============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 11 0.900 83.495 32.894 18.750 -99.200 -91.000 TYR 14 0.840 90.027 31.005 28.006 -99.200 -91.000 TYR 17 0.840 88.707 43.252 37.908 -99.200 -91.000 PHE 23 1.000 86.028 36.025 17.289 -99.200 -91.000 HIS 33 0.900 82.564 48.909 44.911 -99.200 -91.000 HIS 35 0.900 75.379 44.831 41.683 -99.200 -91.000 PHE 39 1.000 69.307 37.403 32.491 -99.200 -91.000 TYR 46 0.840 73.816 30.551 36.920 -99.200 -91.000 TYR 51 0.840 83.730 43.658 44.803 -99.200 -91.000 PHE 86 1.000 70.388 45.183 40.669 -99.200 -91.000 PHE 93 1.000 59.954 41.201 26.114 -99.200 -91.000 PHE 109 1.000 65.989 39.395 37.484 -99.200 -91.000 PHE 143 1.000 63.960 40.313 13.041 -99.200 -91.000 PHE 152 1.000 55.076 41.674 20.981 -99.200 -91.000 TYR 198 0.840 72.380 33.427 -1.569 -99.200 -91.000 TYR 207 0.840 61.932 44.487 9.117 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zi0A1 THR 535 HA 0.02 -0.01 0.13 -0.75 4.39 3.78 1zi0A1 THR 535 HB 0.02 -0.00 0.06 -0.04 4.32 4.35 1zi0A1 THR 535 HG23 0.04 -0.01 -0.01 -0.04 1.22 1.20 1zi0A1 GLN 536 H -0.01 0.15 0.10 -0.55 8.47 8.16 1zi0A1 GLN 536 HA 0.13 0.03 0.70 -0.75 4.36 4.48 1zi0A1 GLU 537 H 0.09 0.09 0.31 -0.55 8.60 8.55 1zi0A1 GLU 537 HA 0.04 0.07 0.51 -0.75 4.29 4.16 1zi0A1 GLU 537 HB2 0.04 -0.02 0.14 -0.04 2.09 2.21 1zi0A1 GLU 537 HB3 0.04 0.17 -0.15 -0.04 1.99 2.01 1zi0A1 GLU 537 HG2 0.09 0.01 -0.16 -0.04 2.34 2.23 1zi0A1 GLU 537 HG3 0.09 0.03 -0.29 -0.04 2.34 2.12 1zi0A1 ASP 538 H 0.04 0.13 0.20 -0.55 8.40 8.22 1zi0A1 ASP 538 HA 0.04 0.30 0.78 -0.75 4.63 5.00 1zi0A1 ASP 538 HB2 0.03 -0.04 0.18 -0.04 2.71 2.84 1zi0A1 ASP 538 HB3 0.03 0.07 0.05 -0.04 2.70 2.81 1zi0A1 VAL 539 H 0.06 0.64 0.41 -0.55 8.24 8.79 1zi0A1 VAL 539 HA 0.09 0.15 0.88 -0.75 4.13 4.50 1zi0A1 VAL 539 HB 0.27 -0.04 -0.15 -0.04 2.12 2.16 1zi0A1 VAL 539 HG13 0.18 0.02 -0.38 -0.04 0.97 0.74 1zi0A1 VAL 539 HG23 0.06 0.01 -0.38 -0.04 0.95 0.60 1zi0A1 VAL 540 H 0.10 0.67 0.31 -0.55 8.24 8.77 1zi0A1 VAL 540 HA 0.05 0.29 1.10 -0.75 4.13 4.82 1zi0A1 VAL 540 HB 0.04 0.01 0.10 -0.04 2.12 2.24 1zi0A1 VAL 540 HG13 0.04 -0.00 -0.16 -0.04 0.97 0.81 1zi0A1 VAL 540 HG23 0.03 -0.01 -0.11 -0.04 0.95 0.83 1zi0A1 VAL 541 H 0.05 0.66 0.32 -0.55 8.24 8.72 1zi0A1 VAL 541 HA 0.10 0.37 1.19 -0.75 4.13 5.03 1zi0A1 VAL 541 HB 0.04 -0.11 0.09 -0.04 2.12 2.09 1zi0A1 VAL 541 HG13 0.05 0.04 -0.13 -0.04 0.97 0.88 1zi0A1 VAL 541 HG23 0.05 -0.01 -0.26 -0.04 0.95 0.69 1zi0A1 THR 542 H 0.06 0.39 0.24 -0.55 8.28 8.43 1zi0A1 THR 542 HA 0.04 0.40 1.30 -0.75 4.39 5.37 1zi0A1 THR 542 HB 0.04 -0.04 -0.09 -0.04 4.32 4.19 1zi0A1 THR 542 HG23 0.03 -0.02 -0.16 -0.04 1.22 1.04 1zi0A1 LEU 543 H 0.03 0.41 0.34 -0.55 8.37 8.61 1zi0A1 LEU 543 HA 0.03 0.37 0.95 -0.75 4.35 4.95 1zi0A1 LEU 543 HB2 0.02 0.03 -0.06 -0.04 1.64 1.59 1zi0A1 LEU 543 HB3 0.02 -0.08 0.15 -0.04 1.64 1.69 1zi0A1 LEU 543 HG -0.01 0.04 -0.31 -0.04 1.64 1.33 1zi0A1 LEU 543 HD13 -0.01 0.02 -0.12 -0.04 0.93 0.78 1zi0A1 LEU 543 HD23 0.00 -0.00 -0.10 -0.04 0.89 0.75 1zi0A1 SER 544 H 0.04 0.57 0.25 -0.55 8.46 8.77 1zi0A1 SER 544 HA -0.02 0.10 0.88 -0.75 4.49 4.69 1zi0A1 SER 544 HB2 -0.01 -0.01 0.05 -0.04 3.95 3.94 1zi0A1 SER 544 HB3 0.04 0.13 -0.02 -0.04 3.93 4.04 1zi0A1 HIS 545 H -0.28 0.64 0.34 -0.55 8.41 8.57 1zi0A1 HIS 545 HA -0.24 0.10 0.38 -0.75 4.63 4.12 1zi0A1 HIS 545 HB2 -1.59 0.09 0.10 -0.04 3.26 1.82 1zi0A1 HIS 545 HB3 -1.01 -0.16 0.14 -0.04 3.20 2.13 1zi0A1 HIS 545 HD2 -0.10 0.01 -0.13 -0.04 6.97 6.70 1zi0A1 HIS 545 HE1 0.08 0.01 -0.05 -0.04 7.75 7.74 1zi0A1 GLN 546 H -0.06 -0.07 -0.30 -0.55 8.47 7.49 1zi0A1 GLN 546 HA -0.11 0.18 0.53 -0.75 4.36 4.20 1zi0A1 GLY 547 H -0.03 0.21 -0.24 -0.55 8.43 7.83 1zi0A1 GLY 547 HA2 -0.10 0.08 0.26 -0.51 4.01 3.73 1zi0A1 GLY 547 HA3 -0.18 0.21 0.96 -0.51 4.01 4.49 1zi0A1 TYR 548 H 0.21 -0.05 0.07 -0.55 8.29 7.96 1zi0A1 TYR 548 HA -0.02 0.21 0.61 -0.75 4.56 4.60 1zi0A1 TYR 548 HB2 -0.02 -0.13 -0.02 -0.04 3.06 2.85 1zi0A1 TYR 548 HB3 -0.01 0.20 -0.24 -0.04 2.98 2.88 1zi0A1 TYR 548 HD2 -0.03 0.14 -0.18 -0.04 7.15 7.05 1zi0A1 TYR 548 HE2 -0.02 0.01 -0.07 -0.04 6.85 6.73 1zi0A1 VAL 549 H 0.07 0.65 0.26 -0.55 8.24 8.67 1zi0A1 VAL 549 HA 0.06 0.37 1.12 -0.75 4.13 4.92 1zi0A1 VAL 549 HB 0.01 -0.07 -0.05 -0.04 2.12 1.97 1zi0A1 VAL 549 HG13 0.01 0.01 0.02 -0.04 0.97 0.98 1zi0A1 VAL 549 HG23 0.04 0.02 -0.06 -0.04 0.95 0.92 1zi0A1 LYS 550 H 0.07 0.44 0.37 -0.55 8.42 8.74 1zi0A1 LYS 550 HA 0.10 0.24 0.68 -0.75 4.32 4.58 1zi0A1 LYS 550 HB2 0.00 -0.18 0.27 -0.04 1.87 1.92 1zi0A1 LYS 550 HB3 0.04 0.05 -0.10 -0.04 1.79 1.74 1zi0A1 LYS 550 HG2 0.04 -0.04 -0.20 -0.04 1.46 1.22 1zi0A1 LYS 550 HG3 0.03 -0.04 -0.27 -0.04 1.46 1.14 1zi0A1 LYS 550 HD2 -0.01 -0.03 -0.22 -0.04 1.69 1.39 1zi0A1 LYS 550 HD3 0.01 0.16 -0.46 -0.04 1.68 1.35 1zi0A1 LYS 550 HE2 -0.01 0.07 -0.27 -0.04 2.99 2.73 1zi0A1 LYS 550 HE3 0.01 -0.10 -0.26 -0.04 2.99 2.60 1zi0A1 TYR 551 H -0.01 0.36 0.38 -0.55 8.29 8.47 1zi0A1 TYR 551 HA 0.02 0.38 0.89 -0.75 4.56 5.09 1zi0A1 TYR 551 HB2 0.02 -0.05 -0.02 -0.04 3.06 2.97 1zi0A1 TYR 551 HB3 0.01 0.00 -0.27 -0.04 2.98 2.68 1zi0A1 TYR 551 HD2 0.02 -0.08 -0.42 -0.04 7.15 6.63 1zi0A1 TYR 551 HE2 0.04 0.13 -0.15 -0.04 6.85 6.83 1zi0A1 GLN 552 H 0.17 0.30 0.27 -0.55 8.47 8.66 1zi0A1 GLN 552 HA -0.23 0.11 0.46 -0.75 4.36 3.94 1zi0A1 GLN 552 HB2 -0.08 0.05 0.13 -0.04 2.15 2.21 1zi0A1 GLN 552 HB3 -0.14 0.06 -0.08 -0.04 2.02 1.81 1zi0A1 GLN 552 HG2 -0.01 -0.04 -0.11 -0.04 2.40 2.20 1zi0A1 GLN 552 HG3 0.00 0.12 -0.17 -0.04 2.39 2.30 1zi0A1 GLN 552 HE21 -0.01 0.11 -0.06 -0.04 6.97 6.97 1zi0A1 GLN 552 HE22 -0.01 -0.00 -0.13 -0.04 7.69 7.51 1zi0A1 PRO 553 HA 0.08 0.21 0.56 -0.51 4.44 4.78 1zi0A1 PRO 553 HB2 0.02 0.02 -0.04 -0.04 2.28 2.24 1zi0A1 PRO 553 HB3 0.04 0.04 0.08 -0.04 2.02 2.15 1zi0A1 PRO 553 HG2 0.03 0.05 0.04 -0.04 2.03 2.11 1zi0A1 PRO 553 HG3 0.09 0.04 0.03 -0.04 2.03 2.15 1zi0A1 PRO 553 HD2 -0.03 0.12 0.17 -0.04 3.68 3.90 1zi0A1 PRO 553 HD3 -0.04 0.13 0.16 -0.04 3.65 3.86 1zi0A1 LEU 554 H 0.04 0.34 0.22 -0.55 8.37 8.43 1zi0A1 LEU 554 HA 0.03 0.04 0.45 -0.75 4.35 4.11 1zi0A1 LEU 554 HB2 0.03 -0.01 0.17 -0.04 1.64 1.78 1zi0A1 LEU 554 HB3 0.02 -0.02 -0.04 -0.04 1.64 1.56 1zi0A1 LEU 554 HG 0.03 0.01 -0.21 -0.04 1.64 1.43 1zi0A1 LEU 554 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.87 1zi0A1 LEU 554 HD23 0.03 0.01 -0.09 -0.04 0.89 0.79 1zi0A1 SER 555 H 0.01 0.22 0.10 -0.55 8.46 8.25 1zi0A1 SER 555 HA 0.01 0.09 0.26 -0.75 4.49 4.09 1zi0A1 SER 555 HB2 0.00 -0.03 0.03 -0.04 3.95 3.92 1zi0A1 SER 555 HB3 0.01 0.16 -0.23 -0.04 3.93 3.83 1zi0A1 ASP 576 HA 0.02 0.01 0.13 -0.75 4.63 4.04 1zi0A1 PHE 577 H -0.40 0.08 0.23 -0.55 8.34 7.69 1zi0A1 PHE 577 HA 0.02 0.14 0.58 -0.75 4.62 4.60 1zi0A1 PHE 577 HB2 -0.01 0.01 0.08 -0.04 3.15 3.19 1zi0A1 PHE 577 HB3 -0.01 0.14 -0.08 -0.04 3.06 3.07 1zi0A1 PHE 577 HD2 -0.03 0.16 -0.32 -0.04 7.28 7.05 1zi0A1 PHE 577 HE2 -0.27 0.06 -0.10 -0.04 7.38 7.03 1zi0A1 PHE 577 HZ -0.74 0.03 -0.10 -0.04 7.32 6.47 1zi0A1 ILE 578 H 0.18 0.17 0.12 -0.55 8.25 8.17 1zi0A1 ILE 578 HA 0.05 0.01 0.42 -0.75 4.18 3.91 1zi0A1 ILE 578 HB 0.11 0.04 0.09 -0.04 1.89 2.08 1zi0A1 ILE 578 HG12 0.05 0.02 -0.04 -0.04 1.49 1.48 1zi0A1 ILE 578 HG13 0.08 -0.04 0.12 -0.04 1.21 1.33 1zi0A1 ILE 578 HG23 0.06 -0.00 -0.25 -0.04 0.93 0.69 1zi0A1 ILE 578 HD13 0.04 0.02 -0.01 -0.04 0.88 0.89 1zi0A1 ASP 579 H 0.03 0.49 0.48 -0.55 8.40 8.85 1zi0A1 ASP 579 HA 0.16 0.12 0.73 -0.75 4.63 4.88 1zi0A1 ASP 579 HB2 -0.02 -0.10 -0.09 -0.04 2.71 2.47 1zi0A1 ASP 579 HB3 0.02 0.16 0.02 -0.04 2.70 2.85 1zi0A1 ARG 580 H 0.04 0.33 0.28 -0.55 8.46 8.56 1zi0A1 ARG 580 HA 0.04 0.10 0.76 -0.75 4.34 4.49 1zi0A1 ARG 580 HB2 0.03 -0.03 0.06 -0.04 1.90 1.92 1zi0A1 ARG 580 HB3 0.03 0.02 -0.02 -0.04 1.80 1.79 1zi0A1 ARG 580 HG2 0.04 0.13 -0.02 -0.04 1.67 1.77 1zi0A1 ARG 580 HG3 0.04 -0.07 -0.48 -0.04 1.67 1.11 1zi0A1 ARG 580 HD2 0.03 0.03 -0.02 -0.04 3.22 3.22 1zi0A1 ARG 580 HD3 0.03 -0.03 -0.06 -0.04 3.22 3.12 1zi0A1 LEU 581 H 0.03 0.18 0.13 -0.55 8.37 8.16 1zi0A1 LEU 581 HA 0.03 0.27 0.99 -0.75 4.35 4.89 1zi0A1 LEU 582 H 0.03 0.71 0.32 -0.55 8.37 8.89 1zi0A1 LEU 582 HA 0.02 0.17 1.01 -0.75 4.35 4.80 1zi0A1 LEU 582 HB2 0.02 -0.02 -0.00 -0.04 1.64 1.60 1zi0A1 LEU 582 HB3 0.01 -0.01 0.04 -0.04 1.64 1.64 1zi0A1 LEU 582 HG 0.02 0.04 -0.23 -0.04 1.64 1.43 1zi0A1 LEU 582 HD13 0.02 0.00 -0.09 -0.04 0.93 0.81 1zi0A1 LEU 582 HD23 0.02 0.04 -0.14 -0.04 0.89 0.76 1zi0A1 VAL 583 H 0.02 0.21 0.19 -0.55 8.24 8.11 1zi0A1 VAL 583 HA 0.03 0.36 1.17 -0.75 4.13 4.93 1zi0A1 VAL 583 HB 0.02 -0.04 0.18 -0.04 2.12 2.23 1zi0A1 VAL 583 HG13 0.02 0.01 -0.09 -0.04 0.97 0.87 1zi0A1 VAL 583 HG23 0.02 0.00 -0.10 -0.04 0.95 0.83 1zi0A1 ALA 584 H 0.03 0.53 0.25 -0.55 8.40 8.66 1zi0A1 ALA 584 HA 0.01 0.16 0.81 -0.75 4.34 4.57 1zi0A1 ALA 584 HB3 0.00 -0.01 -0.07 -0.04 1.41 1.29 1zi0A1 ASN 585 H 0.02 0.16 0.18 -0.55 8.53 8.34 1zi0A1 ASN 585 HA 0.05 0.37 0.91 -0.75 4.76 5.34 1zi0A1 ASN 585 HB2 0.04 0.05 -0.02 -0.04 2.88 2.91 1zi0A1 ASN 585 HB3 0.05 -0.00 0.10 -0.04 2.79 2.89 1zi0A1 ASN 585 HD21 0.04 -0.00 -0.07 -0.04 7.03 6.95 1zi0A1 ASN 585 HD22 0.04 0.04 -0.12 -0.04 7.74 7.66 1zi0A1 THR 586 H 0.09 0.33 0.28 -0.55 8.28 8.43 1zi0A1 THR 586 HA -0.05 0.07 0.26 -0.75 4.39 3.92 1zi0A1 THR 586 HB 0.14 0.03 0.06 -0.04 4.32 4.51 1zi0A1 THR 586 HG23 0.11 0.08 0.09 -0.04 1.22 1.46 1zi0A1 HIS 587 H 0.23 -0.04 -0.41 -0.55 8.41 7.65 1zi0A1 HIS 587 HA -0.05 0.20 0.91 -0.75 4.63 4.94 1zi0A1 HIS 587 HB2 0.04 -0.07 0.04 -0.04 3.26 3.24 1zi0A1 HIS 587 HB3 0.04 0.04 0.16 -0.04 3.20 3.40 1zi0A1 HIS 587 HD2 0.11 0.00 0.01 -0.04 6.97 7.05 1zi0A1 HIS 587 HE1 0.02 0.11 -0.20 -0.04 7.75 7.63 1zi0A1 ASP 588 H -0.01 0.55 -0.12 -0.55 8.40 8.27 1zi0A1 ASP 588 HA 0.09 0.16 0.70 -0.75 4.63 4.83 1zi0A1 ASP 588 HB2 -0.02 0.06 0.12 -0.04 2.71 2.83 1zi0A1 ASP 588 HB3 0.01 0.08 0.08 -0.04 2.70 2.83 1zi0A1 HIS 589 H 0.18 0.68 0.37 -0.55 8.41 9.08 1zi0A1 HIS 589 HA -0.05 0.16 0.89 -0.75 4.63 4.88 1zi0A1 HIS 589 HB2 0.00 -0.02 0.02 -0.04 3.26 3.23 1zi0A1 HIS 589 HB3 0.09 -0.03 -0.04 -0.04 3.20 3.18 1zi0A1 HIS 589 HD2 0.11 -0.01 -0.12 -0.04 6.97 6.91 1zi0A1 HIS 589 HE1 0.17 -0.01 0.00 -0.04 7.75 7.88 1zi0A1 ILE 590 H 0.07 0.36 0.12 -0.55 8.25 8.25 1zi0A1 ILE 590 HA 0.02 0.12 0.75 -0.75 4.18 4.32 1zi0A1 ILE 590 HB -0.02 0.13 -0.03 -0.04 1.89 1.92 1zi0A1 ILE 590 HG12 0.00 -0.02 -0.09 -0.04 1.49 1.34 1zi0A1 ILE 590 HG13 -0.03 -0.02 -0.48 -0.04 1.21 0.64 1zi0A1 ILE 590 HG23 0.01 -0.01 -0.30 -0.04 0.93 0.59 1zi0A1 ILE 590 HD13 -0.01 -0.00 -0.18 -0.04 0.88 0.65 1zi0A1 LEU 591 H 0.04 0.49 0.13 -0.55 8.37 8.48 1zi0A1 LEU 591 HA -0.03 0.27 0.95 -0.75 4.35 4.79 1zi0A1 LEU 591 HB2 0.09 -0.04 0.09 -0.04 1.64 1.74 1zi0A1 LEU 591 HB3 -0.26 0.01 -0.09 -0.04 1.64 1.26 1zi0A1 LEU 591 HG 0.04 -0.02 -0.18 -0.04 1.64 1.44 1zi0A1 LEU 591 HD13 -0.04 -0.01 -0.13 -0.04 0.93 0.70 1zi0A1 LEU 591 HD23 0.13 0.02 -0.17 -0.04 0.89 0.83 1zi0A1 CYS 592 H -0.09 0.65 0.31 -0.55 8.50 8.82 1zi0A1 CYS 592 HA 0.09 0.25 1.11 -0.75 4.58 5.28 1zi0A1 CYS 592 HB2 0.08 -0.02 0.10 -0.04 2.97 3.10 1zi0A1 CYS 592 HB3 0.06 0.00 -0.02 -0.04 2.97 2.97 1zi0A1 PHE 593 H 0.31 0.57 0.32 -0.55 8.34 8.98 1zi0A1 PHE 593 HA 0.08 0.35 1.05 -0.75 4.62 5.35 1zi0A1 PHE 593 HB2 0.02 -0.04 0.02 -0.04 3.15 3.11 1zi0A1 PHE 593 HB3 0.03 0.03 -0.05 -0.04 3.06 3.03 1zi0A1 PHE 593 HD2 0.01 0.07 -0.21 -0.04 7.28 7.11 1zi0A1 PHE 593 HE2 -0.07 0.01 -0.20 -0.04 7.38 7.07 1zi0A1 PHE 593 HZ -0.43 -0.02 -0.18 -0.04 7.32 6.66 1zi0A1 SER 594 H 0.19 0.42 0.30 -0.55 8.46 8.82 1zi0A1 SER 594 HA 0.12 0.27 1.22 -0.75 4.49 5.35 1zi0A1 SER 594 HB2 0.10 0.07 0.03 -0.04 3.95 4.12 1zi0A1 SER 594 HB3 0.22 0.09 -0.14 -0.04 3.93 4.06 1zi0A1 SER 595 H 0.06 0.68 0.37 -0.55 8.46 9.03 1zi0A1 SER 595 HA 0.06 0.31 0.56 -0.75 4.49 4.66 1zi0A1 SER 595 HB2 0.03 0.02 0.17 -0.04 3.95 4.13 1zi0A1 SER 595 HB3 0.04 0.10 0.16 -0.04 3.93 4.19 1zi0A1 ARG 596 H 0.08 0.02 -0.38 -0.55 8.46 7.62 1zi0A1 ARG 596 HA 0.04 0.27 0.91 -0.75 4.34 4.81 1zi0A1 ARG 596 HB2 0.07 -0.05 0.04 -0.04 1.90 1.91 1zi0A1 ARG 596 HB3 0.04 0.03 0.14 -0.04 1.80 1.98 1zi0A1 ARG 596 HG2 0.03 0.07 0.00 -0.04 1.67 1.73 1zi0A1 ARG 596 HG3 0.04 -0.01 -0.19 -0.04 1.67 1.46 1zi0A1 ARG 596 HD2 0.02 0.02 -0.14 -0.04 3.22 3.09 1zi0A1 ARG 596 HD3 0.04 -0.05 -0.06 -0.04 3.22 3.10 1zi0A1 GLY 597 H 0.08 0.42 -0.23 -0.55 8.43 8.15 1zi0A1 GLY 597 HA2 0.09 0.03 0.30 -0.51 4.01 3.92 1zi0A1 GLY 597 HA3 0.05 0.24 0.46 -0.51 4.01 4.25 1zi0A1 ARG 598 H 0.08 -0.01 -0.07 -0.55 8.46 7.91 1zi0A1 ARG 598 HA -0.06 0.15 1.03 -0.75 4.34 4.70 1zi0A1 ARG 598 HB2 0.04 -0.08 -0.07 -0.04 1.90 1.75 1zi0A1 ARG 598 HB3 -0.35 0.08 -0.05 -0.04 1.80 1.44 1zi0A1 ARG 598 HG2 -0.04 -0.01 -0.24 -0.04 1.67 1.34 1zi0A1 ARG 598 HG3 0.02 0.05 -0.35 -0.04 1.67 1.35 1zi0A1 ARG 598 HD2 0.03 0.00 -0.10 -0.04 3.22 3.11 1zi0A1 ARG 598 HD3 0.12 -0.06 -0.11 -0.04 3.22 3.13 1zi0A1 VAL 599 H -0.32 0.63 0.33 -0.55 8.24 8.33 1zi0A1 VAL 599 HA -0.36 0.39 1.07 -0.75 4.13 4.48 1zi0A1 VAL 599 HB -0.29 -0.04 -0.18 -0.04 2.12 1.57 1zi0A1 VAL 599 HG13 0.02 0.02 -0.08 -0.04 0.97 0.90 1zi0A1 VAL 599 HG23 -0.64 -0.00 -0.22 -0.04 0.95 0.05 1zi0A1 TYR 600 H -0.07 0.63 0.31 -0.55 8.29 8.62 1zi0A1 TYR 600 HA -0.05 0.12 0.93 -0.75 4.56 4.81 1zi0A1 TYR 600 HB2 -0.06 -0.07 0.05 -0.04 3.06 2.94 1zi0A1 TYR 600 HB3 -0.04 0.23 0.01 -0.04 2.98 3.13 1zi0A1 TYR 600 HD2 -0.04 0.16 -0.28 -0.04 7.15 6.95 1zi0A1 TYR 600 HE2 -0.02 0.07 -0.21 -0.04 6.85 6.66 1zi0A1 SER 601 H 0.04 0.45 0.16 -0.55 8.46 8.56 1zi0A1 SER 601 HA 0.04 0.29 1.09 -0.75 4.49 5.16 1zi0A1 SER 601 HB2 0.06 -0.05 -0.17 -0.04 3.95 3.76 1zi0A1 SER 601 HB3 0.04 0.03 -0.22 -0.04 3.93 3.75 1zi0A1 MET 602 H 0.04 0.35 0.18 -0.55 8.47 8.49 1zi0A1 MET 602 HA -0.04 0.03 0.57 -0.75 4.52 4.33 1zi0A1 MET 602 HB2 -0.06 0.05 -0.04 -0.04 2.15 2.05 1zi0A1 MET 602 HB3 -0.01 0.11 -0.21 -0.04 2.03 1.87 1zi0A1 MET 602 HG2 -0.01 0.02 -0.10 -0.04 2.63 2.50 1zi0A1 MET 602 HG3 -0.05 0.00 -0.22 -0.04 2.56 2.25 1zi0A1 MET 602 HE3 -0.02 0.00 -0.18 -0.04 2.10 1.86 1zi0A1 LYS 603 H -0.22 0.11 0.11 -0.55 8.42 7.87 1zi0A1 LYS 603 HA -0.43 0.16 0.54 -0.75 4.32 3.84 1zi0A1 LYS 603 HB2 -0.88 -0.06 0.10 -0.04 1.87 1.00 1zi0A1 LYS 603 HB3 -1.02 0.06 0.11 -0.04 1.79 0.90 1zi0A1 VAL 604 H -0.35 0.64 0.22 -0.55 8.24 8.20 1zi0A1 VAL 604 HA -0.23 0.05 0.25 -0.75 4.13 3.45 1zi0A1 VAL 604 HB -0.22 0.15 0.06 -0.04 2.12 2.07 1zi0A1 VAL 604 HG13 -0.29 -0.03 -0.30 -0.04 0.97 0.31 1zi0A1 VAL 604 HG23 -0.11 0.02 -0.18 -0.04 0.95 0.63 1zi0A1 TYR 605 H -0.65 0.22 -0.17 -0.55 8.29 7.14 1zi0A1 TYR 605 HA -0.57 0.11 0.50 -0.75 4.56 3.85 1zi0A1 TYR 605 HB2 -0.10 0.01 0.11 -0.04 3.06 3.04 1zi0A1 TYR 605 HB3 -0.22 -0.02 0.08 -0.04 2.98 2.78 1zi0A1 TYR 605 HD2 -0.30 0.05 -0.32 -0.04 7.15 6.54 1zi0A1 TYR 605 HE2 -0.41 -0.02 -0.05 -0.04 6.85 6.33 1zi0A1 GLN 606 H -0.31 0.45 -0.48 -0.55 8.47 7.58 1zi0A1 GLN 606 HA 0.10 0.10 0.60 -0.75 4.36 4.41 1zi0A1 GLN 606 HB2 -0.15 0.16 0.03 -0.04 2.15 2.15 1zi0A1 GLN 606 HB3 -0.02 -0.01 0.13 -0.04 2.02 2.07 1zi0A1 GLN 606 HG2 0.09 0.03 0.01 -0.04 2.40 2.49 1zi0A1 GLN 606 HG3 -0.21 -0.08 -0.06 -0.04 2.39 2.00 1zi0A1 GLN 606 HE21 -0.01 -0.01 0.04 -0.04 6.97 6.95 1zi0A1 GLN 606 HE22 0.08 0.02 0.01 -0.04 7.69 7.76 1zi0A1 LEU 607 H -0.09 0.23 -0.54 -0.55 8.37 7.42 1zi0A1 LEU 607 HA 0.04 0.12 0.55 -0.75 4.35 4.30 1zi0A1 LEU 607 HB2 0.01 0.10 -0.08 -0.04 1.64 1.63 1zi0A1 LEU 607 HB3 0.12 -0.02 -0.08 -0.04 1.64 1.62 1zi0A1 LEU 607 HG -0.10 0.04 -0.16 -0.04 1.64 1.37 1zi0A1 LEU 607 HD13 -0.04 -0.01 -0.13 -0.04 0.93 0.70 1zi0A1 LEU 607 HD23 -0.01 -0.00 -0.15 -0.04 0.89 0.69 1zi0A1 PRO 608 HA 0.10 0.09 0.57 -0.51 4.44 4.69 1zi0A1 PRO 608 HB2 0.05 -0.06 0.13 -0.04 2.28 2.36 1zi0A1 PRO 608 HB3 0.05 0.05 0.12 -0.04 2.02 2.21 1zi0A1 PRO 608 HG2 0.08 0.03 0.37 -0.04 2.03 2.47 1zi0A1 PRO 608 HG3 0.06 0.01 0.23 -0.04 2.03 2.28 1zi0A1 PRO 608 HD2 0.08 0.06 0.08 -0.04 3.68 3.86 1zi0A1 PRO 608 HD3 0.05 0.17 0.12 -0.04 3.65 3.95 1zi0A1 GLU 609 H 0.05 0.22 0.16 -0.55 8.60 8.49 1zi0A1 GLU 609 HA -0.67 0.16 0.67 -0.75 4.29 3.70 1zi0A1 ALA 610 H -0.10 0.23 0.18 -0.55 8.40 8.15 1zi0A1 ALA 610 HA -0.05 0.05 0.55 -0.75 4.34 4.14 1zi0A1 ALA 610 HB3 -0.02 -0.01 -0.00 -0.04 1.41 1.33 1zi0A1 THR 611 H -0.10 0.01 0.00 -0.55 8.28 7.64 1zi0A1 THR 611 HA -0.07 -0.02 0.22 -0.75 4.39 3.77 1zi0A1 ARG 612 H -0.03 0.03 0.09 -0.55 8.46 8.00 1zi0A1 ARG 612 HA -0.02 -0.03 0.30 -0.75 4.34 3.84 1zi0A1 GLY 613 H -0.02 0.09 0.17 -0.55 8.43 8.12 1zi0A1 GLY 613 HA2 -0.01 0.10 0.86 -0.51 4.01 4.45 1zi0A1 GLY 613 HA3 -0.02 -0.06 0.30 -0.51 4.01 3.72 1zi0A1 ALA 614 H -0.03 0.05 0.14 -0.55 8.40 8.01 1zi0A1 ALA 614 HA -0.06 -0.01 0.35 -0.75 4.34 3.86 1zi0A1 ALA 614 HB3 -0.05 0.04 0.05 -0.04 1.41 1.41 1zi0A1 ARG 615 H -0.11 0.03 0.11 -0.55 8.46 7.93 1zi0A1 ARG 615 HA -0.06 0.01 0.30 -0.75 4.34 3.83 1zi0A1 GLY 616 H 0.02 0.05 0.05 -0.55 8.43 8.01 1zi0A1 GLY 616 HA2 0.05 -0.01 0.41 -0.51 4.01 3.96 1zi0A1 GLY 616 HA3 0.08 0.19 0.60 -0.51 4.01 4.37 1zi0A1 ARG 617 H 0.08 0.20 0.23 -0.55 8.46 8.42 1zi0A1 ARG 617 HA 0.15 0.19 0.80 -0.75 4.34 4.71 1zi0A1 ARG 617 HB2 0.02 0.02 0.01 -0.04 1.90 1.91 1zi0A1 ARG 617 HB3 0.01 0.07 0.09 -0.04 1.80 1.92 1zi0A1 ARG 617 HG2 0.05 0.00 -0.07 -0.04 1.67 1.61 1zi0A1 ARG 617 HG3 0.04 -0.08 0.04 -0.04 1.67 1.63 1zi0A1 ARG 617 HD2 0.02 0.05 -0.02 -0.04 3.22 3.23 1zi0A1 ARG 617 HD3 0.02 0.02 -0.01 -0.04 3.22 3.21 1zi0A1 PRO 618 HA -0.36 0.32 0.59 -0.51 4.44 4.48 1zi0A1 PRO 618 HB2 -0.20 -0.06 0.07 -0.04 2.28 2.04 1zi0A1 PRO 618 HB3 -0.39 0.09 0.05 -0.04 2.02 1.73 1zi0A1 PRO 618 HG2 -0.25 0.05 0.04 -0.04 2.03 1.84 1zi0A1 PRO 618 HG3 -1.08 0.06 -0.04 -0.04 2.03 0.93 1zi0A1 PRO 618 HD2 -0.08 0.10 0.20 -0.04 3.68 3.85 1zi0A1 PRO 618 HD3 0.02 0.17 0.23 -0.04 3.65 4.03 1zi0A1 ILE 619 H -0.14 0.63 0.36 -0.55 8.25 8.56 1zi0A1 ILE 619 HA -0.07 0.08 0.36 -0.75 4.18 3.80 1zi0A1 ILE 619 HB -0.06 0.05 0.11 -0.04 1.89 1.96 1zi0A1 ILE 619 HG12 -0.05 -0.01 -0.06 -0.04 1.49 1.34 1zi0A1 ILE 619 HG13 -0.08 -0.03 -0.07 -0.04 1.21 0.99 1zi0A1 ILE 619 HG23 -0.09 0.02 -0.01 -0.04 0.93 0.82 1zi0A1 ILE 619 HD13 -0.03 0.01 -0.02 -0.04 0.88 0.79 1zi0A1 VAL 620 H -0.13 0.12 -0.27 -0.55 8.24 7.41 1zi0A1 VAL 620 HA -0.12 0.10 0.47 -0.75 4.13 3.83 1zi0A1 VAL 620 HB -0.09 0.07 0.15 -0.04 2.12 2.21 1zi0A1 VAL 620 HG13 -0.10 -0.00 0.05 -0.04 0.97 0.89 1zi0A1 VAL 620 HG23 -0.11 -0.01 -0.12 -0.04 0.95 0.67 1zi0A1 ASN 621 H -0.09 0.58 -0.50 -0.55 8.53 7.97 1zi0A1 ASN 621 HA -0.06 0.20 0.84 -0.75 4.76 4.98 1zi0A1 LEU 622 H -0.08 0.31 -0.11 -0.55 8.37 7.94 1zi0A1 LEU 622 HA -0.03 0.14 0.79 -0.75 4.35 4.49 1zi0A1 LEU 622 HB2 -0.05 0.07 0.07 -0.04 1.64 1.69 1zi0A1 LEU 622 HB3 -0.03 -0.01 0.04 -0.04 1.64 1.60 1zi0A1 LEU 622 HG -0.03 0.01 -0.21 -0.04 1.64 1.37 1zi0A1 LEU 622 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 1zi0A1 LEU 622 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83 1zi0A1 LEU 623 H -0.11 0.15 -0.03 -0.55 8.37 7.83 1zi0A1 LEU 623 HA -0.14 0.26 0.84 -0.75 4.35 4.56 1zi0A1 LEU 623 HB2 -0.30 -0.04 0.00 -0.04 1.64 1.25 1zi0A1 LEU 623 HB3 -0.63 0.02 -0.11 -0.04 1.64 0.89 1zi0A1 LEU 623 HG -0.13 -0.00 -0.14 -0.04 1.64 1.33 1zi0A1 LEU 623 HD13 -0.18 -0.03 -0.12 -0.04 0.93 0.55 1zi0A1 LEU 623 HD23 -0.07 0.06 -0.19 -0.04 0.89 0.64 1zi0A1 PRO 624 HA -0.06 0.13 0.43 -0.51 4.44 4.43 1zi0A1 PRO 624 HB2 0.01 -0.02 0.16 -0.04 2.28 2.39 1zi0A1 PRO 624 HB3 -0.01 -0.00 0.06 -0.04 2.02 2.03 1zi0A1 PRO 624 HG2 0.09 0.08 0.10 -0.04 2.03 2.26 1zi0A1 PRO 624 HG3 0.05 -0.04 0.11 -0.04 2.03 2.11 1zi0A1 PRO 624 HD2 -0.09 0.17 0.14 -0.04 3.68 3.85 1zi0A1 PRO 624 HD3 -0.03 0.15 0.08 -0.04 3.65 3.80 1zi0A1 LEU 625 H -0.12 0.56 0.20 -0.55 8.37 8.46 1zi0A1 LEU 625 HA -0.06 0.02 0.58 -0.75 4.35 4.14 1zi0A1 LEU 625 HB2 -0.09 0.09 0.07 -0.04 1.64 1.67 1zi0A1 LEU 625 HB3 -0.07 -0.04 0.05 -0.04 1.64 1.54 1zi0A1 LEU 625 HG -0.25 0.17 -0.16 -0.04 1.64 1.36 1zi0A1 LEU 625 HD13 -0.13 -0.01 -0.07 -0.04 0.93 0.68 1zi0A1 LEU 625 HD23 -0.47 -0.02 -0.28 -0.04 0.89 0.08 1zi0A1 GLU 626 H 0.00 0.01 0.13 -0.55 8.60 8.19 1zi0A1 GLU 626 HA -0.00 0.15 0.54 -0.75 4.29 4.23 1zi0A1 GLU 626 HB2 0.01 -0.06 0.04 -0.04 2.09 2.05 1zi0A1 GLU 626 HB3 0.01 -0.10 0.12 -0.04 1.99 1.98 1zi0A1 GLU 626 HG2 0.03 0.07 0.00 -0.04 2.34 2.39 1zi0A1 GLU 626 HG3 0.03 -0.01 0.02 -0.04 2.34 2.34 1zi0A1 GLN 627 H -0.00 0.09 0.13 -0.55 8.47 8.14 1zi0A1 GLN 627 HA -0.02 0.16 0.35 -0.75 4.36 4.10 1zi0A1 GLN 627 HB2 -0.01 0.01 0.16 -0.04 2.15 2.27 1zi0A1 GLN 627 HB3 -0.00 -0.09 0.16 -0.04 2.02 2.04 1zi0A1 ASP 628 H 0.00 0.04 -0.05 -0.55 8.40 7.84 1zi0A1 ASP 628 HA -0.01 0.27 0.74 -0.75 4.63 4.88 1zi0A1 GLU 629 H -0.00 0.39 -0.64 -0.55 8.60 7.80 1zi0A1 GLU 629 HA 0.02 0.04 0.73 -0.75 4.29 4.33 1zi0A1 GLU 629 HB2 0.03 -0.04 -0.02 -0.04 2.09 2.01 1zi0A1 GLU 629 HB3 0.00 0.11 0.06 -0.04 1.99 2.13 1zi0A1 GLU 629 HG2 0.00 0.09 -0.25 -0.04 2.34 2.14 1zi0A1 GLU 629 HG3 0.06 -0.12 -0.09 -0.04 2.34 2.15 1zi0A1 ARG 630 H 0.02 0.09 0.21 -0.55 8.46 8.23 1zi0A1 ARG 630 HA -0.02 0.28 0.97 -0.75 4.34 4.82 1zi0A1 ARG 630 HB2 -0.01 0.06 0.08 -0.04 1.90 1.98 1zi0A1 ARG 630 HB3 -0.01 0.07 -0.09 -0.04 1.80 1.73 1zi0A1 ARG 630 HG2 0.01 -0.06 0.09 -0.04 1.67 1.67 1zi0A1 ARG 630 HG3 0.02 -0.02 -0.18 -0.04 1.67 1.45 1zi0A1 ARG 630 HD2 -0.00 0.05 -0.03 -0.04 3.22 3.20 1zi0A1 ARG 630 HD3 0.00 0.01 -0.02 -0.04 3.22 3.17 1zi0A1 ILE 631 H -0.01 0.20 0.14 -0.55 8.25 8.03 1zi0A1 ILE 631 HA 0.06 0.16 0.85 -0.75 4.18 4.50 1zi0A1 ILE 631 HB -0.00 0.00 0.13 -0.04 1.89 1.98 1zi0A1 ILE 631 HG12 0.02 0.03 -0.17 -0.04 1.49 1.33 1zi0A1 ILE 631 HG13 -0.03 -0.05 -0.13 -0.04 1.21 0.96 1zi0A1 ILE 631 HG23 0.05 0.02 -0.18 -0.04 0.93 0.79 1zi0A1 ILE 631 HD13 -0.04 0.01 -0.09 -0.04 0.88 0.71 1zi0A1 THR 632 H 0.10 0.42 0.28 -0.55 8.28 8.52 1zi0A1 THR 632 HA 0.04 0.25 0.94 -0.75 4.39 4.86 1zi0A1 THR 632 HB 0.03 0.04 -0.04 -0.04 4.32 4.31 1zi0A1 THR 632 HG23 0.04 0.04 -0.07 -0.04 1.22 1.18 1zi0A1 ALA 633 H 0.12 0.26 0.09 -0.55 8.40 8.32 1zi0A1 ALA 633 HA 0.05 0.12 0.49 -0.75 4.34 4.24 1zi0A1 ALA 633 HB3 -0.02 0.03 -0.08 -0.04 1.41 1.31 1zi0A1 ILE 634 H 0.06 0.26 0.13 -0.55 8.25 8.15 1zi0A1 ILE 634 HA 0.13 0.32 1.03 -0.75 4.18 4.91 1zi0A1 ILE 634 HB 0.04 -0.02 0.07 -0.04 1.89 1.94 1zi0A1 ILE 634 HG12 0.06 0.06 -0.15 -0.04 1.49 1.41 1zi0A1 ILE 634 HG13 0.05 -0.11 -0.44 -0.04 1.21 0.68 1zi0A1 ILE 634 HG23 0.04 0.00 -0.20 -0.04 0.93 0.73 1zi0A1 ILE 634 HD13 0.02 0.00 -0.12 -0.04 0.88 0.74 1zi0A1 LEU 635 H 0.13 0.59 0.21 -0.55 8.37 8.75 1zi0A1 LEU 635 HA 0.03 0.27 1.13 -0.75 4.35 5.02 1zi0A1 LEU 635 HB2 0.10 -0.06 0.05 -0.04 1.64 1.69 1zi0A1 LEU 635 HB3 0.00 0.05 -0.05 -0.04 1.64 1.59 1zi0A1 LEU 635 HG 0.11 -0.04 -0.33 -0.04 1.64 1.34 1zi0A1 LEU 635 HD13 -0.08 -0.02 -0.23 -0.04 0.93 0.57 1zi0A1 LEU 635 HD23 -0.03 0.08 -0.16 -0.04 0.89 0.73 1zi0A1 PRO 636 HA -0.01 0.22 0.59 -0.51 4.44 4.73 1zi0A1 PRO 636 HB2 -0.02 -0.04 0.05 -0.04 2.28 2.23 1zi0A1 PRO 636 HB3 -0.01 0.03 0.06 -0.04 2.02 2.05 1zi0A1 PRO 636 HG2 0.00 0.02 0.07 -0.04 2.03 2.07 1zi0A1 PRO 636 HG3 0.01 0.05 -0.01 -0.04 2.03 2.03 1zi0A1 PRO 636 HD2 -0.01 0.07 0.25 -0.04 3.68 3.95 1zi0A1 PRO 636 HD3 0.01 0.31 0.22 -0.04 3.65 4.14 1zi0A1 VAL 637 H -0.03 0.62 0.24 -0.55 8.24 8.52 1zi0A1 VAL 637 HA -0.15 0.11 0.87 -0.75 4.13 4.20 1zi0A1 VAL 637 HB -0.26 -0.02 -0.06 -0.04 2.12 1.74 1zi0A1 VAL 637 HG13 -1.03 0.00 -0.38 -0.04 0.97 -0.47 1zi0A1 VAL 637 HG23 -0.20 0.04 -0.32 -0.04 0.95 0.42 1zi0A1 THR 638 H -0.11 0.14 0.14 -0.55 8.28 7.90 1zi0A1 THR 638 HA 0.02 0.10 0.75 -0.75 4.39 4.51 1zi0A1 THR 638 HB -0.03 -0.03 0.17 -0.04 4.32 4.38 1zi0A1 THR 638 HG23 0.02 0.00 -0.11 -0.04 1.22 1.09 1zi0A1 GLU 639 H -0.12 0.17 0.16 -0.55 8.60 8.26 1zi0A1 GLU 639 HA 0.03 0.23 0.71 -0.75 4.29 4.51 1zi0A1 PHE 640 H 0.28 0.23 -0.00 -0.55 8.34 8.30 1zi0A1 PHE 640 HA -0.01 0.15 0.63 -0.75 4.62 4.64 1zi0A1 PHE 640 HB2 -0.02 -0.00 0.13 -0.04 3.15 3.22 1zi0A1 PHE 640 HB3 0.01 0.02 -0.04 -0.04 3.06 3.01 1zi0A1 PHE 640 HD2 -0.05 0.07 -0.09 -0.04 7.28 7.17 1zi0A1 PHE 640 HE2 -0.54 0.03 -0.18 -0.04 7.38 6.65 1zi0A1 PHE 640 HZ -0.30 0.01 -0.15 -0.04 7.32 6.84 1zi0A1 GLU 641 H 0.01 0.32 -0.22 -0.55 8.60 8.16 1zi0A1 GLU 641 HA 0.06 0.05 0.31 -0.75 4.29 3.96 1zi0A1 GLU 642 H 0.04 0.11 0.16 -0.55 8.60 8.36 1zi0A1 GLU 642 HA 0.05 0.12 0.43 -0.75 4.29 4.15 1zi0A1 GLU 642 HB2 0.03 0.02 0.16 -0.04 2.09 2.26 1zi0A1 GLU 642 HB3 0.03 -0.03 0.11 -0.04 1.99 2.06 1zi0A1 GLU 642 HG2 0.02 0.01 -0.01 -0.04 2.34 2.32 1zi0A1 GLU 642 HG3 0.03 0.01 -0.00 -0.04 2.34 2.34 1zi0A1 GLY 643 H 0.03 0.03 -0.10 -0.55 8.43 7.85 1zi0A1 GLY 643 HA2 0.03 0.22 0.69 -0.51 4.01 4.44 1zi0A1 GLY 643 HA3 0.02 -0.03 0.35 -0.51 4.01 3.85 1zi0A1 VAL 644 H 0.04 0.24 -0.28 -0.55 8.24 7.69 1zi0A1 VAL 644 HA 0.02 0.29 1.03 -0.75 4.13 4.73 1zi0A1 VAL 644 HB 0.02 0.00 0.03 -0.04 2.12 2.14 1zi0A1 VAL 644 HG13 -0.00 0.03 0.00 -0.04 0.97 0.97 1zi0A1 VAL 644 HG23 0.00 -0.03 -0.12 -0.04 0.95 0.75 1zi0A1 LYS 645 H 0.04 0.62 0.40 -0.55 8.42 8.92 1zi0A1 LYS 645 HA 0.08 0.10 1.08 -0.75 4.32 4.83 1zi0A1 LYS 645 HB2 0.08 0.02 -0.08 -0.04 1.87 1.86 1zi0A1 LYS 645 HB3 0.10 0.05 -0.17 -0.04 1.79 1.74 1zi0A1 LYS 645 HG2 0.08 -0.05 -0.35 -0.04 1.46 1.11 1zi0A1 LYS 645 HG3 0.08 0.03 -0.26 -0.04 1.46 1.26 1zi0A1 LYS 645 HD2 0.08 0.03 -0.20 -0.04 1.69 1.56 1zi0A1 LYS 645 HD3 0.06 -0.01 -0.17 -0.04 1.68 1.52 1zi0A1 LYS 645 HE2 0.05 0.01 -0.33 -0.04 2.99 2.68 1zi0A1 LYS 645 HE3 0.05 -0.00 -0.24 -0.04 2.99 2.76 1zi0A1 VAL 646 H 0.09 0.69 0.30 -0.55 8.24 8.77 1zi0A1 VAL 646 HA -0.04 0.18 0.85 -0.75 4.13 4.37 1zi0A1 VAL 646 HB 0.06 0.03 0.13 -0.04 2.12 2.31 1zi0A1 VAL 646 HG13 -0.18 0.00 -0.20 -0.04 0.97 0.56 1zi0A1 VAL 646 HG23 -0.32 -0.02 -0.13 -0.04 0.95 0.44 1zi0A1 PHE 647 H 0.06 0.70 0.31 -0.55 8.34 8.86 1zi0A1 PHE 647 HA -0.02 0.27 1.04 -0.75 4.62 5.16 1zi0A1 PHE 647 HB2 -0.03 -0.07 -0.16 -0.04 3.15 2.85 1zi0A1 PHE 647 HB3 -0.06 -0.04 -0.02 -0.04 3.06 2.90 1zi0A1 PHE 647 HD2 -0.02 -0.04 -0.32 -0.04 7.28 6.86 1zi0A1 PHE 647 HE2 0.04 0.01 -0.20 -0.04 7.38 7.19 1zi0A1 PHE 647 HZ 0.14 -0.02 -0.18 -0.04 7.32 7.23 1zi0A1 MET 648 H -0.55 0.69 0.36 -0.55 8.47 8.42 1zi0A1 MET 648 HA -0.09 0.36 1.12 -0.75 4.52 5.15 1zi0A1 MET 648 HB2 -0.15 -0.00 0.00 -0.04 2.15 1.97 1zi0A1 MET 648 HB3 -0.08 -0.03 -0.07 -0.04 2.03 1.82 1zi0A1 MET 648 HG2 -0.20 0.01 -0.19 -0.04 2.63 2.21 1zi0A1 MET 648 HG3 -0.14 -0.09 -0.48 -0.04 2.56 1.81 1zi0A1 MET 648 HE3 0.10 0.04 -0.19 -0.04 2.10 2.01 1zi0A1 ALA 649 H -0.01 0.55 0.32 -0.55 8.40 8.71 1zi0A1 ALA 649 HA 0.01 0.28 1.03 -0.75 4.34 4.91 1zi0A1 ALA 649 HB3 0.12 -0.01 -0.07 -0.04 1.41 1.41 1zi0A1 THR 650 H 0.02 0.61 0.22 -0.55 8.28 8.58 1zi0A1 THR 650 HA 0.02 0.21 1.00 -0.75 4.39 4.87 1zi0A1 THR 650 HB 0.02 -0.05 0.11 -0.04 4.32 4.36 1zi0A1 THR 650 HG23 0.00 0.04 -0.22 -0.04 1.22 1.00 1zi0A1 ALA 651 H 0.03 0.41 0.35 -0.55 8.40 8.64 1zi0A1 ALA 651 HA 0.04 0.18 0.59 -0.75 4.34 4.38 1zi0A1 ALA 651 HB3 0.03 0.02 0.19 -0.04 1.41 1.61 1zi0A1 ASN 652 H 0.02 0.03 -0.15 -0.55 8.53 7.88 1zi0A1 ASN 652 HA 0.02 0.27 0.82 -0.75 4.76 5.11 1zi0A1 ASN 652 HB2 0.02 0.06 0.15 -0.04 2.88 3.07 1zi0A1 ASN 652 HB3 0.02 0.01 0.06 -0.04 2.79 2.84 1zi0A1 ASN 652 HD21 0.01 0.00 -0.06 -0.04 7.03 6.94 1zi0A1 ASN 652 HD22 0.01 0.06 -0.02 -0.04 7.74 7.74 1zi0A1 GLY 653 H 0.03 0.30 -0.41 -0.55 8.43 7.81 1zi0A1 GLY 653 HA2 0.05 0.03 0.26 -0.51 4.01 3.84 1zi0A1 GLY 653 HA3 0.03 0.26 0.66 -0.51 4.01 4.46 1zi0A1 THR 654 H 0.03 -0.06 -0.12 -0.55 8.28 7.58 1zi0A1 THR 654 HA 0.02 0.19 0.74 -0.75 4.39 4.59 1zi0A1 THR 654 HB 0.01 -0.12 -0.02 -0.04 4.32 4.14 1zi0A1 THR 654 HG23 -0.01 0.07 -0.10 -0.04 1.22 1.15 1zi0A1 VAL 655 H 0.00 0.68 0.34 -0.55 8.24 8.72 1zi0A1 VAL 655 HA -0.08 0.30 0.89 -0.75 4.13 4.48 1zi0A1 VAL 655 HB -0.12 0.01 0.04 -0.04 2.12 2.02 1zi0A1 VAL 655 HG13 0.25 -0.02 -0.26 -0.04 0.97 0.90 1zi0A1 VAL 655 HG23 0.17 -0.02 -0.28 -0.04 0.95 0.78 1zi0A1 LYS 656 H -0.54 0.49 0.31 -0.55 8.42 8.14 1zi0A1 LYS 656 HA -0.16 0.03 0.50 -0.75 4.32 3.93 1zi0A1 LYS 656 HB2 -0.08 0.10 -0.07 -0.04 1.87 1.78 1zi0A1 LYS 656 HB3 -0.12 -0.01 -0.16 -0.04 1.79 1.46 1zi0A1 LYS 656 HG2 -0.06 0.04 -0.27 -0.04 1.46 1.12 1zi0A1 LYS 656 HG3 -0.05 -0.07 -0.01 -0.04 1.46 1.29 1zi0A1 LYS 656 HD2 -0.02 -0.02 -0.38 -0.04 1.69 1.22 1zi0A1 LYS 656 HD3 -0.02 -0.01 -0.16 -0.04 1.68 1.45 1zi0A1 LYS 656 HE2 0.02 -0.05 -0.23 -0.04 2.99 2.69 1zi0A1 LYS 656 HE3 -0.00 -0.09 -0.20 -0.04 2.99 2.66 1zi0A1 LYS 657 H -0.09 0.25 0.15 -0.55 8.42 8.18 1zi0A1 LYS 657 HA -0.10 0.42 0.99 -0.75 4.32 4.88 1zi0A1 LYS 657 HB2 0.09 -0.01 -0.06 -0.04 1.87 1.86 1zi0A1 LYS 657 HB3 -0.04 -0.04 -0.24 -0.04 1.79 1.43 1zi0A1 LYS 657 HG2 0.04 0.05 -0.30 -0.04 1.46 1.22 1zi0A1 LYS 657 HG3 0.06 -0.11 -0.31 -0.04 1.46 1.06 1zi0A1 LYS 657 HD2 0.16 -0.09 -0.20 -0.04 1.69 1.52 1zi0A1 LYS 657 HD3 0.21 0.07 -0.16 -0.04 1.68 1.76 1zi0A1 LYS 657 HE2 0.07 0.03 -0.15 -0.04 2.99 2.90 1zi0A1 LYS 657 HE3 0.08 -0.14 -0.13 -0.04 2.99 2.75 1zi0A1 THR 658 H 0.08 0.49 0.31 -0.55 8.28 8.61 1zi0A1 THR 658 HA 0.07 0.14 0.90 -0.75 4.39 4.75 1zi0A1 THR 658 HB 0.33 -0.05 -0.02 -0.04 4.32 4.54 1zi0A1 THR 658 HG23 0.05 0.06 0.00 -0.04 1.22 1.29 1zi0A1 VAL 659 H 0.09 0.15 0.16 -0.55 8.24 8.09 1zi0A1 VAL 659 HA 0.11 0.17 0.58 -0.75 4.13 4.23 1zi0A1 VAL 659 HB 0.08 0.09 0.13 -0.04 2.12 2.37 1zi0A1 VAL 659 HG13 0.05 0.02 0.04 -0.04 0.97 1.04 1zi0A1 VAL 659 HG23 0.06 -0.04 0.05 -0.04 0.95 0.98 1zi0A1 LEU 660 H 0.13 0.65 0.30 -0.55 8.37 8.91 1zi0A1 LEU 660 HA 0.33 0.05 0.26 -0.75 4.35 4.24 1zi0A1 LEU 660 HB2 0.08 -0.00 -0.10 -0.04 1.64 1.58 1zi0A1 LEU 660 HB3 0.13 0.14 0.00 -0.04 1.64 1.87 1zi0A1 LEU 660 HG 0.27 -0.05 -0.14 -0.04 1.64 1.68 1zi0A1 LEU 660 HD13 -0.00 0.00 -0.07 -0.04 0.93 0.81 1zi0A1 LEU 660 HD23 -0.09 -0.01 -0.03 -0.04 0.89 0.72 1zi0A1 THR 661 H 0.15 0.12 -0.42 -0.55 8.28 7.58 1zi0A1 THR 661 HA 0.14 0.10 0.37 -0.75 4.39 4.24 1zi0A1 THR 661 HB 0.02 -0.01 0.06 -0.04 4.32 4.35 1zi0A1 THR 661 HG23 0.08 0.04 -0.03 -0.04 1.22 1.27 1zi0A1 GLU 662 H 0.13 0.55 -0.32 -0.55 8.60 8.41 1zi0A1 GLU 662 HA -0.12 0.08 0.54 -0.75 4.29 4.04 1zi0A1 GLU 662 HB2 -0.18 0.18 0.02 -0.04 2.09 2.07 1zi0A1 GLU 662 HB3 -0.41 -0.02 0.04 -0.04 1.99 1.56 1zi0A1 GLU 662 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 1zi0A1 GLU 662 HG3 -0.09 -0.03 0.05 -0.04 2.34 2.23 1zi0A1 PHE 663 H 0.30 0.45 -0.34 -0.55 8.34 8.20 1zi0A1 PHE 663 HA -0.06 0.18 0.74 -0.75 4.62 4.72 1zi0A1 PHE 663 HB2 0.25 0.09 -0.04 -0.04 3.15 3.41 1zi0A1 PHE 663 HB3 0.08 -0.03 0.03 -0.04 3.06 3.10 1zi0A1 PHE 663 HD2 0.04 0.02 -0.12 -0.04 7.28 7.18 1zi0A1 PHE 663 HE2 0.08 0.01 -0.20 -0.04 7.38 7.23 1zi0A1 PHE 663 HZ 0.13 0.06 -0.11 -0.04 7.32 7.35 1zi0A1 ASN 664 H -0.22 0.27 -0.41 -0.55 8.53 7.62 1zi0A1 ASN 664 HA -1.89 0.03 0.28 -0.75 4.76 2.43 1zi0A1 ASN 664 HB2 -0.48 -0.05 0.05 -0.04 2.88 2.36 1zi0A1 ASN 664 HB3 -0.34 0.06 0.14 -0.04 2.79 2.60 1zi0A1 ASN 664 HD21 -0.10 -0.03 -0.02 -0.04 7.03 6.84 1zi0A1 ASN 664 HD22 -0.12 -0.05 -0.01 -0.04 7.74 7.51 1zi0A1 ARG 665 H -0.20 0.12 -0.31 -0.55 8.46 7.51 1zi0A1 ARG 665 HA -0.12 0.28 0.96 -0.75 4.34 4.70 1zi0A1 LEU 666 H -0.08 0.28 -0.28 -0.55 8.37 7.75 1zi0A1 LEU 666 HA -0.06 0.06 0.51 -0.75 4.35 4.11 1zi0A1 LEU 666 HB2 -0.01 0.00 -0.03 -0.04 1.64 1.56 1zi0A1 LEU 666 HB3 0.02 0.01 -0.03 -0.04 1.64 1.59 1zi0A1 ARG 667 H -0.03 0.09 0.14 -0.55 8.46 8.11 1zi0A1 ARG 667 HA 0.00 0.22 0.78 -0.75 4.34 4.59 1zi0A1 ARG 667 HB2 0.01 -0.08 0.20 -0.04 1.90 1.99 1zi0A1 ARG 667 HB3 -0.01 0.08 0.09 -0.04 1.80 1.92 1zi0A1 ARG 667 HG2 -0.03 0.04 0.07 -0.04 1.67 1.71 1zi0A1 ARG 667 HG3 -0.00 -0.24 -0.12 -0.04 1.67 1.26 1zi0A1 ARG 667 HD2 0.00 -0.05 0.04 -0.04 3.22 3.18 1zi0A1 ARG 667 HD3 -0.01 0.02 0.03 -0.04 3.22 3.22 1zi0A1 THR 668 H 0.02 0.13 0.23 -0.55 8.28 8.11 1zi0A1 THR 668 HA 0.06 0.34 0.61 -0.75 4.39 4.64 1zi0A1 THR 668 HB 0.02 -0.08 0.16 -0.04 4.32 4.38 1zi0A1 THR 668 HG23 0.02 0.01 -0.02 -0.04 1.22 1.19 1zi0A1 ALA 669 H 0.04 -0.02 -0.07 -0.55 8.40 7.80 1zi0A1 ALA 669 HA 0.12 0.13 0.46 -0.75 4.34 4.30 1zi0A1 ALA 669 HB3 0.04 -0.01 0.09 -0.04 1.41 1.49 1zi0A1 GLY 670 H 0.02 0.06 -0.50 -0.55 8.43 7.47 1zi0A1 GLY 670 HA2 -0.29 0.23 0.48 -0.51 4.01 3.93 1zi0A1 GLY 670 HA3 -0.59 0.08 0.41 -0.51 4.01 3.40 1zi0A1 LYS 671 H -0.36 0.42 0.33 -0.55 8.42 8.25 1zi0A1 LYS 671 HA -0.11 0.09 0.49 -0.75 4.32 4.04 1zi0A1 LYS 671 HB2 -0.09 -0.05 0.13 -0.04 1.87 1.81 1zi0A1 LYS 671 HB3 -0.10 0.07 -0.20 -0.04 1.79 1.52 1zi0A1 LYS 671 HG2 -0.13 -0.02 -0.11 -0.04 1.46 1.16 1zi0A1 LYS 671 HG3 -0.12 0.08 -0.49 -0.04 1.46 0.89 1zi0A1 LYS 671 HD2 -0.13 -0.01 -0.05 -0.04 1.69 1.46 1zi0A1 LYS 671 HD3 -0.12 -0.04 -0.06 -0.04 1.68 1.42 1zi0A1 LYS 671 HE2 -0.22 -0.04 -0.09 -0.04 2.99 2.60 1zi0A1 LYS 671 HE3 -0.27 0.06 -0.13 -0.04 2.99 2.61 1zi0A1 VAL 672 H -0.07 0.12 0.11 -0.55 8.24 7.85 1zi0A1 VAL 672 HA -0.05 0.09 0.57 -0.75 4.13 3.99 1zi0A1 VAL 672 HB -0.04 -0.05 0.08 -0.04 2.12 2.06 1zi0A1 VAL 672 HG13 -0.01 0.06 -0.34 -0.04 0.97 0.64 1zi0A1 VAL 672 HG23 -0.02 0.01 -0.01 -0.04 0.95 0.88 1zi0A1 ALA 673 H 0.03 0.57 0.45 -0.55 8.40 8.89 1zi0A1 ALA 673 HA 0.07 0.08 0.77 -0.75 4.34 4.51 1zi0A1 ALA 673 HB3 0.28 -0.02 -0.11 -0.04 1.41 1.53 1zi0A1 ILE 674 H 0.05 0.36 0.20 -0.55 8.25 8.30 1zi0A1 ILE 674 HA 0.02 0.23 0.56 -0.75 4.18 4.24 1zi0A1 ILE 674 HB 0.04 0.06 -0.19 -0.04 1.89 1.76 1zi0A1 ILE 674 HG12 0.01 0.07 -0.28 -0.04 1.49 1.25 1zi0A1 ILE 674 HG13 -0.00 0.11 -0.01 -0.04 1.21 1.27 1zi0A1 ILE 674 HG23 0.05 -0.05 -0.12 -0.04 0.93 0.77 1zi0A1 ILE 674 HD13 -0.02 -0.02 -0.20 -0.04 0.88 0.59 1zi0A1 LYS 675 H 0.00 0.52 0.04 -0.55 8.42 8.43 1zi0A1 LYS 675 HA 0.01 0.04 0.55 -0.75 4.32 4.17 1zi0A1 LYS 675 HB2 -0.00 -0.01 -0.16 -0.04 1.87 1.65 1zi0A1 LYS 675 HB3 -0.00 -0.05 -0.36 -0.04 1.79 1.34 1zi0A1 LYS 675 HG2 -0.00 -0.01 -0.40 -0.04 1.46 1.00 1zi0A1 LYS 675 HG3 -0.00 0.02 -0.11 -0.04 1.46 1.33 1zi0A1 LYS 675 HD2 -0.01 0.04 -0.13 -0.04 1.69 1.55 1zi0A1 LYS 675 HD3 -0.01 -0.08 -0.17 -0.04 1.68 1.38 1zi0A1 LYS 675 HE2 -0.00 -0.03 -0.12 -0.04 2.99 2.80 1zi0A1 LYS 675 HE3 -0.00 0.02 -0.08 -0.04 2.99 2.88 1zi0A1 LEU 676 H 0.01 0.17 0.11 -0.55 8.37 8.12 1zi0A1 LEU 676 HA 0.01 0.17 0.86 -0.75 4.35 4.63 1zi0A1 LEU 676 HB2 0.02 0.01 -0.03 -0.04 1.64 1.59 1zi0A1 LEU 676 HB3 0.01 0.03 -0.11 -0.04 1.64 1.54 1zi0A1 LEU 676 HG 0.02 0.12 -0.32 -0.04 1.64 1.42 1zi0A1 LEU 676 HD13 0.03 0.03 -0.23 -0.04 0.93 0.72 1zi0A1 LEU 676 HD23 0.02 -0.02 -0.29 -0.04 0.89 0.56 1zi0A1 VAL 677 H 0.01 0.10 0.09 -0.55 8.24 7.88 1zi0A1 VAL 677 HA 0.00 0.09 0.52 -0.75 4.13 3.99 1zi0A1 VAL 677 HB 0.00 0.01 0.06 -0.04 2.12 2.16 1zi0A1 VAL 677 HG13 0.00 0.01 -0.01 -0.04 0.97 0.93 1zi0A1 VAL 677 HG23 0.01 0.02 -0.10 -0.04 0.95 0.84 1zi0A1 ASP 678 H 0.01 0.09 0.13 -0.55 8.40 8.08 1zi0A1 ASP 678 HA 0.01 0.03 0.36 -0.75 4.63 4.28 1zi0A1 GLY 679 H 0.01 0.13 0.18 -0.55 8.43 8.20 1zi0A1 GLY 679 HA2 0.01 -0.00 0.36 -0.51 4.01 3.87 1zi0A1 GLY 679 HA3 0.01 0.09 0.52 -0.51 4.01 4.12 1zi0A1 ASP 680 H 0.01 0.39 -0.17 -0.55 8.40 8.09 1zi0A1 ASP 680 HA 0.02 0.15 0.81 -0.75 4.63 4.85 1zi0A1 ASP 680 HB2 0.01 0.05 -0.04 -0.04 2.71 2.68 1zi0A1 ASP 680 HB3 0.01 0.03 0.01 -0.04 2.70 2.71 1zi0A1 GLU 681 H 0.02 0.02 0.25 -0.55 8.60 8.35 1zi0A1 GLU 681 HA 0.03 0.16 0.52 -0.75 4.29 4.25 1zi0A1 GLU 681 HB2 0.03 0.13 0.22 -0.04 2.09 2.43 1zi0A1 GLU 681 HB3 0.03 0.12 0.02 -0.04 1.99 2.11 1zi0A1 GLU 681 HG2 0.02 -0.10 -0.08 -0.04 2.34 2.13 1zi0A1 GLU 681 HG3 0.03 -0.01 -0.11 -0.04 2.34 2.20 1zi0A1 LEU 682 H 0.04 0.34 0.16 -0.55 8.37 8.36 1zi0A1 LEU 682 HA 0.02 0.04 0.60 -0.75 4.35 4.26 1zi0A1 LEU 682 HB2 0.05 -0.02 0.02 -0.04 1.64 1.65 1zi0A1 LEU 682 HB3 0.07 0.10 0.19 -0.04 1.64 1.95 1zi0A1 LEU 682 HG 0.03 -0.01 -0.32 -0.04 1.64 1.30 1zi0A1 LEU 682 HD13 -0.02 0.04 -0.08 -0.04 0.93 0.83 1zi0A1 LEU 682 HD23 0.12 0.03 -0.10 -0.04 0.89 0.90 1zi0A1 ILE 683 H 0.02 0.45 0.41 -0.55 8.25 8.58 1zi0A1 ILE 683 HA 0.03 0.22 1.02 -0.75 4.18 4.70 1zi0A1 ILE 683 HB 0.03 0.07 0.09 -0.04 1.89 2.03 1zi0A1 ILE 683 HG12 0.04 0.09 -0.20 -0.04 1.49 1.38 1zi0A1 ILE 683 HG13 0.03 -0.05 -0.04 -0.04 1.21 1.12 1zi0A1 ILE 683 HG23 0.03 0.01 -0.14 -0.04 0.93 0.79 1zi0A1 ILE 683 HD13 0.04 0.00 -0.51 -0.04 0.88 0.38 1zi0A1 GLY 684 H 0.01 0.20 0.20 -0.55 8.43 8.30 1zi0A1 GLY 684 HA2 -0.01 0.23 0.78 -0.51 4.01 4.50 1zi0A1 GLY 684 HA3 0.02 -0.03 0.29 -0.51 4.01 3.78 1zi0A1 VAL 685 H -0.06 0.33 0.16 -0.55 8.24 8.11 1zi0A1 VAL 685 HA -0.13 0.42 0.96 -0.75 4.13 4.63 1zi0A1 VAL 685 HB -0.39 -0.05 -0.08 -0.04 2.12 1.57 1zi0A1 VAL 685 HG13 -1.00 -0.00 -0.19 -0.04 0.97 -0.26 1zi0A1 VAL 685 HG23 -0.37 -0.03 -0.34 -0.04 0.95 0.17 1zi0A1 ASP 686 H -0.06 0.52 0.33 -0.55 8.40 8.64 1zi0A1 ASP 686 HA -0.08 0.11 0.54 -0.75 4.63 4.45 1zi0A1 ASP 686 HB2 -0.04 0.01 -0.25 -0.04 2.71 2.39 1zi0A1 ASP 686 HB3 -0.04 0.01 -0.07 -0.04 2.70 2.56 1zi0A1 LEU 687 H -0.04 0.15 0.21 -0.55 8.37 8.14 1zi0A1 LEU 687 HA -0.02 0.34 1.06 -0.75 4.35 4.98 1zi0A1 LEU 687 HB2 -0.04 -0.03 0.15 -0.04 1.64 1.68 1zi0A1 LEU 687 HB3 -0.03 -0.01 0.09 -0.04 1.64 1.65 1zi0A1 LEU 687 HG -0.05 -0.04 -0.03 -0.04 1.64 1.48 1zi0A1 LEU 687 HD13 -0.06 0.01 0.00 -0.04 0.93 0.84 1zi0A1 LEU 687 HD23 -0.06 0.01 -0.10 -0.04 0.89 0.70 1zi0A1 THR 688 H 0.02 0.51 0.36 -0.55 8.28 8.62 1zi0A1 THR 688 HA -0.03 0.18 0.83 -0.75 4.39 4.61 1zi0A1 THR 688 HB -0.04 -0.03 -0.00 -0.04 4.32 4.21 1zi0A1 THR 688 HG23 -0.13 0.01 -0.32 -0.04 1.22 0.74 1zi0A1 SER 689 H -0.02 0.32 0.23 -0.55 8.46 8.44 1zi0A1 SER 689 HA 0.02 0.15 0.49 -0.75 4.49 4.39 1zi0A1 SER 689 HB2 0.01 0.01 0.19 -0.04 3.95 4.11 1zi0A1 SER 689 HB3 0.01 0.11 -0.03 -0.04 3.93 3.97 1zi0A1 GLY 690 H 0.01 0.19 0.16 -0.55 8.43 8.25 1zi0A1 GLY 690 HA2 0.01 0.07 0.37 -0.51 4.01 3.95 1zi0A1 GLY 690 HA3 -0.00 -0.02 0.40 -0.51 4.01 3.88 1zi0A1 GLU 691 H -0.01 0.11 0.18 -0.55 8.60 8.34 1zi0A1 GLU 691 HA -0.00 0.17 0.82 -0.75 4.29 4.53 1zi0A1 GLU 691 HB2 -0.01 0.00 0.11 -0.04 2.09 2.16 1zi0A1 GLU 691 HB3 -0.01 0.03 0.19 -0.04 1.99 2.17 1zi0A1 GLU 691 HG2 -0.00 -0.09 0.02 -0.04 2.34 2.23 1zi0A1 GLU 691 HG3 -0.00 0.02 0.03 -0.04 2.34 2.35 1zi0A1 ASP 692 H -0.03 0.37 -0.19 -0.55 8.40 8.01 1zi0A1 ASP 692 HA -0.06 0.05 0.45 -0.75 4.63 4.33 1zi0A1 ASP 692 HB2 -0.06 -0.07 0.11 -0.04 2.71 2.64 1zi0A1 ASP 692 HB3 -0.11 0.13 0.05 -0.04 2.70 2.73 1zi0A1 GLU 693 H -0.10 0.20 0.26 -0.55 8.60 8.40 1zi0A1 GLU 693 HA -0.14 0.09 1.06 -0.75 4.29 4.54 1zi0A1 GLU 693 HB2 -0.10 -0.01 0.07 -0.04 2.09 2.02 1zi0A1 GLU 693 HB3 -0.14 0.05 0.01 -0.04 1.99 1.87 1zi0A1 GLU 693 HG2 -0.05 -0.06 -0.18 -0.04 2.34 2.01 1zi0A1 GLU 693 HG3 -0.05 0.08 -0.15 -0.04 2.34 2.18 1zi0A1 VAL 694 H -0.40 0.74 0.38 -0.55 8.24 8.41 1zi0A1 VAL 694 HA -0.38 0.21 0.97 -0.75 4.13 4.17 1zi0A1 VAL 694 HB -1.06 -0.01 -0.03 -0.04 2.12 0.98 1zi0A1 VAL 694 HG13 -0.49 -0.01 -0.27 -0.04 0.97 0.15 1zi0A1 VAL 694 HG23 -0.97 -0.02 -0.28 -0.04 0.95 -0.36 1zi0A1 MET 695 H -0.22 0.51 0.31 -0.55 8.47 8.53 1zi0A1 MET 695 HA -0.29 0.32 1.12 -0.75 4.52 4.92 1zi0A1 MET 695 HB2 -0.04 -0.05 0.10 -0.04 2.15 2.12 1zi0A1 MET 695 HB3 -0.37 0.01 -0.03 -0.04 2.03 1.60 1zi0A1 MET 695 HG2 -0.18 0.05 -0.15 -0.04 2.63 2.30 1zi0A1 MET 695 HG3 -0.14 0.00 -0.23 -0.04 2.56 2.14 1zi0A1 MET 695 HE3 -0.04 -0.01 -0.14 -0.04 2.10 1.87 1zi0A1 LEU 696 H -0.26 0.49 0.28 -0.55 8.37 8.34 1zi0A1 LEU 696 HA 0.01 0.30 1.01 -0.75 4.35 4.91 1zi0A1 LEU 696 HB2 -0.02 -0.05 0.02 -0.04 1.64 1.55 1zi0A1 LEU 696 HB3 0.03 0.02 -0.06 -0.04 1.64 1.58 1zi0A1 LEU 696 HG -0.03 -0.03 -0.29 -0.04 1.64 1.24 1zi0A1 LEU 696 HD13 0.17 0.01 -0.25 -0.04 0.93 0.82 1zi0A1 LEU 696 HD23 0.08 0.04 -0.17 -0.04 0.89 0.79 1zi0A1 PHE 697 H 0.21 0.54 0.28 -0.55 8.34 8.82 1zi0A1 PHE 697 HA 0.03 0.29 1.01 -0.75 4.62 5.19 1zi0A1 PHE 697 HB2 -0.00 -0.06 0.05 -0.04 3.15 3.10 1zi0A1 PHE 697 HB3 0.02 0.08 -0.11 -0.04 3.06 3.01 1zi0A1 PHE 697 HD2 0.00 0.07 -0.24 -0.04 7.28 7.08 1zi0A1 PHE 697 HE2 -0.06 0.01 -0.23 -0.04 7.38 7.06 1zi0A1 PHE 697 HZ -0.41 -0.00 -0.20 -0.04 7.32 6.67 1zi0A1 SER 698 H 0.12 0.54 0.19 -0.55 8.46 8.77 1zi0A1 SER 698 HA 0.09 0.24 1.16 -0.75 4.49 5.22 1zi0A1 SER 698 HB2 0.05 0.05 0.08 -0.04 3.95 4.08 1zi0A1 SER 698 HB3 0.05 0.05 -0.15 -0.04 3.93 3.84 1zi0A1 ALA 699 H 0.05 0.48 0.35 -0.55 8.40 8.74 1zi0A1 ALA 699 HA 0.05 0.24 0.57 -0.75 4.34 4.44 1zi0A1 ALA 699 HB3 0.03 0.01 0.16 -0.04 1.41 1.57 1zi0A1 GLU 700 H 0.04 0.05 -0.09 -0.55 8.60 8.05 1zi0A1 GLU 700 HA 0.02 0.21 0.77 -0.75 4.29 4.53 1zi0A1 GLU 700 HB2 0.03 -0.05 0.06 -0.04 2.09 2.08 1zi0A1 GLU 700 HB3 0.02 0.05 0.16 -0.04 1.99 2.18 1zi0A1 GLU 700 HG2 0.02 0.06 -0.07 -0.04 2.34 2.30 1zi0A1 GLU 700 HG3 0.02 -0.09 -0.03 -0.04 2.34 2.20 1zi0A1 GLY 701 H 0.06 0.27 -0.61 -0.55 8.43 7.61 1zi0A1 GLY 701 HA2 0.09 0.07 0.27 -0.51 4.01 3.93 1zi0A1 GLY 701 HA3 0.05 0.24 0.60 -0.51 4.01 4.38 1zi0A1 LYS 702 H 0.06 -0.09 -0.09 -0.55 8.42 7.75 1zi0A1 LYS 702 HA 0.04 0.34 0.90 -0.75 4.32 4.84 1zi0A1 LYS 702 HB2 0.03 -0.15 -0.03 -0.04 1.87 1.67 1zi0A1 LYS 702 HB3 0.02 0.18 0.08 -0.04 1.79 2.03 1zi0A1 LYS 702 HG2 0.03 -0.13 -0.19 -0.04 1.46 1.12 1zi0A1 LYS 702 HG3 0.02 0.03 -0.05 -0.04 1.46 1.41 1zi0A1 LYS 702 HD2 0.01 0.14 -0.21 -0.04 1.69 1.59 1zi0A1 LYS 702 HD3 0.02 0.01 -0.29 -0.04 1.68 1.39 1zi0A1 LYS 702 HE2 0.01 -0.04 -0.12 -0.04 2.99 2.80 1zi0A1 LYS 702 HE3 0.01 0.01 -0.11 -0.04 2.99 2.86 1zi0A1 VAL 703 H -0.00 0.47 0.27 -0.55 8.24 8.42 1zi0A1 VAL 703 HA -0.19 0.30 0.70 -0.75 4.13 4.19 1zi0A1 VAL 703 HB -0.09 0.04 -0.26 -0.04 2.12 1.77 1zi0A1 VAL 703 HG13 0.12 0.00 -0.30 -0.04 0.97 0.75 1zi0A1 VAL 703 HG23 -0.77 0.02 -0.15 -0.04 0.95 -0.00 1zi0A1 VAL 704 H -0.20 0.46 0.30 -0.55 8.24 8.25 1zi0A1 VAL 704 HA 0.00 0.08 0.76 -0.75 4.13 4.21 1zi0A1 VAL 704 HB 0.03 0.02 -0.20 -0.04 2.12 1.93 1zi0A1 VAL 704 HG13 0.10 0.03 -0.09 -0.04 0.97 0.97 1zi0A1 VAL 704 HG23 0.13 -0.02 -0.04 -0.04 0.95 0.98 1zi0A1 ARG 705 H 0.05 0.15 0.14 -0.55 8.46 8.24 1zi0A1 ARG 705 HA -0.19 0.38 1.07 -0.75 4.34 4.84 1zi0A1 ARG 705 HB2 -0.09 -0.01 -0.15 -0.04 1.90 1.61 1zi0A1 ARG 705 HB3 -0.00 0.17 0.10 -0.04 1.80 2.03 1zi0A1 ARG 705 HG2 -0.03 -0.10 -0.25 -0.04 1.67 1.24 1zi0A1 ARG 705 HG3 -0.11 0.02 -0.10 -0.04 1.67 1.44 1zi0A1 ARG 705 HD2 -0.02 -0.04 -0.13 -0.04 3.22 2.98 1zi0A1 ARG 705 HD3 0.03 0.18 -0.29 -0.04 3.22 3.10 1zi0A1 PHE 706 H -0.48 0.58 0.30 -0.55 8.34 8.19 1zi0A1 PHE 706 HA -0.03 0.19 0.69 -0.75 4.62 4.71 1zi0A1 PHE 706 HB2 -0.01 -0.06 0.11 -0.04 3.15 3.15 1zi0A1 PHE 706 HB3 -0.02 0.05 -0.43 -0.04 3.06 2.62 1zi0A1 PHE 706 HD2 -0.01 0.06 -0.44 -0.04 7.28 6.86 1zi0A1 PHE 706 HE2 0.07 0.05 -0.18 -0.04 7.38 7.27 1zi0A1 PHE 706 HZ 0.14 -0.01 -0.14 -0.04 7.32 7.27 1zi0A1 LYS 707 H 0.22 0.17 0.16 -0.55 8.42 8.42 1zi0A1 LYS 707 HA -0.00 0.20 0.73 -0.75 4.32 4.49 1zi0A1 LYS 707 HB2 0.09 -0.02 0.15 -0.04 1.87 2.06 1zi0A1 LYS 707 HB3 0.05 -0.08 0.02 -0.04 1.79 1.74 1zi0A1 GLU 708 H -0.05 0.61 0.23 -0.55 8.60 8.85 1zi0A1 GLU 708 HA 0.09 0.05 0.25 -0.75 4.29 3.92 1zi0A1 GLU 708 HB2 -0.18 0.02 -0.11 -0.04 2.09 1.79 1zi0A1 GLU 708 HB3 -0.02 0.07 -0.02 -0.04 1.99 1.97 1zi0A1 GLU 708 HG2 0.21 0.00 -0.09 -0.04 2.34 2.42 1zi0A1 GLU 708 HG3 0.02 -0.04 -0.18 -0.04 2.34 2.10 1zi0A1 SER 709 H 0.05 0.10 -0.30 -0.55 8.46 7.77 1zi0A1 SER 709 HA 0.06 0.10 0.31 -0.75 4.49 4.21 1zi0A1 SER 709 HB2 0.04 -0.00 0.04 -0.04 3.95 3.99 1zi0A1 SER 709 HB3 0.03 0.07 0.07 -0.04 3.93 4.06 1zi0A1 SER 710 H 0.12 0.43 -0.48 -0.55 8.46 7.98 1zi0A1 SER 710 HA 0.04 0.08 0.50 -0.75 4.49 4.36 1zi0A1 SER 710 HB2 -0.01 -0.04 0.14 -0.04 3.95 3.99 1zi0A1 SER 710 HB3 0.05 -0.09 0.08 -0.04 3.93 3.94 1zi0A1 VAL 711 H 0.14 0.52 -0.48 -0.55 8.24 7.87 1zi0A1 VAL 711 HA 0.06 0.09 0.84 -0.75 4.13 4.37 1zi0A1 VAL 711 HB 0.28 0.11 0.02 -0.04 2.12 2.50 1zi0A1 VAL 711 HG13 0.05 -0.01 -0.25 -0.04 0.97 0.72 1zi0A1 VAL 711 HG23 0.35 -0.01 -0.20 -0.04 0.95 1.05 1zi0A1 ARG 712 H 0.03 0.10 0.06 -0.55 8.46 8.10 1zi0A1 ARG 712 HA 0.03 0.07 0.50 -0.75 4.34 4.19 1zi0A1 ARG 712 HB2 0.01 0.01 0.05 -0.04 1.90 1.94 1zi0A1 ARG 712 HB3 0.01 -0.04 0.07 -0.04 1.80 1.80 1zi0A1 ARG 712 HG2 0.01 0.20 -0.11 -0.04 1.67 1.74 1zi0A1 ARG 712 HG3 0.01 -0.04 0.04 -0.04 1.67 1.64 1zi0A1 ARG 712 HD2 0.00 -0.02 -0.00 -0.04 3.22 3.17 1zi0A1 ARG 712 HD3 0.00 -0.03 -0.03 -0.04 3.22 3.13 1zi0A1 ALA 713 H 0.03 0.07 0.16 -0.55 8.40 8.11 1zi0A1 ALA 713 HA 0.03 0.19 0.46 -0.75 4.34 4.27 1zi0A1 ALA 713 HB3 0.04 -0.02 0.07 -0.04 1.41 1.45 1zi0A1 MET 714 H 0.02 0.64 0.44 -0.55 8.47 9.02 1zi0A1 MET 714 HA 0.00 0.10 0.82 -0.75 4.52 4.69 1zi0A1 MET 714 HB2 -0.01 0.06 0.02 -0.04 2.15 2.19 1zi0A1 MET 714 HB3 -0.01 -0.10 0.10 -0.04 2.03 1.98 1zi0A1 MET 714 HG2 -0.00 0.02 -0.14 -0.04 2.63 2.47 1zi0A1 MET 714 HG3 -0.00 0.19 -0.47 -0.04 2.56 2.24 1zi0A1 MET 714 HE3 -0.01 -0.01 0.00 -0.04 2.10 2.04 1zi0A1 GLY 715 H -0.01 0.07 0.10 -0.55 8.43 8.05 1zi0A1 GLY 715 HA2 -0.03 0.10 0.55 -0.51 4.01 4.12 1zi0A1 GLY 715 HA3 -0.03 -0.01 0.31 -0.51 4.01 3.77 1zi0A1 CYS 716 H -0.08 0.10 0.13 -0.55 8.50 8.10 1zi0A1 CYS 716 HA -0.03 0.22 0.37 -0.75 4.58 4.39 1zi0A1 CYS 716 HB2 -0.13 -0.11 0.12 -0.04 2.97 2.81 1zi0A1 CYS 716 HB3 -0.11 0.30 0.04 -0.04 2.97 3.16 1zi0A1 ASN 717 H -0.04 -0.00 -0.24 -0.55 8.53 7.70 1zi0A1 ASN 717 HA -0.02 0.25 0.70 -0.75 4.76 4.93 1zi0A1 ASN 717 HB2 -0.04 0.00 0.00 -0.04 2.88 2.81 1zi0A1 ASN 717 HB3 -0.03 -0.04 0.11 -0.04 2.79 2.80 1zi0A1 ASN 717 HD21 -0.02 -0.00 0.02 -0.04 7.03 6.99 1zi0A1 ASN 717 HD22 -0.02 -0.02 0.05 -0.04 7.74 7.70 1zi0A1 THR 718 H -0.01 0.48 -0.38 -0.55 8.28 7.82 1zi0A1 THR 718 HA -0.01 0.18 0.85 -0.75 4.39 4.66 1zi0A1 THR 718 HB -0.01 -0.14 0.09 -0.04 4.32 4.22 1zi0A1 THR 718 HG23 -0.01 -0.03 -0.20 -0.04 1.22 0.93 1zi0A1 THR 719 H -0.01 0.08 0.14 -0.55 8.28 7.94 1zi0A1 THR 719 HA -0.01 0.32 0.72 -0.75 4.39 4.67 1zi0A1 THR 719 HB -0.01 -0.02 0.12 -0.04 4.32 4.37 1zi0A1 THR 719 HG23 -0.00 0.01 -0.17 -0.04 1.22 1.02 1zi0A1 GLY 720 H -0.01 -0.01 0.08 -0.55 8.43 7.94 1zi0A1 GLY 720 HA2 -0.03 -0.02 0.34 -0.51 4.01 3.79 1zi0A1 GLY 720 HA3 -0.03 0.32 0.91 -0.51 4.01 4.69 1zi0A1 VAL 721 H -0.03 0.57 0.33 -0.55 8.24 8.56 1zi0A1 VAL 721 HA -0.01 0.20 0.97 -0.75 4.13 4.53 1zi0A1 VAL 721 HB -0.02 -0.09 0.18 -0.04 2.12 2.14 1zi0A1 VAL 721 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.80 1zi0A1 VAL 721 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 1zi0A1 ARG 722 H -0.02 0.13 0.13 -0.55 8.46 8.15 1zi0A1 ARG 722 HA 0.00 0.10 0.57 -0.75 4.34 4.26 1zi0A1 ARG 722 HB2 -0.03 0.00 0.09 -0.04 1.90 1.91 1zi0A1 ARG 722 HB3 -0.02 0.02 -0.08 -0.04 1.80 1.68 1zi0A1 ARG 722 HG2 -0.01 0.05 -0.04 -0.04 1.67 1.63 1zi0A1 ARG 722 HG3 -0.01 -0.06 0.03 -0.04 1.67 1.59 1zi0A1 ARG 722 HD2 -0.01 0.04 -0.03 -0.04 3.22 3.18 1zi0A1 ARG 722 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.16 1zi0A1 GLY 723 H 0.04 0.54 0.35 -0.55 8.43 8.81 1zi0A1 GLY 723 HA2 0.04 0.10 0.82 -0.51 4.01 4.46 1zi0A1 GLY 723 HA3 0.18 0.08 0.22 -0.51 4.01 3.98 1zi0A1 ILE 724 H 0.05 0.44 0.25 -0.55 8.25 8.44 1zi0A1 ILE 724 HA 0.04 0.12 0.64 -0.75 4.18 4.22 1zi0A1 ILE 724 HB 0.08 0.02 -0.17 -0.04 1.89 1.78 1zi0A1 ILE 724 HG12 0.03 -0.03 -0.67 -0.04 1.49 0.77 1zi0A1 ILE 724 HG13 0.03 0.22 -0.07 -0.04 1.21 1.36 1zi0A1 ILE 724 HG23 0.05 -0.02 -0.15 -0.04 0.93 0.78 1zi0A1 ILE 724 HD13 0.02 -0.01 -0.30 -0.04 0.88 0.55 1zi0A1 ARG 725 H 0.01 0.64 -0.17 -0.55 8.46 8.39 1zi0A1 ARG 725 HA 0.01 0.07 0.56 -0.75 4.34 4.22 1zi0A1 ARG 725 HB2 -0.00 0.14 -0.22 -0.04 1.90 1.78 1zi0A1 ARG 725 HB3 0.00 -0.10 -0.28 -0.04 1.80 1.38 1zi0A1 ARG 725 HG2 0.00 0.03 -0.24 -0.04 1.67 1.42 1zi0A1 ARG 725 HG3 0.00 0.00 -0.06 -0.04 1.67 1.58 1zi0A1 ARG 725 HD2 -0.01 0.09 -0.02 -0.04 3.22 3.24 1zi0A1 ARG 725 HD3 -0.00 -0.08 -0.06 -0.04 3.22 3.04 1zi0A1 LEU 726 H 0.01 0.20 0.09 -0.55 8.37 8.13 1zi0A1 LEU 726 HA 0.02 0.09 0.57 -0.75 4.35 4.27 1zi0A1 LEU 726 HB2 0.02 0.03 -0.01 -0.04 1.64 1.64 1zi0A1 LEU 726 HB3 0.02 0.02 -0.09 -0.04 1.64 1.55 1zi0A1 LEU 726 HG 0.03 0.10 -0.24 -0.04 1.64 1.48 1zi0A1 LEU 726 HD13 0.03 0.03 -0.23 -0.04 0.93 0.71 1zi0A1 LEU 726 HD23 0.03 -0.03 -0.31 -0.04 0.89 0.54 1zi0A1 GLY 727 H 0.02 0.05 0.10 -0.55 8.43 8.06 1zi0A1 GLY 727 HA2 0.01 0.11 0.52 -0.51 4.01 4.14 1zi0A1 GLY 727 HA3 0.01 0.04 0.30 -0.51 4.01 3.84 1zi0A1 GLU 728 H 0.01 0.11 0.13 -0.55 8.60 8.30 1zi0A1 GLU 728 HA 0.01 0.07 0.42 -0.75 4.29 4.03 1zi0A1 GLU 728 HB2 0.01 0.01 0.15 -0.04 2.09 2.21 1zi0A1 GLU 728 HB3 0.01 -0.02 0.17 -0.04 1.99 2.11 1zi0A1 GLY 729 H 0.01 0.19 0.19 -0.55 8.43 8.28 1zi0A1 GLY 729 HA2 0.01 0.01 0.35 -0.51 4.01 3.87 1zi0A1 GLY 729 HA3 0.01 0.13 0.69 -0.51 4.01 4.33 1zi0A1 ASP 730 H 0.02 0.39 -0.31 -0.55 8.40 7.95 1zi0A1 ASP 730 HA 0.02 0.08 0.60 -0.75 4.63 4.58 1zi0A1 ASP 730 HB2 0.02 0.01 -0.03 -0.04 2.71 2.67 1zi0A1 ASP 730 HB3 0.02 0.02 0.01 -0.04 2.70 2.71 1zi0A1 LYS 731 H 0.03 0.04 0.28 -0.55 8.42 8.22 1zi0A1 LYS 731 HA 0.03 0.24 0.76 -0.75 4.32 4.60 1zi0A1 LYS 731 HB2 0.03 0.09 0.18 -0.04 1.87 2.13 1zi0A1 LYS 731 HB3 0.02 0.08 -0.16 -0.04 1.79 1.70 1zi0A1 LYS 731 HG2 0.03 -0.09 0.01 -0.04 1.46 1.36 1zi0A1 LYS 731 HG3 0.03 -0.02 -0.20 -0.04 1.46 1.23 1zi0A1 VAL 732 H 0.04 0.46 0.29 -0.55 8.24 8.48 1zi0A1 VAL 732 HA 0.07 0.09 0.73 -0.75 4.13 4.25 1zi0A1 VAL 732 HB 0.05 0.03 0.13 -0.04 2.12 2.29 1zi0A1 VAL 732 HG13 0.07 0.01 -0.20 -0.04 0.97 0.81 1zi0A1 VAL 732 HG23 0.05 -0.01 -0.14 -0.04 0.95 0.81 1zi0A1 VAL 733 H 0.09 0.51 0.38 -0.55 8.24 8.68 1zi0A1 VAL 733 HA 0.05 0.23 1.04 -0.75 4.13 4.69 1zi0A1 VAL 733 HB 0.04 0.16 0.06 -0.04 2.12 2.34 1zi0A1 VAL 733 HG13 0.04 0.01 -0.17 -0.04 0.97 0.82 1zi0A1 VAL 733 HG23 0.06 -0.01 -0.37 -0.04 0.95 0.59 1zi0A1 SER 734 H 0.12 0.20 0.23 -0.55 8.46 8.46 1zi0A1 SER 734 HA 0.05 0.24 0.77 -0.75 4.49 4.79 1zi0A1 SER 734 HB2 0.06 -0.12 -0.01 -0.04 3.95 3.84 1zi0A1 SER 734 HB3 -0.00 0.15 0.07 -0.04 3.93 4.10 1zi0A1 LEU 735 H 0.05 0.29 0.20 -0.55 8.37 8.36 1zi0A1 LEU 735 HA 0.07 0.27 0.98 -0.75 4.35 4.92 1zi0A1 LEU 735 HB2 0.07 -0.00 -0.06 -0.04 1.64 1.60 1zi0A1 LEU 735 HB3 0.04 -0.02 0.08 -0.04 1.64 1.69 1zi0A1 LEU 735 HG -0.00 -0.03 -0.42 -0.04 1.64 1.14 1zi0A1 LEU 735 HD13 -0.05 0.01 -0.15 -0.04 0.93 0.70 1zi0A1 LEU 735 HD23 0.10 -0.03 -0.36 -0.04 0.89 0.56 1zi0A1 ILE 736 H 0.02 0.74 0.29 -0.55 8.25 8.75 1zi0A1 ILE 736 HA -0.02 0.21 0.91 -0.75 4.18 4.54 1zi0A1 ILE 736 HB 0.14 -0.02 -0.01 -0.04 1.89 1.95 1zi0A1 ILE 736 HG12 -0.03 0.11 -0.03 -0.04 1.49 1.51 1zi0A1 ILE 736 HG13 0.08 -0.03 -0.52 -0.04 1.21 0.70 1zi0A1 ILE 736 HG23 -0.03 -0.02 -0.31 -0.04 0.93 0.53 1zi0A1 ILE 736 HD13 -0.13 -0.00 -0.33 -0.04 0.88 0.37 1zi0A1 VAL 737 H -0.07 0.22 0.05 -0.55 8.24 7.90 1zi0A1 VAL 737 HA -0.16 0.33 0.89 -0.75 4.13 4.43 1zi0A1 VAL 737 HB -0.09 -0.05 0.21 -0.04 2.12 2.15 1zi0A1 VAL 737 HG13 -0.11 0.04 -0.01 -0.04 0.97 0.86 1zi0A1 VAL 737 HG23 -0.19 0.01 -0.09 -0.04 0.95 0.64 1zi0A1 PRO 738 HA -0.05 -0.01 0.46 -0.51 4.44 4.32 1zi0A1 PRO 738 HB2 -0.05 0.03 -0.08 -0.04 2.28 2.14 1zi0A1 PRO 738 HB3 -0.06 0.03 -0.04 -0.04 2.02 1.91 1zi0A1 PRO 738 HG2 -0.08 -0.05 0.07 -0.04 2.03 1.93 1zi0A1 PRO 738 HG3 -0.09 0.06 -0.08 -0.04 2.03 1.89 1zi0A1 PRO 738 HD2 -0.14 0.38 0.12 -0.04 3.68 4.01 1zi0A1 PRO 738 HD3 -0.11 0.24 -0.12 -0.04 3.65 3.62 1zi0A1 ARG 739 H -0.04 0.17 0.08 -0.55 8.46 8.12 1zi0A1 ARG 739 HA -0.03 0.11 0.81 -0.75 4.34 4.47 1zi0A1 ARG 739 HB2 -0.03 -0.02 0.19 -0.04 1.90 2.01 1zi0A1 ARG 739 HB3 -0.03 -0.04 0.07 -0.04 1.80 1.76 1zi0A1 ARG 739 HG2 -0.04 0.07 -0.11 -0.04 1.67 1.54 1zi0A1 ARG 739 HG3 -0.05 0.19 -0.31 -0.04 1.67 1.46 1zi0A1 ARG 739 HD2 -0.03 -0.02 0.03 -0.04 3.22 3.16 1zi0A1 ARG 739 HD3 -0.03 -0.05 0.01 -0.04 3.22 3.11 1zi0A1 GLY 740 H -0.02 0.18 0.08 -0.55 8.43 8.12 1zi0A1 GLY 740 HA2 -0.01 0.04 0.33 -0.51 4.01 3.85 1zi0A1 GLY 740 HA3 -0.01 0.17 0.91 -0.51 4.01 4.56 1zi0A1 ASP 741 H -0.01 0.13 0.15 -0.55 8.40 8.12 1zi0A1 ASP 741 HA 0.00 0.22 0.75 -0.75 4.63 4.85 1zi0A1 ASP 741 HB2 -0.00 -0.02 0.11 -0.04 2.71 2.76 1zi0A1 ASP 741 HB3 0.00 0.00 0.17 -0.04 2.70 2.83 1zi0A1 GLY 742 H -0.01 0.07 -0.25 -0.55 8.43 7.70 1zi0A1 GLY 742 HA2 -0.01 -0.02 0.51 -0.51 4.01 3.98 1zi0A1 GLY 742 HA3 -0.01 0.07 0.25 -0.51 4.01 3.81 1zi0A1 ALA 743 H -0.00 0.14 0.24 -0.55 8.40 8.24 1zi0A1 ALA 743 HA 0.02 -0.05 0.61 -0.75 4.34 4.17 1zi0A1 ALA 743 HB3 0.02 0.00 -0.03 -0.04 1.41 1.36 1zi0A1 ILE 744 H 0.04 0.55 0.24 -0.55 8.25 8.54 1zi0A1 ILE 744 HA -0.08 0.14 0.73 -0.75 4.18 4.22 1zi0A1 ILE 744 HB 0.02 0.04 0.09 -0.04 1.89 2.00 1zi0A1 ILE 744 HG12 -0.07 -0.06 -0.02 -0.04 1.49 1.30 1zi0A1 ILE 744 HG13 -0.46 0.03 -0.09 -0.04 1.21 0.65 1zi0A1 ILE 744 HG23 -0.24 -0.00 -0.28 -0.04 0.93 0.37 1zi0A1 ILE 744 HD13 -0.11 0.00 -0.20 -0.04 0.88 0.53 1zi0A1 LEU 745 H -0.09 0.77 0.32 -0.55 8.37 8.83 1zi0A1 LEU 745 HA -0.02 0.29 0.97 -0.75 4.35 4.84 1zi0A1 LEU 745 HB2 -0.03 -0.06 -0.11 -0.04 1.64 1.40 1zi0A1 LEU 745 HB3 -0.06 -0.00 0.05 -0.04 1.64 1.60 1zi0A1 LEU 745 HG -0.02 0.07 -0.14 -0.04 1.64 1.52 1zi0A1 LEU 745 HD13 -0.02 -0.02 -0.21 -0.04 0.93 0.64 1zi0A1 LEU 745 HD23 -0.03 0.01 -0.50 -0.04 0.89 0.33 1zi0A1 THR 746 H -0.01 0.49 0.30 -0.55 8.28 8.51 1zi0A1 THR 746 HA -0.09 0.27 1.06 -0.75 4.39 4.88 1zi0A1 THR 746 HB -0.07 -0.05 -0.19 -0.04 4.32 3.97 1zi0A1 THR 746 HG23 0.04 0.02 -0.15 -0.04 1.22 1.09 1zi0A1 ALA 747 H -0.02 0.43 0.27 -0.55 8.40 8.52 1zi0A1 ALA 747 HA 0.03 0.30 1.02 -0.75 4.34 4.94 1zi0A1 ALA 747 HB3 0.00 -0.00 -0.10 -0.04 1.41 1.27 1zi0A1 THR 748 H 0.07 0.55 0.23 -0.55 8.28 8.58 1zi0A1 THR 748 HA 0.03 0.18 1.07 -0.75 4.39 4.92 1zi0A1 THR 748 HB 0.02 0.11 -0.23 -0.04 4.32 4.18 1zi0A1 THR 748 HG23 0.03 -0.01 -0.31 -0.04 1.22 0.89 1zi0A1 GLN 749 H 0.03 0.53 0.20 -0.55 8.47 8.68 1zi0A1 GLN 749 HA 0.04 0.08 0.49 -0.75 4.36 4.22 1zi0A1 GLN 749 HB2 0.02 -0.07 0.19 -0.04 2.15 2.26 1zi0A1 GLN 749 HB3 0.03 -0.04 0.11 -0.04 2.02 2.08 1zi0A1 GLN 749 HG2 0.02 0.16 0.08 -0.04 2.40 2.62 1zi0A1 GLN 749 HG3 0.02 0.23 0.09 -0.04 2.39 2.70 1zi0A1 GLN 749 HE21 0.02 -0.03 0.01 -0.04 6.97 6.93 1zi0A1 GLN 749 HE22 0.02 0.10 0.02 -0.04 7.69 7.79 1zi0A1 ASN 750 H 0.07 0.48 -0.02 -0.55 8.53 8.51 1zi0A1 ASN 750 HA 0.08 0.18 0.75 -0.75 4.76 5.01 1zi0A1 ASN 750 HB2 0.12 0.08 0.15 -0.04 2.88 3.19 1zi0A1 ASN 750 HB3 0.18 -0.08 0.23 -0.04 2.79 3.08 1zi0A1 ASN 750 HD21 0.01 -0.06 -0.11 -0.04 7.03 6.83 1zi0A1 ASN 750 HD22 -0.01 0.54 -0.13 -0.04 7.74 8.10 1zi0A1 GLY 751 H 0.10 0.42 -0.42 -0.55 8.43 7.98 1zi0A1 GLY 751 HA2 0.03 0.06 0.28 -0.51 4.01 3.87 1zi0A1 GLY 751 HA3 0.01 0.23 0.68 -0.51 4.01 4.42 1zi0A1 TYR 752 H 0.33 0.07 -0.10 -0.55 8.29 8.04 1zi0A1 TYR 752 HA -0.00 0.15 0.58 -0.75 4.56 4.54 1zi0A1 TYR 752 HB2 0.00 -0.04 0.00 -0.04 3.06 2.99 1zi0A1 TYR 752 HB3 0.00 0.15 -0.06 -0.04 2.98 3.03 1zi0A1 TYR 752 HD2 0.00 0.05 -0.41 -0.04 7.15 6.75 1zi0A1 TYR 752 HE2 0.00 0.06 -0.08 -0.04 6.85 6.79 1zi0A1 GLY 753 H 0.08 0.31 0.25 -0.55 8.43 8.52 1zi0A1 GLY 753 HA2 0.05 0.24 0.62 -0.51 4.01 4.42 1zi0A1 GLY 753 HA3 0.02 0.04 0.35 -0.51 4.01 3.91 1zi0A1 LYS 754 H 0.02 0.49 0.31 -0.55 8.42 8.69 1zi0A1 LYS 754 HA 0.02 0.07 0.44 -0.75 4.32 4.10 1zi0A1 LYS 754 HB2 0.03 0.02 0.16 -0.04 1.87 2.05 1zi0A1 LYS 754 HB3 0.04 0.01 -0.00 -0.04 1.79 1.80 1zi0A1 LYS 754 HG2 0.05 -0.11 -0.28 -0.04 1.46 1.08 1zi0A1 LYS 754 HG3 0.05 -0.03 -0.24 -0.04 1.46 1.20 1zi0A1 LYS 754 HD2 0.05 0.01 -0.74 -0.04 1.69 0.97 1zi0A1 LYS 754 HD3 0.04 0.03 -0.24 -0.04 1.68 1.47 1zi0A1 LYS 754 HE2 0.05 -0.05 -0.13 -0.04 2.99 2.82 1zi0A1 LYS 754 HE3 0.07 -0.07 -0.17 -0.04 2.99 2.78 1zi0A1 ARG 755 H 0.02 0.42 0.27 -0.55 8.46 8.62 1zi0A1 ARG 755 HA 0.04 0.40 1.10 -0.75 4.34 5.12 1zi0A1 ARG 755 HB2 0.02 0.04 -0.13 -0.04 1.90 1.79 1zi0A1 ARG 755 HB3 0.02 -0.11 -0.10 -0.04 1.80 1.57 1zi0A1 ARG 755 HG2 0.00 0.01 -0.28 -0.04 1.67 1.37 1zi0A1 ARG 755 HG3 0.00 -0.05 -0.37 -0.04 1.67 1.22 1zi0A1 ARG 755 HD2 0.00 -0.12 -0.21 -0.04 3.22 2.85 1zi0A1 ARG 755 HD3 -0.01 -0.01 -0.16 -0.04 3.22 3.01 1zi0A1 THR 756 H 0.09 0.42 0.22 -0.55 8.28 8.46 1zi0A1 THR 756 HA 0.06 0.20 0.75 -0.75 4.39 4.65 1zi0A1 THR 756 HB 0.30 -0.00 -0.04 -0.04 4.32 4.54 1zi0A1 THR 756 HG23 0.02 0.03 -0.17 -0.04 1.22 1.05 1zi0A1 ALA 757 H 0.06 0.20 0.09 -0.55 8.40 8.21 1zi0A1 ALA 757 HA 0.06 0.04 0.43 -0.75 4.34 4.11 1zi0A1 ALA 757 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 1zi0A1 VAL 758 H 0.06 0.25 0.17 -0.55 8.24 8.17 1zi0A1 VAL 758 HA 0.12 0.10 0.34 -0.75 4.13 3.94 1zi0A1 VAL 758 HB -0.01 0.14 0.11 -0.04 2.12 2.32 1zi0A1 VAL 758 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 1zi0A1 VAL 758 HG23 -0.03 -0.01 -0.06 -0.04 0.95 0.82 1zi0A1 ALA 759 H 0.07 -0.01 -0.44 -0.55 8.40 7.47 1zi0A1 ALA 759 HA 0.06 0.14 0.37 -0.75 4.34 4.15 1zi0A1 ALA 759 HB3 0.03 -0.01 0.01 -0.04 1.41 1.40 1zi0A1 GLU 760 H 0.12 0.59 -0.41 -0.55 8.60 8.35 1zi0A1 GLU 760 HA 0.01 0.08 0.54 -0.75 4.29 4.16 1zi0A1 GLU 760 HB2 0.03 0.20 0.05 -0.04 2.09 2.33 1zi0A1 GLU 760 HB3 -0.09 -0.05 0.10 -0.04 1.99 1.91 1zi0A1 GLU 760 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 1zi0A1 GLU 760 HG3 0.02 -0.08 -0.05 -0.04 2.34 2.19 1zi0A1 TYR 761 H 0.25 0.38 -0.50 -0.55 8.29 7.87 1zi0A1 TYR 761 HA 0.01 0.15 0.80 -0.75 4.56 4.76 1zi0A1 TYR 761 HB2 0.01 0.12 0.10 -0.04 3.06 3.25 1zi0A1 TYR 761 HB3 -0.01 -0.00 -0.09 -0.04 2.98 2.83 1zi0A1 TYR 761 HD2 0.01 0.01 -0.17 -0.04 7.15 6.96 1zi0A1 TYR 761 HE2 0.14 -0.02 -0.18 -0.04 6.85 6.75 1zi0A1 PRO 762 HA 0.03 0.03 0.37 -0.51 4.44 4.36 1zi0A1 PRO 762 HB2 0.01 -0.05 -0.06 -0.04 2.28 2.15 1zi0A1 PRO 762 HB3 0.01 0.01 0.03 -0.04 2.02 2.02 1zi0A1 PRO 762 HG2 -0.03 -0.02 0.06 -0.04 2.03 2.00 1zi0A1 PRO 762 HG3 -0.02 0.06 0.01 -0.04 2.03 2.04 1zi0A1 PRO 762 HD2 -0.02 0.03 0.15 -0.04 3.68 3.80 1zi0A1 PRO 762 HD3 -0.09 0.46 0.34 -0.04 3.65 4.32 1zi0A1 THR 763 H 0.03 0.12 0.15 -0.55 8.28 8.03 1zi0A1 THR 763 HA 0.03 0.19 0.87 -0.75 4.39 4.74 1zi0A1 THR 763 HB 0.02 -0.06 0.20 -0.04 4.32 4.44 1zi0A1 THR 763 HG23 0.04 0.01 -0.10 -0.04 1.22 1.12 1zi0A1 LYS 764 H 0.06 0.34 0.22 -0.55 8.42 8.49 1zi0A1 LYS 764 HA 0.03 0.19 0.93 -0.75 4.32 4.71 1zi0A1 SER 765 H 0.02 0.13 0.18 -0.55 8.46 8.24 1zi0A1 SER 765 HA -0.00 0.18 1.00 -0.75 4.49 4.91 1zi0A1 SER 765 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.90 1zi0A1 SER 765 HB3 -0.07 0.06 0.09 -0.04 3.93 3.98 1zi0A1 ARG 766 H -0.33 0.10 0.12 -0.55 8.46 7.81 1zi0A1 ARG 766 HA -0.34 0.15 0.50 -0.75 4.34 3.89 1zi0A1 ARG 766 HB2 -0.84 0.09 0.17 -0.04 1.90 1.28 1zi0A1 ARG 766 HB3 -1.78 -0.06 0.06 -0.04 1.80 -0.02 1zi0A1 ARG 766 HG2 -0.32 -0.09 0.03 -0.04 1.67 1.24 1zi0A1 ARG 766 HG3 -0.25 0.04 -0.29 -0.04 1.67 1.13 1zi0A1 ARG 766 HD2 -0.26 0.15 -0.01 -0.04 3.22 3.05 1zi0A1 ARG 766 HD3 -0.39 -0.04 -0.10 -0.04 3.22 2.66 1zi0A1 ALA 767 H -0.11 0.52 -0.12 -0.55 8.40 8.15 1zi0A1 ALA 767 HA -0.04 -0.07 -0.12 -0.75 4.34 3.35 1zi0A1 ALA 767 HB3 -0.07 0.07 -0.06 -0.04 1.41 1.32 1zi0A1 THR 768 H -0.02 0.18 -0.25 -0.55 8.28 7.64 1zi0A1 THR 768 HA -0.01 0.24 0.86 -0.75 4.39 4.72 1zi0A1 THR 768 HB -0.00 -0.10 0.17 -0.04 4.32 4.35 1zi0A1 THR 768 HG23 -0.02 0.05 -0.16 -0.04 1.22 1.05 1zi0A1 LYS 769 H 0.00 0.13 0.16 -0.55 8.42 8.16 1zi0A1 LYS 769 HA 0.01 0.30 0.63 -0.75 4.32 4.51 1zi0A1 GLY 770 H 0.01 -0.09 -0.14 -0.55 8.43 7.66 1zi0A1 GLY 770 HA2 0.01 -0.06 0.37 -0.51 4.01 3.82 1zi0A1 GLY 770 HA3 0.01 0.21 0.39 -0.51 4.01 4.11 1zi0A1 VAL 771 H 0.00 0.43 0.29 -0.55 8.24 8.41 1zi0A1 VAL 771 HA -0.00 0.20 0.95 -0.75 4.13 4.53 1zi0A1 VAL 771 HB -0.02 -0.12 0.20 -0.04 2.12 2.14 1zi0A1 VAL 771 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.83 1zi0A1 VAL 771 HG23 -0.02 0.05 -0.09 -0.04 0.95 0.85 1zi0A1 ILE 772 H -0.02 0.09 0.14 -0.55 8.25 7.91 1zi0A1 ILE 772 HA 0.02 0.23 0.77 -0.75 4.18 4.45 1zi0A1 ILE 772 HB -0.02 -0.06 0.05 -0.04 1.89 1.82 1zi0A1 ILE 772 HG12 0.01 0.10 -0.06 -0.04 1.49 1.50 1zi0A1 ILE 772 HG13 -0.00 -0.05 -0.06 -0.04 1.21 1.06 1zi0A1 ILE 772 HG23 0.00 0.02 -0.36 -0.04 0.93 0.56 1zi0A1 ILE 772 HD13 -0.00 -0.01 -0.05 -0.04 0.88 0.78 1zi0A1 SER 773 H 0.07 0.59 0.32 -0.55 8.46 8.90 1zi0A1 SER 773 HA 0.04 0.10 0.77 -0.75 4.49 4.65 1zi0A1 SER 773 HB2 0.31 -0.04 -0.24 -0.04 3.95 3.94 1zi0A1 SER 773 HB3 0.24 0.07 -0.11 -0.04 3.93 4.08 1zi0A1 ILE 774 H 0.06 0.20 0.18 -0.55 8.25 8.14 1zi0A1 ILE 774 HA 0.03 0.26 0.54 -0.75 4.18 4.26 1zi0A1 ILE 774 HB 0.07 0.11 -0.19 -0.04 1.89 1.84 1zi0A1 ILE 774 HG12 0.02 0.10 -0.25 -0.04 1.49 1.32 1zi0A1 ILE 774 HG13 0.03 0.08 -0.03 -0.04 1.21 1.25 1zi0A1 ILE 774 HG23 0.06 -0.04 -0.21 -0.04 0.93 0.70 1zi0A1 ILE 774 HD13 0.05 -0.02 -0.32 -0.04 0.88 0.54 1zi0A1 LYS 775 H 0.01 0.38 0.19 -0.55 8.42 8.44 1zi0A1 LYS 775 HA 0.00 0.06 0.60 -0.75 4.32 4.23 1zi0A1 VAL 776 H -0.00 0.22 0.21 -0.55 8.24 8.12 1zi0A1 VAL 776 HA -0.04 0.14 0.92 -0.75 4.13 4.39 1zi0A1 VAL 776 HB -0.02 0.17 -0.05 -0.04 2.12 2.18 1zi0A1 VAL 776 HG13 0.01 0.04 -0.20 -0.04 0.97 0.78 1zi0A1 VAL 776 HG23 -0.00 -0.02 -0.09 -0.04 0.95 0.80 1zi0A1 THR 777 H -0.07 0.06 0.15 -0.55 8.28 7.86 1zi0A1 THR 777 HA -0.03 0.29 0.74 -0.75 4.39 4.64 1zi0A1 THR 777 HB -0.04 -0.09 0.22 -0.04 4.32 4.37 1zi0A1 THR 777 HG23 -0.03 0.05 -0.24 -0.04 1.22 0.96 1zi0A1 GLU 778 H -0.03 0.20 0.15 -0.55 8.60 8.37 1zi0A1 GLU 778 HA -0.02 0.13 0.44 -0.75 4.29 4.09 1zi0A1 GLU 778 HB2 -0.02 0.01 0.12 -0.04 2.09 2.17 1zi0A1 GLU 778 HB3 -0.02 -0.00 0.05 -0.04 1.99 1.98 1zi0A1 ARG 779 H -0.07 -0.05 -0.23 -0.55 8.46 7.55 1zi0A1 ARG 779 HA -0.06 0.15 0.45 -0.75 4.34 4.13 1zi0A1 ARG 779 HB2 -0.07 -0.01 0.06 -0.04 1.90 1.84 1zi0A1 ARG 779 HB3 -0.16 -0.08 0.09 -0.04 1.80 1.61 1zi0A1 ARG 779 HG2 -0.31 0.06 -0.28 -0.04 1.67 1.09 1zi0A1 ARG 779 HG3 -0.03 0.01 -0.01 -0.04 1.67 1.60 1zi0A1 ARG 779 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.13 1zi0A1 ARG 779 HD3 -0.10 0.00 -0.04 -0.04 3.22 3.05 1zi0A1 ASN 780 H -0.25 -0.02 -0.03 -0.55 8.53 7.68 1zi0A1 ASN 780 HA -0.47 0.17 0.68 -0.75 4.76 4.39 1zi0A1 ASN 780 HB2 -0.26 -0.02 0.01 -0.04 2.88 2.57 1zi0A1 ASN 780 HB3 -1.02 0.04 0.02 -0.04 2.79 1.78 1zi0A1 ASN 780 HD21 -0.08 0.47 0.23 -0.04 7.03 7.61 1zi0A1 ASN 780 HD22 -0.13 0.19 0.07 -0.04 7.74 7.83 1zi0A1 GLY 781 H -0.09 0.20 -0.14 -0.55 8.43 7.86 1zi0A1 GLY 781 HA2 -0.02 0.09 0.30 -0.51 4.01 3.87 1zi0A1 GLY 781 HA3 -0.01 0.05 0.56 -0.51 4.01 4.10 1zi0A1 LEU 782 H 0.01 0.08 0.16 -0.55 8.37 8.07 1zi0A1 LEU 782 HA 0.01 0.15 0.50 -0.75 4.35 4.25 1zi0A1 LEU 782 HB2 0.02 -0.03 0.08 -0.04 1.64 1.66 1zi0A1 LEU 782 HB3 0.02 0.12 0.10 -0.04 1.64 1.84 1zi0A1 LEU 782 HG 0.01 -0.09 0.06 -0.04 1.64 1.58 1zi0A1 LEU 782 HD13 0.02 0.01 0.00 -0.04 0.93 0.92 1zi0A1 LEU 782 HD23 0.01 -0.01 -0.10 -0.04 0.89 0.75 1zi0A1 VAL 783 H 0.03 0.59 0.35 -0.55 8.24 8.66 1zi0A1 VAL 783 HA 0.03 0.08 0.52 -0.75 4.13 4.00 1zi0A1 VAL 783 HB 0.05 -0.02 0.19 -0.04 2.12 2.30 1zi0A1 VAL 783 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.70 1zi0A1 VAL 783 HG23 0.05 0.00 -0.05 -0.04 0.95 0.92 1zi0A1 VAL 784 H 0.02 0.73 0.46 -0.55 8.24 8.90 1zi0A1 VAL 784 HA 0.02 0.11 0.63 -0.75 4.13 4.14 1zi0A1 VAL 784 HB 0.01 -0.00 -0.10 -0.04 2.12 2.00 1zi0A1 VAL 784 HG13 0.02 -0.03 -0.31 -0.04 0.97 0.61 1zi0A1 VAL 784 HG23 0.02 -0.02 -0.21 -0.04 0.95 0.71 1zi0A1 GLY 785 H -0.01 0.25 0.18 -0.55 8.43 8.30 1zi0A1 GLY 785 HA2 -0.03 0.09 0.25 -0.51 4.01 3.81 1zi0A1 GLY 785 HA3 -0.03 0.11 0.30 -0.51 4.01 3.88 1zi0A1 ALA 786 H -0.16 0.33 0.13 -0.55 8.40 8.16 1zi0A1 ALA 786 HA -0.26 0.32 0.81 -0.75 4.34 4.45 1zi0A1 ALA 786 HB3 -0.95 -0.01 -0.16 -0.04 1.41 0.25 1zi0A1 VAL 787 H -0.21 0.58 0.25 -0.55 8.24 8.31 1zi0A1 VAL 787 HA -0.14 0.11 0.68 -0.75 4.13 4.03 1zi0A1 VAL 787 HB -0.08 0.10 -0.19 -0.04 2.12 1.91 1zi0A1 VAL 787 HG13 -0.07 -0.01 -0.18 -0.04 0.97 0.67 1zi0A1 VAL 787 HG23 -0.05 0.03 -0.01 -0.04 0.95 0.88 1zi0A1 GLN 788 H -0.07 0.16 0.15 -0.55 8.47 8.16 1zi0A1 GLN 788 HA -0.07 0.26 0.79 -0.75 4.36 4.59 1zi0A1 GLN 788 HB2 -0.06 -0.02 -0.03 -0.04 2.15 2.00 1zi0A1 GLN 788 HB3 -0.05 -0.02 0.09 -0.04 2.02 2.00 1zi0A1 GLN 788 HG2 -0.03 -0.05 -0.27 -0.04 2.40 2.01 1zi0A1 GLN 788 HG3 -0.04 0.17 -0.26 -0.04 2.39 2.22 1zi0A1 GLN 788 HE21 -0.03 -0.02 -0.26 -0.04 6.97 6.62 1zi0A1 GLN 788 HE22 -0.02 0.44 -0.13 -0.04 7.69 7.94 1zi0A1 VAL 789 H -0.03 0.60 0.24 -0.55 8.24 8.50 1zi0A1 VAL 789 HA -0.02 0.15 0.80 -0.75 4.13 4.31 1zi0A1 VAL 789 HB -0.02 -0.05 0.03 -0.04 2.12 2.04 1zi0A1 VAL 789 HG13 -0.03 0.01 -0.37 -0.04 0.97 0.53 1zi0A1 VAL 789 HG23 -0.02 0.01 -0.22 -0.04 0.95 0.68 1zi0A1 ASP 790 H -0.01 0.16 0.19 -0.55 8.40 8.19 1zi0A1 ASP 790 HA -0.01 0.17 0.94 -0.75 4.63 4.98 1zi0A1 ASP 790 HB2 -0.01 -0.01 0.12 -0.04 2.71 2.76 1zi0A1 ASP 790 HB3 -0.01 -0.03 0.13 -0.04 2.70 2.75 1zi0A1 ASP 791 H -0.01 0.17 0.15 -0.55 8.40 8.17 1zi0A1 ASP 791 HA -0.01 0.11 0.25 -0.75 4.63 4.22 1zi0A1 ASP 791 HB2 -0.00 -0.05 0.13 -0.04 2.71 2.74 1zi0A1 ASP 791 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.70 1zi0A1 CYS 792 H -0.01 -0.04 -0.35 -0.55 8.50 7.55 1zi0A1 CYS 792 HA -0.01 0.14 0.56 -0.75 4.58 4.52 1zi0A1 CYS 792 HB2 -0.01 0.05 -0.02 -0.04 2.97 2.95 1zi0A1 CYS 792 HB3 -0.01 0.02 0.06 -0.04 2.97 3.01 1zi0A1 ASP 793 H -0.01 0.27 -0.18 -0.55 8.40 7.94 1zi0A1 ASP 793 HA -0.01 0.08 0.44 -0.75 4.63 4.38 1zi0A1 ASP 793 HB2 -0.01 0.14 0.15 -0.04 2.71 2.95 1zi0A1 ASP 793 HB3 -0.01 0.08 0.15 -0.04 2.70 2.87 1zi0A1 GLN 794 H -0.02 0.21 0.29 -0.55 8.47 8.41 1zi0A1 GLN 794 HA -0.02 0.15 1.02 -0.75 4.36 4.75 1zi0A1 GLN 794 HB2 -0.02 -0.06 0.08 -0.04 2.15 2.10 1zi0A1 GLN 794 HB3 -0.03 0.05 0.11 -0.04 2.02 2.11 1zi0A1 GLN 794 HG2 -0.02 0.05 -0.07 -0.04 2.40 2.32 1zi0A1 GLN 794 HG3 -0.02 -0.01 -0.19 -0.04 2.39 2.14 1zi0A1 GLN 794 HE21 -0.02 -0.01 -0.04 -0.04 6.97 6.86 1zi0A1 GLN 794 HE22 -0.02 0.03 -0.04 -0.04 7.69 7.63 1zi0A1 ILE 795 H -0.03 0.64 0.38 -0.55 8.25 8.69 1zi0A1 ILE 795 HA -0.03 0.23 1.03 -0.75 4.18 4.66 1zi0A1 ILE 795 HB -0.03 -0.02 -0.05 -0.04 1.89 1.75 1zi0A1 ILE 795 HG12 -0.02 -0.09 -0.37 -0.04 1.49 0.97 1zi0A1 ILE 795 HG13 -0.03 0.02 -0.21 -0.04 1.21 0.95 1zi0A1 ILE 795 HG23 -0.03 -0.00 -0.28 -0.04 0.93 0.58 1zi0A1 ILE 795 HD13 -0.03 0.03 -0.17 -0.04 0.88 0.68 1zi0A1 MET 796 H -0.03 0.38 0.27 -0.55 8.47 8.54 1zi0A1 MET 796 HA -0.07 0.33 1.03 -0.75 4.52 5.05 1zi0A1 MET 796 HB2 -0.10 -0.06 -0.15 -0.04 2.15 1.80 1zi0A1 MET 796 HB3 -0.06 0.03 0.02 -0.04 2.03 1.98 1zi0A1 MET 796 HG2 -0.14 0.06 -0.10 -0.04 2.63 2.41 1zi0A1 MET 796 HG3 -0.25 -0.04 -0.11 -0.04 2.56 2.11 1zi0A1 MET 796 HE3 -0.02 -0.00 -0.47 -0.04 2.10 1.56 1zi0A1 MET 797 H -0.06 0.51 0.29 -0.55 8.47 8.66 1zi0A1 MET 797 HA -0.01 0.42 1.07 -0.75 4.52 5.24 1zi0A1 MET 797 HB2 -0.03 -0.03 0.06 -0.04 2.15 2.11 1zi0A1 MET 797 HB3 -0.01 0.01 0.01 -0.04 2.03 2.00 1zi0A1 MET 797 HG2 -0.01 0.07 -0.08 -0.04 2.63 2.56 1zi0A1 MET 797 HG3 -0.02 -0.11 -0.44 -0.04 2.56 1.95 1zi0A1 MET 797 HE3 -0.03 -0.01 -0.23 -0.04 2.10 1.80 1zi0A1 ILE 798 H 0.01 0.47 0.31 -0.55 8.25 8.50 1zi0A1 ILE 798 HA -0.01 0.33 1.08 -0.75 4.18 4.82 1zi0A1 THR 799 H 0.02 0.41 0.19 -0.55 8.28 8.35 1zi0A1 THR 799 HA 0.03 0.24 1.06 -0.75 4.39 4.96 1zi0A1 THR 799 HB 0.02 0.05 0.07 -0.04 4.32 4.41 1zi0A1 THR 799 HG23 0.01 0.07 -0.15 -0.04 1.22 1.11 1zi0A1 ASP 800 H 0.03 0.51 0.32 -0.55 8.40 8.71 1zi0A1 ASP 800 HA 0.04 0.13 0.44 -0.75 4.63 4.48 1zi0A1 ASP 800 HB2 0.03 0.03 0.13 -0.04 2.71 2.85 1zi0A1 ASP 800 HB3 0.03 0.04 0.12 -0.04 2.70 2.84 1zi0A1 ALA 801 H 0.02 -0.06 -0.31 -0.55 8.40 7.51 1zi0A1 ALA 801 HA 0.02 0.16 0.62 -0.75 4.34 4.38 1zi0A1 ALA 801 HB3 0.02 -0.01 0.08 -0.04 1.41 1.45 1zi0A1 GLY 802 H 0.03 -0.01 -0.11 -0.55 8.43 7.79 1zi0A1 GLY 802 HA2 0.05 0.09 0.23 -0.51 4.01 3.87 1zi0A1 GLY 802 HA3 0.03 0.20 0.80 -0.51 4.01 4.53 1zi0A1 THR 803 H 0.01 -0.02 0.02 -0.55 8.28 7.75 1zi0A1 THR 803 HA -0.00 0.07 0.42 -0.75 4.39 4.12 1zi0A1 THR 803 HB -0.01 0.06 -0.01 -0.04 4.32 4.31 1zi0A1 THR 803 HG23 0.00 0.01 0.01 -0.04 1.22 1.20 1zi0A1 LEU 804 H -0.03 0.17 0.25 -0.55 8.37 8.21 1zi0A1 LEU 804 HA -0.06 0.32 1.09 -0.75 4.35 4.95 1zi0A1 LEU 804 HB2 -0.07 0.10 -0.01 -0.04 1.64 1.62 1zi0A1 LEU 804 HB3 -0.11 -0.06 0.06 -0.04 1.64 1.50 1zi0A1 LEU 804 HG -0.21 -0.03 -0.09 -0.04 1.64 1.27 1zi0A1 LEU 804 HD13 -0.10 0.04 -0.07 -0.04 0.93 0.76 1zi0A1 LEU 804 HD23 -0.47 -0.01 -0.08 -0.04 0.89 0.28 1zi0A1 VAL 805 H -0.07 0.51 0.29 -0.55 8.24 8.41 1zi0A1 VAL 805 HA -0.06 0.15 1.02 -0.75 4.13 4.49 1zi0A1 VAL 805 HB -0.04 -0.03 0.03 -0.04 2.12 2.04 1zi0A1 VAL 805 HG13 -0.04 0.02 -0.09 -0.04 0.97 0.82 1zi0A1 VAL 805 HG23 -0.03 -0.01 -0.27 -0.04 0.95 0.59 1zi0A1 ARG 806 H -0.07 0.15 0.21 -0.55 8.46 8.20 1zi0A1 ARG 806 HA -0.07 0.45 1.09 -0.75 4.34 5.06 1zi0A1 ARG 806 HB2 -0.07 -0.04 0.10 -0.04 1.90 1.85 1zi0A1 ARG 806 HB3 -0.06 -0.00 0.07 -0.04 1.80 1.77 1zi0A1 ARG 806 HG2 -0.13 0.05 -0.09 -0.04 1.67 1.46 1zi0A1 ARG 806 HG3 -0.12 -0.03 -0.08 -0.04 1.67 1.39 1zi0A1 ARG 806 HD2 -0.09 -0.01 -0.03 -0.04 3.22 3.05 1zi0A1 ARG 806 HD3 -0.09 -0.00 -0.04 -0.04 3.22 3.05 1zi0A1 THR 807 H -0.04 0.44 0.37 -0.55 8.28 8.51 1zi0A1 THR 807 HA -0.03 0.17 0.81 -0.75 4.39 4.58 1zi0A1 THR 807 HB -0.03 -0.07 -0.16 -0.04 4.32 4.02 1zi0A1 THR 807 HG23 -0.03 0.02 -0.09 -0.04 1.22 1.09 1zi0A1 ARG 808 H -0.02 0.21 0.13 -0.55 8.46 8.22 1zi0A1 ARG 808 HA -0.02 0.23 0.93 -0.75 4.34 4.72 1zi0A1 ARG 808 HB2 -0.02 -0.03 0.20 -0.04 1.90 2.01 1zi0A1 ARG 808 HB3 -0.02 0.04 0.08 -0.04 1.80 1.87 1zi0A1 ARG 808 HG2 -0.02 0.09 -0.02 -0.04 1.67 1.68 1zi0A1 ARG 808 HG3 -0.02 -0.05 -0.01 -0.04 1.67 1.55 1zi0A1 ARG 808 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.18 1zi0A1 ARG 808 HD3 -0.01 0.02 0.02 -0.04 3.22 3.20 1zi0A1 VAL 809 H -0.02 0.40 0.12 -0.55 8.24 8.20 1zi0A1 VAL 809 HA -0.02 0.03 0.15 -0.75 4.13 3.54 1zi0A1 VAL 809 HB -0.01 0.21 -0.07 -0.04 2.12 2.21 1zi0A1 VAL 809 HG13 -0.01 -0.02 -0.35 -0.04 0.97 0.55 1zi0A1 VAL 809 HG23 -0.02 -0.02 -0.25 -0.04 0.95 0.61 1zi0A1 SER 810 H -0.01 0.12 -0.47 -0.55 8.46 7.55 1zi0A1 SER 810 HA -0.01 0.05 0.45 -0.75 4.49 4.24 1zi0A1 SER 810 HB2 -0.01 -0.05 0.08 -0.04 3.95 3.93 1zi0A1 SER 810 HB3 -0.01 0.12 0.11 -0.04 3.93 4.11 1zi0A1 GLU 811 H -0.01 0.76 -0.21 -0.55 8.60 8.59 1zi0A1 GLU 811 HA -0.01 0.11 0.70 -0.75 4.29 4.33 1zi0A1 GLU 811 HB2 -0.02 0.04 0.17 -0.04 2.09 2.24 1zi0A1 GLU 811 HB3 -0.01 -0.03 0.19 -0.04 1.99 2.10 1zi0A1 GLU 811 HG2 -0.01 0.02 -0.06 -0.04 2.34 2.25 1zi0A1 GLU 811 HG3 -0.01 -0.06 -0.01 -0.04 2.34 2.22 1zi0A1 ILE 812 H -0.01 0.35 -0.69 -0.55 8.25 7.36 1zi0A1 ILE 812 HA -0.01 0.07 0.66 -0.75 4.18 4.15 1zi0A1 ILE 812 HB -0.01 0.16 -0.02 -0.04 1.89 1.98 1zi0A1 ILE 812 HG12 -0.02 0.07 -0.11 -0.04 1.49 1.39 1zi0A1 ILE 812 HG13 -0.02 -0.02 -0.74 -0.04 1.21 0.40 1zi0A1 ILE 812 HG23 -0.00 0.00 -0.24 -0.04 0.93 0.66 1zi0A1 ILE 812 HD13 -0.02 -0.03 -0.27 -0.04 0.88 0.52 1zi0A1 SER 813 H -0.00 0.12 0.04 -0.55 8.46 8.07 1zi0A1 SER 813 HA 0.00 0.06 0.40 -0.75 4.49 4.20 1zi0A1 SER 813 HB2 0.01 0.03 -0.08 -0.04 3.95 3.86 1zi0A1 SER 813 HB3 0.00 0.03 0.06 -0.04 3.93 3.98 1zi0A1 ILE 814 H 0.01 0.13 0.15 -0.55 8.25 7.99 1zi0A1 ILE 814 HA 0.02 0.21 0.71 -0.75 4.18 4.37 1zi0A1 ILE 814 HB 0.01 -0.03 0.20 -0.04 1.89 2.03 1zi0A1 ILE 814 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 1zi0A1 VAL 815 H 0.02 0.61 0.29 -0.55 8.24 8.62 1zi0A1 VAL 815 HA 0.01 0.17 0.97 -0.75 4.13 4.52 1zi0A1 VAL 815 HB 0.01 -0.17 0.16 -0.04 2.12 2.07 1zi0A1 VAL 815 HG13 0.01 -0.01 -0.25 -0.04 0.97 0.69 1zi0A1 VAL 815 HG23 0.02 0.09 -0.06 -0.04 0.95 0.96 1zi0A1 GLY 816 H 0.00 0.06 0.10 -0.55 8.43 8.05 1zi0A1 GLY 816 HA2 -0.02 0.13 0.59 -0.51 4.01 4.20 1zi0A1 GLY 816 HA3 -0.02 -0.01 0.31 -0.51 4.01 3.78 1zi0A1 ARG 817 H -0.08 0.14 0.12 -0.55 8.46 8.09 1zi0A1 ARG 817 HA -0.04 0.25 0.34 -0.75 4.34 4.13 1zi0A1 ARG 817 HB2 -0.12 -0.09 0.06 -0.04 1.90 1.71 1zi0A1 ARG 817 HB3 -0.12 0.17 -0.03 -0.04 1.80 1.77 1zi0A1 ARG 817 HG2 -0.38 0.03 -0.01 -0.04 1.67 1.27 1zi0A1 ARG 817 HG3 -0.26 -0.10 0.06 -0.04 1.67 1.33 1zi0A1 ARG 817 HD2 -0.45 0.20 0.09 -0.04 3.22 3.03 1zi0A1 ARG 817 HD3 -1.31 -0.05 -0.10 -0.04 3.22 1.73 1zi0A1 ASN 818 H -0.03 0.00 -0.33 -0.55 8.53 7.62 1zi0A1 ASN 818 HA -0.01 0.19 0.76 -0.75 4.76 4.95 1zi0A1 ASN 818 HB2 -0.02 -0.01 -0.00 -0.04 2.88 2.81 1zi0A1 ASN 818 HB3 -0.01 -0.03 0.16 -0.04 2.79 2.87 1zi0A1 ASN 818 HD21 -0.01 -0.00 -0.02 -0.04 7.03 6.96 1zi0A1 ASN 818 HD22 -0.01 -0.02 0.04 -0.04 7.74 7.71 1zi0A1 THR 819 H 0.01 0.52 -0.11 -0.55 8.28 8.15 1zi0A1 THR 819 HA 0.01 0.12 0.64 -0.75 4.39 4.41 1zi0A1 THR 819 HB 0.02 -0.15 0.11 -0.04 4.32 4.26 1zi0A1 THR 819 HG23 0.01 -0.03 -0.25 -0.04 1.22 0.91 1zi0A1 GLN 820 H 0.03 0.13 0.15 -0.55 8.47 8.23 1zi0A1 GLN 820 HA 0.01 0.32 0.98 -0.75 4.36 4.92 1zi0A1 GLN 820 HB2 -0.08 -0.02 0.13 -0.04 2.15 2.14 1zi0A1 GLN 820 HB3 -0.02 -0.04 -0.04 -0.04 2.02 1.87 1zi0A1 GLN 820 HG2 0.04 -0.05 0.02 -0.04 2.40 2.37 1zi0A1 GLN 820 HG3 0.07 0.16 -0.27 -0.04 2.39 2.31 1zi0A1 GLN 820 HE21 -0.06 -0.06 -0.03 -0.04 6.97 6.77 1zi0A1 GLN 820 HE22 -0.07 0.06 -0.04 -0.04 7.69 7.60 1zi0A1 GLY 821 H 0.06 -0.07 -0.02 -0.55 8.43 7.84 1zi0A1 GLY 821 HA2 0.07 0.05 0.26 -0.51 4.01 3.88 1zi0A1 GLY 821 HA3 0.13 0.12 0.35 -0.51 4.01 4.09 1zi0A1 VAL 822 H 0.05 0.48 0.31 -0.55 8.24 8.53 1zi0A1 VAL 822 HA 0.03 0.12 0.81 -0.75 4.13 4.34 1zi0A1 VAL 822 HB -0.05 0.03 0.07 -0.04 2.12 2.13 1zi0A1 VAL 822 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.78 1zi0A1 VAL 822 HG23 -0.03 0.03 -0.03 -0.04 0.95 0.88 1zi0A1 ILE 823 H -0.48 0.08 0.10 -0.55 8.25 7.41 1zi0A1 ILE 823 HA -0.66 0.10 0.30 -0.75 4.18 3.17 1zi0A1 ILE 823 HB -0.75 -0.00 0.06 -0.04 1.89 1.16 1zi0A1 ILE 823 HG12 -0.17 -0.08 -0.37 -0.04 1.49 0.83 1zi0A1 ILE 823 HG13 -0.27 0.14 0.02 -0.04 1.21 1.06 1zi0A1 ILE 823 HG23 -0.18 -0.01 0.00 -0.04 0.93 0.70 1zi0A1 ILE 823 HD13 -0.10 -0.03 -0.05 -0.04 0.88 0.66 1zi0A1 LEU 824 H -0.15 0.69 0.41 -0.55 8.37 8.77 1zi0A1 LEU 824 HA -0.08 0.15 0.87 -0.75 4.35 4.53 1zi0A1 LEU 824 HB2 -0.05 0.07 0.00 -0.04 1.64 1.63 1zi0A1 LEU 824 HB3 -0.04 -0.05 0.03 -0.04 1.64 1.53 1zi0A1 LEU 824 HG -0.05 0.15 -0.03 -0.04 1.64 1.67 1zi0A1 LEU 824 HD13 -0.02 -0.02 -0.17 -0.04 0.93 0.68 1zi0A1 LEU 824 HD23 -0.04 0.00 -0.04 -0.04 0.89 0.77 1zi0A1 ILE 825 H -0.10 0.20 0.14 -0.55 8.25 7.95 1zi0A1 ILE 825 HA -0.05 0.09 0.57 -0.75 4.18 4.04 1zi0A1 ILE 825 HB -0.03 0.10 -0.18 -0.04 1.89 1.74 1zi0A1 ILE 825 HG12 -0.02 0.06 -0.55 -0.04 1.49 0.94 1zi0A1 ILE 825 HG13 -0.03 -0.02 -0.08 -0.04 1.21 1.04 1zi0A1 ILE 825 HG23 -0.02 0.00 -0.06 -0.04 0.93 0.82 1zi0A1 ILE 825 HD13 -0.02 -0.01 -0.21 -0.04 0.88 0.60 1zi0A1 ARG 826 H -0.03 0.15 0.01 -0.55 8.46 8.04 1zi0A1 ARG 826 HA -0.03 -0.02 0.37 -0.75 4.34 3.91 1zi0A1 THR 827 H -0.00 0.19 0.29 -0.55 8.28 8.20 1zi0A1 THR 827 HA 0.01 0.04 0.24 -0.75 4.39 3.93 1zi0A1 THR 827 HB 0.05 0.22 0.04 -0.04 4.32 4.60 1zi0A1 THR 827 HG23 0.05 -0.11 0.14 -0.04 1.22 1.25 1zi0A1 ALA 828 H 0.02 -0.03 -0.08 -0.55 8.40 7.75 1zi0A1 ALA 828 HA 0.01 -0.11 0.35 -0.75 4.34 3.84 1zi0A1 ALA 828 HB3 0.01 0.09 0.11 -0.04 1.41 1.57 1zi0A1 GLU 829 H 0.02 0.03 0.11 -0.55 8.60 8.20 1zi0A1 GLU 829 HA 0.02 -0.01 0.35 -0.75 4.29 3.89 1zi0A1 ASP 830 H 0.02 0.08 0.15 -0.55 8.40 8.10 1zi0A1 ASP 830 HA 0.01 -0.03 0.32 -0.75 4.63 4.18 1zi0A1 GLU 831 H 0.02 0.20 -0.16 -0.55 8.60 8.11 1zi0A1 GLU 831 HA 0.02 0.04 0.88 -0.75 4.29 4.47 1zi0A1 GLU 831 HB2 0.01 0.02 -0.13 -0.04 2.09 1.95 1zi0A1 GLU 831 HB3 0.02 0.38 0.13 -0.04 1.99 2.47 1zi0A1 GLU 831 HG2 0.02 -0.10 -0.05 -0.04 2.34 2.17 1zi0A1 GLU 831 HG3 0.02 -0.10 0.08 -0.04 2.34 2.30 1zi0A1 ASN 832 H 0.02 0.08 0.18 -0.55 8.53 8.26 1zi0A1 ASN 832 HA 0.03 0.38 1.13 -0.75 4.76 5.54 1zi0A1 ASN 832 HB2 0.02 -0.05 0.03 -0.04 2.88 2.85 1zi0A1 ASN 832 HB3 0.02 0.13 0.04 -0.04 2.79 2.94 1zi0A1 ASN 832 HD21 0.02 -0.03 -0.12 -0.04 7.03 6.86 1zi0A1 ASN 832 HD22 0.02 0.02 -0.08 -0.04 7.74 7.66 1zi0A1 VAL 833 H 0.03 0.45 0.35 -0.55 8.24 8.52 1zi0A1 VAL 833 HA 0.02 0.07 0.59 -0.75 4.13 4.06 1zi0A1 VAL 833 HB 0.03 -0.02 0.06 -0.04 2.12 2.15 1zi0A1 VAL 833 HG13 0.02 -0.03 -0.11 -0.04 0.97 0.81 1zi0A1 VAL 833 HG23 0.02 0.05 -0.01 -0.04 0.95 0.97 1zi0A1 VAL 834 H 0.03 0.75 0.47 -0.55 8.24 8.94 1zi0A1 VAL 834 HA 0.03 0.20 0.95 -0.75 4.13 4.56 1zi0A1 VAL 834 HB 0.04 0.00 0.11 -0.04 2.12 2.23 1zi0A1 VAL 834 HG13 0.03 0.01 -0.23 -0.04 0.97 0.74 1zi0A1 VAL 834 HG23 0.05 0.00 -0.27 -0.04 0.95 0.69 1zi0A1 GLY 835 H 0.04 0.21 0.25 -0.55 8.43 8.38 1zi0A1 GLY 835 HA2 0.05 0.20 0.75 -0.51 4.01 4.51 1zi0A1 GLY 835 HA3 0.08 0.02 0.28 -0.51 4.01 3.88 1zi0A1 LEU 836 H 0.03 0.33 0.12 -0.55 8.37 8.30 1zi0A1 LEU 836 HA 0.00 0.39 0.90 -0.75 4.35 4.88 1zi0A1 LEU 836 HB2 -0.00 0.02 -0.15 -0.04 1.64 1.47 1zi0A1 LEU 836 HB3 -0.00 -0.02 -0.11 -0.04 1.64 1.47 1zi0A1 LEU 836 HG -0.03 -0.01 -0.40 -0.04 1.64 1.16 1zi0A1 LEU 836 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.71 1zi0A1 LEU 836 HD23 -0.04 -0.02 -0.27 -0.04 0.89 0.51 1zi0A1 GLN 837 H -0.00 0.45 0.28 -0.55 8.47 8.66 1zi0A1 GLN 837 HA 0.00 0.06 0.47 -0.75 4.36 4.14 1zi0A1 GLN 837 HB2 0.04 0.00 0.16 -0.04 2.15 2.31 1zi0A1 GLN 837 HB3 0.05 0.13 -0.16 -0.04 2.02 1.99 1zi0A1 GLN 837 HG2 0.07 -0.08 -0.18 -0.04 2.40 2.16 1zi0A1 GLN 837 HG3 0.06 0.09 -0.37 -0.04 2.39 2.13 1zi0A1 GLN 837 HE21 0.15 -0.07 0.03 -0.04 6.97 7.04 1zi0A1 GLN 837 HE22 0.12 0.17 0.01 -0.04 7.69 7.95 1zi0A1 ARG 838 H 0.00 0.13 0.18 -0.55 8.46 8.22 1zi0A1 ARG 838 HA -0.01 0.15 0.69 -0.75 4.34 4.42 1zi0A1 ARG 838 HB2 0.00 -0.01 0.17 -0.04 1.90 2.02 1zi0A1 ARG 838 HB3 -0.00 0.04 0.10 -0.04 1.80 1.89 1zi0A1 ARG 838 HG2 -0.02 0.01 0.05 -0.04 1.67 1.67 1zi0A1 ARG 838 HG3 -0.02 -0.00 0.09 -0.04 1.67 1.70 1zi0A1 ARG 838 HD2 -0.01 -0.08 0.12 -0.04 3.22 3.20 1zi0A1 ARG 838 HD3 -0.02 0.11 0.14 -0.04 3.22 3.41 1zi0A1 VAL 839 H -0.01 0.26 0.20 -0.55 8.24 8.14 1zi0A1 VAL 839 HA 0.01 0.09 0.40 -0.75 4.13 3.87 1zi0A1 VAL 839 HB -0.02 0.06 -0.03 -0.04 2.12 2.09 1zi0A1 VAL 839 HG13 -0.05 0.01 -0.17 -0.04 0.97 0.71 1zi0A1 VAL 839 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 1zi0A1 ALA 840 H 0.06 0.19 0.14 -0.55 8.40 8.26 1zi0A1 ALA 840 HA 0.04 -0.00 0.40 -0.75 4.34 4.02 1zi0A1 ALA 840 HB3 0.07 0.03 -0.15 -0.04 1.41 1.32 1zi0A1 GLU 841 H 0.02 0.11 0.15 -0.55 8.60 8.33 1zi0A1 GLU 841 HA 0.01 0.21 0.58 -0.75 4.29 4.33