177.39 175.99 1k94 n GLN 499 N -0.58 -2.45 0.00 3.23 6.02 -0.12 -4.89 117.38 118.58 1k94 n GLN 499 Ca 0.22 0.45 0.05 0.00 -0.01 0.00 0.00 57.00 57.71 1k94 n GLN 499 Cb 0.19 -4.38 0.03 0.00 1.02 0.00 0.00 30.24 27.10 1k94 n GLN 499 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k94 n GLN 500 N -4.29 1.01 -0.34 -1.09 10.64 -1.26 -4.99 117.38 117.06 1k94 n GLN 500 Ca -0.20 -0.95 0.00 0.00 -1.83 0.00 0.00 57.00 54.02 1k94 n GLN 500 Cb 0.64 -1.16 0.00 0.00 -0.86 0.00 0.00 30.24 28.86 1k94 n GLN 500 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1k94 n GLY 501 N 0.69 0.80 3.08 2.61 0.00 -1.26 -5.06 105.19 106.06 1k94 n GLY 501 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1k94 n GLY 501 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k94 s SER 502 N -2.17 0.10 0.01 1.61 1.04 -1.26 -5.16 113.70 107.86 1k94 s SER 502 Ca 0.00 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1k94 s SER 502 Cb 0.00 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1k94 s SER 502 CO 0.00 -0.38 0.32 0.00 0.98 0.00 0.00 173.24 174.15 1k94 s ALA 503 N -1.64 -0.77 -0.14 5.32 0.00 -1.26 -4.63 121.76 118.65 1k94 s ALA 503 Ca -0.13 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 1k94 s ALA 503 Cb -0.07 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1k94 s ALA 503 CO -0.00 -0.32 0.10 1.21 0.00 0.00 0.00 175.76 176.75 1k94 s ASN 504 N -1.58 6.01 -0.03 0.00 2.47 -1.26 -5.04 114.94 115.51 1k94 s ASN 504 Ca -0.11 0.31 0.04 0.00 0.42 0.00 0.00 52.86 53.52 1k94 s ASN 504 Cb -0.04 -1.94 -0.01 0.00 -1.45 0.00 0.00 41.25 37.82 1k94 s ASN 504 CO 0.02 0.33 -0.15 -0.36 -3.72 0.00 0.00 177.10 173.21 1k94 s PHE 505 N -0.55 1.45 0.23 0.43 0.40 -1.26 -4.97 117.98 113.71 1k94 s PHE 505 Ca 0.12 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 1k94 s PHE 505 Cb -0.12 -0.97 -0.09 0.00 0.51 0.00 0.00 43.02 42.36 1k94 s PHE 505 CO 0.02 -0.09 1.02 0.42 0.70 0.00 0.00 175.22 177.29 1k94 s ILE 506 N -0.11 3.90 0.20 0.64 -1.09 -1.26 -4.88 121.20 118.60 1k94 s ILE 506 Ca 0.01 1.81 -0.18 0.00 -2.23 0.00 0.00 60.65 60.06 1k94 s ILE 506 Cb -0.09 -4.15 0.18 0.00 -1.58 0.00 0.00 42.46 36.82 1k94 s ILE 506 CO 0.01 0.39 1.60 0.22 -1.23 0.00 0.00 174.94 175.92 1k94 h TYR 507 N 4.39 -0.72 -0.69 3.97 5.03 -1.99 -0.30 116.97 126.66 1k94 h TYR 507 Ca -0.45 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 60.93 1k94 h TYR 507 Cb 1.21 0.41 -0.03 0.00 1.55 0.00 0.00 36.73 39.87 1k94 h TYR 507 CO 0.61 -0.35 0.42 0.22 -1.32 0.00 0.00 178.16 177.74 1k94 h ASP 508 N -0.10 0.82 -0.19 -2.11 1.82 -1.99 -0.92 116.42 113.74 1k94 h ASP 508 Ca 0.27 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1k94 h ASP 508 Cb 0.54 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1k94 h ASP 508 CO -0.70 0.63 0.03 -0.78 -1.61 0.00 0.00 179.24 176.81 1k94 h ASP 509 N 0.95 0.30 -0.41 2.28 3.58 -1.61 -0.89 116.42 120.62 1k94 h ASP 509 Ca 0.25 -0.26 0.07 0.00 0.42 0.00 0.00 57.03 57.50 1k94 h ASP 509 Cb -0.05 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 40.86 1k94 h ASP 509 CO -0.05 0.49 0.06 0.15 -2.88 0.00 0.00 179.24 177.01 1k94 h PHE 510 N 0.11 0.10 -0.63 0.28 3.57 -0.63 -1.46 116.94 118.27 1k94 h PHE 510 Ca 0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1k94 h PHE 510 Cb 0.31 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1k94 h PHE 510 CO 0.02 -0.01 0.18 -0.07 -2.23 0.00 0.00 178.31 176.20 1k94 h LEU 511 N 0.18 0.94 -0.31 0.59 3.38 -1.00 -1.75 115.31 117.34 1k94 h LEU 511 Ca 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1k94 h LEU 511 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1k94 h LEU 511 CO -0.28 0.91 0.15 -0.61 0.09 0.00 0.00 178.44 178.70 1k94 h GLN 512 N 0.92 0.45 -0.52 1.13 4.15 -0.66 0.34 115.11 120.92 1k94 h GLN 512 Ca 0.20 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1k94 h GLN 512 Cb 0.32 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1k94 h GLN 512 CO -0.00 0.42 0.06 0.78 -1.93 0.00 0.00 178.83 178.16 1k94 h GLY 513 N 0.37 0.91 1.30 2.39 0.00 -1.19 -2.08 103.07 104.76 1k94 h GLY 513 Ca 0.11 -0.57 -0.29 0.00 0.00 0.00 0.00 47.33 46.58 1k94 h GLY 513 CO -0.01 0.53 -1.49 -0.91 0.00 0.00 0.00 176.54 174.66 1k94 h THR 514 N 0.80 1.18 0.00 4.70 1.35 -1.16 -3.31 112.91 116.47 1k94 h THR 514 Ca 0.16 -2.87 -0.05 0.00 -0.55 0.00 0.00 66.41 63.10 1k94 h THR 514 Cb 0.39 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 1k94 h THR 514 CO 0.01 0.78 -0.24 0.24 -0.25 0.00 0.00 175.52 176.07 1k94 h MET 515 N 0.04 0.00 0.00 4.72 2.86 -0.33 -3.04 114.93 119.18 1k94 h MET 515 Ca -0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1k94 h MET 515 Cb 1.97 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.63 1k94 h MET 515 CO 0.14 0.24 -0.22 0.00 1.06 0.00 0.00 176.91 178.13 1k94 h ALA 516 N 1.76 1.62 -0.02 6.32 0.00 -1.45 -3.51 119.26 123.99 1k94 h ALA 516 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1k94 h ALA 516 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1k94 h ALA 516 CO 0.03 0.27 0.00 -0.89 0.00 0.00 0.00 179.25 178.66