============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 13 0.840 12.839 18.894 13.464 -99.200 -91.000 TRP 15 1.040 21.015 20.890 20.453 -99.200 -91.000 TRP6 15 1.020 20.666 18.578 20.717 -99.200 -91.000 TRP 20 1.040 23.995 13.786 11.640 -99.200 -91.000 TRP6 20 1.020 22.175 12.604 12.544 -99.200 -91.000 TRP 27 1.040 19.118 6.980 16.030 -99.200 -91.000 TRP6 27 1.020 19.700 5.242 14.584 -99.200 -91.000 TYR 35 0.840 15.582 7.276 21.669 -99.200 -91.000 PHE 40 1.000 15.959 15.484 21.385 -99.200 -91.000 PHE 43 1.000 9.331 18.140 18.059 -99.200 -91.000 TYR 55 0.840 2.167 11.467 17.590 -99.200 -91.000 PHE 58 1.000 5.039 4.816 14.021 -99.200 -91.000 PHE 63 1.000 14.519 7.288 15.628 -99.200 -91.000 PHE 73 1.000 22.459 6.424 9.838 -99.200 -91.000 PHE 84 1.000 7.069 14.083 16.411 -99.200 -91.000 PHE 96 1.000 0.640 6.779 15.666 -99.200 -91.000 PHE 119 1.000 12.477 17.049 8.528 -99.200 -91.000 TYR 121 0.840 17.554 16.717 3.173 -99.200 -91.000 PHE 149 1.000 3.557 -4.301 8.080 -99.200 -91.000 TYR 159 0.840 4.452 -9.454 -4.110 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vy6A1 GLU 538 HA 0.02 -0.07 0.17 -0.75 4.29 3.65 2vy6A1 ILE 539 H 0.01 0.15 -0.04 -0.55 8.25 7.82 2vy6A1 ILE 539 HA 0.01 0.25 0.90 -0.75 4.18 4.59 2vy6A1 ILE 539 HB 0.00 -0.02 0.18 -0.04 1.89 2.02 2vy6A1 ILE 539 HG12 0.00 0.00 -0.15 -0.04 1.49 1.31 2vy6A1 ILE 539 HG13 -0.00 -0.01 -0.04 -0.04 1.21 1.12 2vy6A1 ILE 539 HG23 -0.00 -0.02 -0.02 -0.04 0.93 0.85 2vy6A1 ILE 539 HD13 0.00 0.09 -0.23 -0.04 0.88 0.70 2vy6A1 ASN 540 H 0.01 0.31 -0.47 -0.55 8.53 7.83 2vy6A1 ASN 540 HA 0.01 0.14 0.76 -0.75 4.76 4.92 2vy6A1 ASN 540 HB2 0.01 0.00 0.18 -0.04 2.88 3.03 2vy6A1 ASN 540 HB3 0.01 0.02 0.10 -0.04 2.79 2.87 2vy6A1 ASN 540 HD21 0.01 0.03 -0.06 -0.04 7.03 6.97 2vy6A1 ASN 540 HD22 0.01 0.04 -0.04 -0.04 7.74 7.72 2vy6A1 GLY 541 H 0.00 0.22 -0.19 -0.55 8.43 7.91 2vy6A1 GLY 541 HA2 -0.00 0.10 0.31 -0.51 4.01 3.90 2vy6A1 GLY 541 HA3 0.00 0.08 0.16 -0.51 4.01 3.74 2vy6A1 PRO 542 HA -0.02 0.11 0.37 -0.51 4.44 4.40 2vy6A1 PRO 542 HB2 -0.02 0.07 0.09 -0.04 2.28 2.38 2vy6A1 PRO 542 HB3 -0.03 0.16 0.22 -0.04 2.02 2.34 2vy6A1 PRO 542 HG2 -0.00 0.04 0.16 -0.04 2.03 2.18 2vy6A1 PRO 542 HG3 -0.01 -0.12 0.21 -0.04 2.03 2.07 2vy6A1 PRO 542 HD2 -0.00 0.13 0.24 -0.04 3.68 4.01 2vy6A1 PRO 542 HD3 -0.01 0.17 0.21 -0.04 3.65 3.99 2vy6A1 GLU 543 H 0.01 0.13 -0.13 -0.55 8.60 8.06 2vy6A1 GLU 543 HA 0.03 0.06 0.34 -0.75 4.29 3.96 2vy6A1 GLU 543 HB2 0.02 0.06 0.05 -0.04 2.09 2.18 2vy6A1 GLU 543 HB3 0.03 0.08 0.04 -0.04 1.99 2.10 2vy6A1 GLU 543 HG2 0.02 0.07 0.03 -0.04 2.34 2.42 2vy6A1 GLU 543 HG3 0.02 -0.03 0.03 -0.04 2.34 2.32 2vy6A1 SER 544 H 0.02 0.27 -0.25 -0.55 8.46 7.96 2vy6A1 SER 544 HA 0.04 0.01 0.43 -0.75 4.49 4.23 2vy6A1 SER 544 HB2 0.03 0.12 0.06 -0.04 3.95 4.11 2vy6A1 SER 544 HB3 0.02 0.14 -0.03 -0.04 3.93 4.02 2vy6A1 VAL 545 H 0.02 0.27 -0.21 -0.55 8.24 7.77 2vy6A1 VAL 545 HA 0.03 0.05 0.37 -0.75 4.13 3.82 2vy6A1 VAL 545 HB -0.01 0.09 0.11 -0.04 2.12 2.27 2vy6A1 VAL 545 HG13 -0.00 0.02 -0.34 -0.04 0.97 0.60 2vy6A1 VAL 545 HG23 -0.00 0.00 -0.06 -0.04 0.95 0.85 2vy6A1 LEU 546 H 0.04 0.47 -0.11 -0.55 8.37 8.22 2vy6A1 LEU 546 HA 0.20 0.02 0.43 -0.75 4.35 4.25 2vy6A1 LEU 546 HB2 0.11 0.11 0.12 -0.04 1.64 1.93 2vy6A1 LEU 546 HB3 0.27 -0.03 -0.07 -0.04 1.64 1.77 2vy6A1 LEU 546 HG -0.06 0.09 0.03 -0.04 1.64 1.66 2vy6A1 LEU 546 HD13 0.02 -0.03 -0.10 -0.04 0.93 0.77 2vy6A1 LEU 546 HD23 -0.20 -0.01 -0.04 -0.04 0.89 0.60 2vy6A1 VAL 547 H 0.11 0.57 -0.07 -0.55 8.24 8.30 2vy6A1 VAL 547 HA 0.20 0.00 0.42 -0.75 4.13 4.00 2vy6A1 VAL 547 HB 0.08 0.08 0.18 -0.04 2.12 2.42 2vy6A1 VAL 547 HG13 0.08 -0.02 -0.15 -0.04 0.97 0.84 2vy6A1 VAL 547 HG23 0.07 -0.02 0.04 -0.04 0.95 1.01 2vy6A1 ASN 548 H 0.10 0.68 -0.07 -0.55 8.53 8.69 2vy6A1 ASN 548 HA 0.12 -0.01 0.46 -0.75 4.76 4.58 2vy6A1 ASN 548 HB2 0.06 0.11 0.10 -0.04 2.88 3.11 2vy6A1 ASN 548 HB3 0.06 -0.08 -0.06 -0.04 2.79 2.67 2vy6A1 ASN 548 HD21 0.04 0.16 0.04 -0.04 7.03 7.22 2vy6A1 ASN 548 HD22 0.03 -0.14 -0.20 -0.04 7.74 7.39 2vy6A1 THR 549 H 0.11 0.50 -0.17 -0.55 8.28 8.18 2vy6A1 THR 549 HA 0.04 0.05 0.56 -0.75 4.39 4.29 2vy6A1 THR 549 HB 0.01 0.10 0.21 -0.04 4.32 4.61 2vy6A1 THR 549 HG23 -0.15 -0.01 -0.04 -0.04 1.22 0.98 2vy6A1 TYR 550 H 0.22 0.51 -0.08 -0.55 8.29 8.39 2vy6A1 TYR 550 HA 0.22 0.05 0.34 -0.75 4.56 4.41 2vy6A1 TYR 550 HB2 0.14 0.11 0.13 -0.04 3.06 3.39 2vy6A1 TYR 550 HB3 0.12 -0.07 -0.03 -0.04 2.98 2.96 2vy6A1 TYR 550 HD2 0.23 0.06 -0.04 -0.04 7.15 7.37 2vy6A1 TYR 550 HE2 0.27 0.11 0.03 -0.04 6.85 7.22 2vy6A1 GLN 551 H 0.23 0.65 0.03 -0.55 8.47 8.83 2vy6A1 GLN 551 HA 0.13 0.23 0.66 -0.75 4.36 4.63 2vy6A1 GLN 551 HB2 0.15 0.03 0.20 -0.04 2.15 2.49 2vy6A1 GLN 551 HB3 0.12 -0.09 0.01 -0.04 2.02 2.02 2vy6A1 GLN 551 HG2 0.08 0.04 0.15 -0.04 2.40 2.63 2vy6A1 GLN 551 HG3 0.12 0.11 0.20 -0.04 2.39 2.78 2vy6A1 GLN 551 HE21 0.05 -0.11 0.01 -0.04 6.97 6.88 2vy6A1 GLN 551 HE22 0.05 0.37 0.25 -0.04 7.69 8.31 2vy6A1 TRP 552 H 0.34 0.57 -0.30 -0.55 7.97 8.03 2vy6A1 TRP 552 HA 0.04 -0.04 0.42 -0.75 4.62 4.28 2vy6A1 TRP 552 HB2 0.00 0.07 0.17 -0.04 3.23 3.43 2vy6A1 TRP 552 HB3 -0.00 0.23 0.19 -0.04 3.23 3.60 2vy6A1 TRP 552 HD1 -0.01 -0.01 0.03 -0.04 7.22 7.19 2vy6A1 TRP 552 HE1 -0.04 -0.04 -0.00 -0.04 10.20 10.07 2vy6A1 TRP 552 HE3 -0.00 0.15 -0.22 -0.04 7.59 7.47 2vy6A1 TRP 552 HZ2 -0.08 -0.04 -0.02 -0.04 7.44 7.26 2vy6A1 TRP 552 HZ3 -0.00 0.04 -0.10 -0.04 7.13 7.02 2vy6A1 TRP 552 HH2 -0.10 0.00 -0.04 -0.04 7.19 7.01 2vy6A1 ILE 553 H 0.34 0.39 -0.28 -0.55 8.25 8.15 2vy6A1 ILE 553 HA -0.01 0.01 0.38 -0.75 4.18 3.81 2vy6A1 ILE 553 HB 0.28 0.09 0.09 -0.04 1.89 2.31 2vy6A1 ILE 553 HG12 0.69 -0.07 -0.06 -0.04 1.49 2.01 2vy6A1 ILE 553 HG13 0.59 0.19 0.03 -0.04 1.21 1.99 2vy6A1 ILE 553 HG23 0.34 -0.03 -0.14 -0.04 0.93 1.06 2vy6A1 ILE 553 HD13 0.30 -0.01 -0.06 -0.04 0.88 1.06 2vy6A1 ILE 554 H 0.11 0.62 -0.01 -0.55 8.25 8.41 2vy6A1 ILE 554 HA 0.00 -0.05 0.44 -0.75 4.18 3.82 2vy6A1 ILE 554 HB 0.04 0.18 0.19 -0.04 1.89 2.27 2vy6A1 ILE 554 HG12 -0.07 -0.13 -0.06 -0.04 1.49 1.18 2vy6A1 ILE 554 HG13 0.07 0.26 0.04 -0.04 1.21 1.54 2vy6A1 ILE 554 HG23 -0.00 -0.07 -0.13 -0.04 0.93 0.69 2vy6A1 ILE 554 HD13 -0.00 0.04 -0.37 -0.04 0.88 0.51 2vy6A1 ARG 555 H -0.01 0.65 -0.13 -0.55 8.46 8.42 2vy6A1 ARG 555 HA -0.02 -0.03 0.38 -0.75 4.34 3.92 2vy6A1 ARG 555 HB2 -0.01 0.20 0.15 -0.04 1.90 2.20 2vy6A1 ARG 555 HB3 -0.20 0.08 0.10 -0.04 1.80 1.73 2vy6A1 ARG 555 HG2 -0.07 -0.05 -0.05 -0.04 1.67 1.46 2vy6A1 ARG 555 HG3 -0.02 -0.06 0.08 -0.04 1.67 1.63 2vy6A1 ARG 555 HD2 0.02 -0.06 -0.00 -0.04 3.22 3.14 2vy6A1 ARG 555 HD3 0.03 0.01 -0.00 -0.04 3.22 3.22 2vy6A1 ASN 556 H -0.32 0.56 -0.31 -0.55 8.53 7.91 2vy6A1 ASN 556 HA -0.22 0.07 0.71 -0.75 4.76 4.57 2vy6A1 ASN 556 HB2 -1.11 0.21 0.13 -0.04 2.88 2.07 2vy6A1 ASN 556 HB3 -0.55 -0.18 0.19 -0.04 2.79 2.22 2vy6A1 ASN 556 HD21 -0.71 -0.09 0.01 -0.04 7.03 6.20 2vy6A1 ASN 556 HD22 -1.37 0.72 0.21 -0.04 7.74 7.25 2vy6A1 TRP 557 H 0.15 0.51 -0.41 -0.55 7.97 7.67 2vy6A1 TRP 557 HA -0.10 0.04 0.20 -0.75 4.62 4.01 2vy6A1 TRP 557 HB2 -0.05 0.14 0.21 -0.04 3.23 3.49 2vy6A1 TRP 557 HB3 -0.05 -0.01 0.17 -0.04 3.23 3.30 2vy6A1 TRP 557 HD1 -0.02 0.02 -0.04 -0.04 7.22 7.14 2vy6A1 TRP 557 HE1 0.02 -0.01 -0.03 -0.04 10.20 10.14 2vy6A1 TRP 557 HE3 -0.03 0.13 -0.06 -0.04 7.59 7.59 2vy6A1 TRP 557 HZ2 0.05 -0.04 -0.02 -0.04 7.44 7.38 2vy6A1 TRP 557 HZ3 -0.10 0.06 -0.16 -0.04 7.13 6.88 2vy6A1 TRP 557 HH2 -0.42 0.01 -0.06 -0.04 7.19 6.69 2vy6A1 GLU 558 H -0.00 0.19 -0.13 -0.55 8.60 8.12 2vy6A1 GLU 558 HA -0.30 0.06 0.45 -0.75 4.29 3.75 2vy6A1 GLU 558 HB2 -0.07 0.02 0.07 -0.04 2.09 2.06 2vy6A1 GLU 558 HB3 -0.09 0.01 0.01 -0.04 1.99 1.88 2vy6A1 GLU 558 HG2 0.03 0.02 0.07 -0.04 2.34 2.43 2vy6A1 GLU 558 HG3 -0.02 0.01 0.04 -0.04 2.34 2.33 2vy6A1 THR 559 H -0.16 0.25 -0.16 -0.55 8.28 7.66 2vy6A1 THR 559 HA -0.13 0.11 0.71 -0.75 4.39 4.32 2vy6A1 THR 559 HB -0.07 -0.02 -0.01 -0.04 4.32 4.17 2vy6A1 THR 559 HG23 -0.07 -0.01 0.01 -0.04 1.22 1.11 2vy6A1 VAL 560 H -0.22 0.69 0.07 -0.55 8.24 8.23 2vy6A1 VAL 560 HA -0.04 0.01 0.41 -0.75 4.13 3.75 2vy6A1 VAL 560 HB -0.05 0.07 0.03 -0.04 2.12 2.13 2vy6A1 VAL 560 HG13 0.19 -0.01 -0.18 -0.04 0.97 0.93 2vy6A1 VAL 560 HG23 -0.10 0.02 -0.01 -0.04 0.95 0.81 2vy6A1 LYS 561 H -0.86 0.86 -0.10 -0.55 8.42 7.76 2vy6A1 LYS 561 HA -0.83 0.01 0.31 -0.75 4.32 3.05 2vy6A1 LYS 561 HB2 -0.57 0.09 0.02 -0.04 1.87 1.37 2vy6A1 LYS 561 HB3 -0.39 -0.05 -0.21 -0.04 1.79 1.10 2vy6A1 LYS 561 HG2 -0.89 -0.08 -0.00 -0.04 1.46 0.44 2vy6A1 LYS 561 HG3 -2.93 0.19 0.04 -0.04 1.46 -1.28 2vy6A1 LYS 561 HD2 -0.48 -0.05 -0.09 -0.04 1.69 1.02 2vy6A1 LYS 561 HD3 -0.46 0.05 0.01 -0.04 1.68 1.24 2vy6A1 LYS 561 HE2 -0.25 0.01 -0.06 -0.04 2.99 2.64 2vy6A1 LYS 561 HE3 -0.01 -0.04 -0.04 -0.04 2.99 2.85 2vy6A1 ILE 562 H -0.24 0.27 -0.44 -0.55 8.25 7.29 2vy6A1 ILE 562 HA -0.07 0.05 0.43 -0.75 4.18 3.83 2vy6A1 ILE 562 HB -0.11 0.15 0.19 -0.04 1.89 2.08 2vy6A1 ILE 562 HG12 -0.09 -0.02 0.07 -0.04 1.49 1.40 2vy6A1 ILE 562 HG13 -0.09 -0.04 0.05 -0.04 1.21 1.09 2vy6A1 ILE 562 HG23 -0.05 -0.02 -0.13 -0.04 0.93 0.68 2vy6A1 ILE 562 HD13 -0.19 0.14 0.07 -0.04 0.88 0.86 2vy6A1 GLN 563 H -0.06 0.54 -0.09 -0.55 8.47 8.32 2vy6A1 GLN 563 HA -0.03 -0.03 0.35 -0.75 4.36 3.89 2vy6A1 GLN 563 HB2 0.02 0.11 0.10 -0.04 2.15 2.35 2vy6A1 GLN 563 HB3 0.01 -0.02 -0.07 -0.04 2.02 1.89 2vy6A1 GLN 563 HG2 -0.01 -0.05 -0.01 -0.04 2.40 2.29 2vy6A1 GLN 563 HG3 -0.03 0.01 0.02 -0.04 2.39 2.35 2vy6A1 GLN 563 HE21 0.03 -0.02 -0.06 -0.04 6.97 6.88 2vy6A1 GLN 563 HE22 0.00 -0.02 -0.04 -0.04 7.69 7.58 2vy6A1 TRP 564 H 0.13 0.64 -0.22 -0.55 7.97 7.98 2vy6A1 TRP 564 HA -0.12 -0.01 0.38 -0.75 4.62 4.11 2vy6A1 TRP 564 HB2 -0.08 0.02 0.04 -0.04 3.23 3.17 2vy6A1 TRP 564 HB3 -0.11 0.12 0.09 -0.04 3.23 3.29 2vy6A1 TRP 564 HD1 -0.22 0.01 -0.04 -0.04 7.22 6.92 2vy6A1 TRP 564 HE1 -2.26 -0.00 -0.03 -0.04 10.20 7.87 2vy6A1 TRP 564 HE3 0.09 0.08 -0.19 -0.04 7.59 7.53 2vy6A1 TRP 564 HZ2 -0.12 -0.02 0.02 -0.04 7.44 7.28 2vy6A1 TRP 564 HZ3 0.25 -0.01 -0.10 -0.04 7.13 7.23 2vy6A1 TRP 564 HH2 0.05 -0.01 -0.19 -0.04 7.19 7.01 2vy6A1 SER 565 H 0.23 0.37 -0.32 -0.55 8.46 8.20 2vy6A1 SER 565 HA -0.11 0.03 0.39 -0.75 4.49 4.05 2vy6A1 SER 565 HB2 0.05 0.12 0.18 -0.04 3.95 4.26 2vy6A1 SER 565 HB3 0.04 -0.06 -0.00 -0.04 3.93 3.87 2vy6A1 GLN 566 H -0.05 0.30 -0.16 -0.55 8.47 8.01 2vy6A1 GLN 566 HA -0.07 0.14 0.58 -0.75 4.36 4.26 2vy6A1 GLN 566 HB2 -0.05 0.03 0.05 -0.04 2.15 2.13 2vy6A1 GLN 566 HB3 -0.05 -0.07 -0.06 -0.04 2.02 1.80 2vy6A1 GLN 566 HG2 -0.04 -0.01 -0.06 -0.04 2.40 2.25 2vy6A1 GLN 566 HG3 -0.03 0.05 -0.01 -0.04 2.39 2.36 2vy6A1 GLN 566 HE21 -0.03 -0.04 -0.02 -0.04 6.97 6.83 2vy6A1 GLN 566 HE22 -0.03 0.01 -0.02 -0.04 7.69 7.61 2vy6A1 ASN 567 H -0.10 0.60 0.01 -0.55 8.53 8.49 2vy6A1 ASN 567 HA -0.10 0.14 0.81 -0.75 4.76 4.86 2vy6A1 ASN 567 HB2 -0.05 0.04 -0.16 -0.04 2.88 2.67 2vy6A1 ASN 567 HB3 -0.05 -0.03 0.15 -0.04 2.79 2.81 2vy6A1 ASN 567 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.97 2vy6A1 ASN 567 HD22 -0.03 0.02 0.00 -0.04 7.74 7.70 2vy6A1 PRO 568 HA -0.47 0.04 0.42 -0.51 4.44 3.92 2vy6A1 PRO 568 HB2 -0.63 0.00 -0.01 -0.04 2.28 1.60 2vy6A1 PRO 568 HB3 -0.59 0.17 0.12 -0.04 2.02 1.68 2vy6A1 PRO 568 HG2 -0.20 -0.06 0.03 -0.04 2.03 1.77 2vy6A1 PRO 568 HG3 -0.31 0.16 -0.00 -0.04 2.03 1.83 2vy6A1 PRO 568 HD2 -0.17 0.11 -0.12 -0.04 3.68 3.46 2vy6A1 PRO 568 HD3 -0.24 0.25 -0.37 -0.04 3.65 3.24 2vy6A1 THR 569 H -0.17 0.15 -0.19 -0.55 8.28 7.52 2vy6A1 THR 569 HA -0.01 0.13 0.27 -0.75 4.39 4.02 2vy6A1 THR 569 HB -0.03 -0.04 0.01 -0.04 4.32 4.22 2vy6A1 THR 569 HG23 0.04 0.01 -0.07 -0.04 1.22 1.16 2vy6A1 MET 570 H -0.08 0.15 -0.31 -0.55 8.47 7.68 2vy6A1 MET 570 HA 0.02 0.05 0.40 -0.75 4.52 4.24 2vy6A1 MET 570 HB2 -0.00 -0.04 0.04 -0.04 2.15 2.11 2vy6A1 MET 570 HB3 -0.03 0.17 0.12 -0.04 2.03 2.25 2vy6A1 MET 570 HG2 0.02 0.04 -0.30 -0.04 2.63 2.35 2vy6A1 MET 570 HG3 0.04 -0.04 -0.26 -0.04 2.56 2.26 2vy6A1 MET 570 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.04 2vy6A1 LEU 571 H -0.09 0.36 -0.15 -0.55 8.37 7.94 2vy6A1 LEU 571 HA 0.19 -0.02 0.44 -0.75 4.35 4.21 2vy6A1 LEU 571 HB2 0.05 -0.06 -0.08 -0.04 1.64 1.51 2vy6A1 LEU 571 HB3 -0.15 0.14 0.05 -0.04 1.64 1.64 2vy6A1 LEU 571 HG 0.42 0.06 -0.28 -0.04 1.64 1.80 2vy6A1 LEU 571 HD13 0.41 -0.03 0.00 -0.04 0.93 1.27 2vy6A1 LEU 571 HD23 0.30 -0.00 -0.08 -0.04 0.89 1.06 2vy6A1 TYR 572 H -0.10 0.64 -0.17 -0.55 8.29 8.11 2vy6A1 TYR 572 HA 0.09 0.02 0.20 -0.75 4.56 4.11 2vy6A1 TYR 572 HB2 0.07 0.00 -0.01 -0.04 3.06 3.08 2vy6A1 TYR 572 HB3 0.05 0.20 -0.11 -0.04 2.98 3.08 2vy6A1 TYR 572 HD2 0.08 -0.04 -0.15 -0.04 7.15 7.00 2vy6A1 TYR 572 HE2 0.19 -0.05 -0.07 -0.04 6.85 6.89 2vy6A1 ASN 573 H 0.17 0.27 -0.46 -0.55 8.53 7.97 2vy6A1 ASN 573 HA 0.14 0.17 0.54 -0.75 4.76 4.86 2vy6A1 ASN 573 HB2 0.08 0.03 0.10 -0.04 2.88 3.05 2vy6A1 ASN 573 HB3 0.07 -0.14 0.10 -0.04 2.79 2.78 2vy6A1 ASN 573 HD21 0.06 -0.07 -0.05 -0.04 7.03 6.93 2vy6A1 ASN 573 HD22 0.05 -0.09 -0.05 -0.04 7.74 7.61 2vy6A1 LYS 574 H 0.25 0.39 -0.50 -0.55 8.42 8.00 2vy6A1 LYS 574 HA 0.02 -0.05 0.48 -0.75 4.32 4.01 2vy6A1 LYS 574 HB2 0.13 0.36 0.15 -0.04 1.87 2.46 2vy6A1 LYS 574 HB3 -0.32 -0.26 0.00 -0.04 1.79 1.18 2vy6A1 LYS 574 HG2 0.04 -0.11 0.06 -0.04 1.46 1.40 2vy6A1 LYS 574 HG3 0.12 0.24 0.08 -0.04 1.46 1.85 2vy6A1 LYS 574 HD2 0.30 0.06 0.04 -0.04 1.69 2.05 2vy6A1 LYS 574 HD3 0.30 -0.06 0.00 -0.04 1.68 1.89 2vy6A1 LYS 574 HE2 0.20 -0.02 -0.05 -0.04 2.99 3.07 2vy6A1 LYS 574 HE3 0.31 -0.04 -0.02 -0.04 2.99 3.20 2vy6A1 MET 575 H -0.06 0.14 0.23 -0.55 8.47 8.23 2vy6A1 MET 575 HA -0.04 0.14 0.41 -0.75 4.52 4.27 2vy6A1 MET 575 HB2 -0.08 -0.03 0.13 -0.04 2.15 2.13 2vy6A1 MET 575 HB3 -0.07 -0.02 0.11 -0.04 2.03 2.02 2vy6A1 MET 575 HG2 -0.02 0.02 0.09 -0.04 2.63 2.68 2vy6A1 MET 575 HG3 -0.01 0.11 0.13 -0.04 2.56 2.75 2vy6A1 MET 575 HE3 -0.00 0.00 0.02 -0.04 2.10 2.08 2vy6A1 GLU 576 H -0.42 0.06 -0.46 -0.55 8.60 7.23 2vy6A1 GLU 576 HA -0.41 0.09 0.54 -0.75 4.29 3.76 2vy6A1 GLU 576 HB2 -1.51 0.05 -0.05 -0.04 2.09 0.54 2vy6A1 GLU 576 HB3 -1.37 0.03 0.07 -0.04 1.99 0.69 2vy6A1 GLU 576 HG2 -1.05 0.03 0.01 -0.04 2.34 1.28 2vy6A1 GLU 576 HG3 -0.48 -0.01 -0.02 -0.04 2.34 1.79 2vy6A1 PHE 577 H -0.26 0.58 -0.30 -0.55 8.34 7.81 2vy6A1 PHE 577 HA -0.16 0.07 0.79 -0.75 4.62 4.57 2vy6A1 PHE 577 HB2 -0.05 0.25 0.04 -0.04 3.15 3.35 2vy6A1 PHE 577 HB3 -0.09 -0.01 0.15 -0.04 3.06 3.07 2vy6A1 PHE 577 HD2 -0.09 0.07 0.01 -0.04 7.28 7.22 2vy6A1 PHE 577 HE2 0.13 0.12 -0.07 -0.04 7.38 7.52 2vy6A1 PHE 577 HZ 0.39 -0.06 -0.12 -0.04 7.32 7.49 2vy6A1 GLU 578 H -0.04 0.33 -0.27 -0.55 8.60 8.07 2vy6A1 GLU 578 HA 0.05 0.09 0.44 -0.75 4.29 4.11 2vy6A1 GLU 578 HB2 -0.04 0.13 0.14 -0.04 2.09 2.28 2vy6A1 GLU 578 HB3 -0.00 -0.07 -0.02 -0.04 1.99 1.85 2vy6A1 GLU 578 HG2 0.02 0.02 0.02 -0.04 2.34 2.36 2vy6A1 GLU 578 HG3 -0.01 0.02 0.10 -0.04 2.34 2.41 2vy6A1 PRO 579 HA -0.00 0.04 0.45 -0.51 4.44 4.42 2vy6A1 PRO 579 HB2 0.01 0.05 -0.00 -0.04 2.28 2.30 2vy6A1 PRO 579 HB3 -0.01 -0.01 0.03 -0.04 2.02 1.98 2vy6A1 PRO 579 HG2 -0.09 0.16 0.03 -0.04 2.03 2.09 2vy6A1 PRO 579 HG3 -0.05 0.01 0.03 -0.04 2.03 1.97 2vy6A1 PRO 579 HD2 -0.08 0.13 -0.26 -0.04 3.68 3.42 2vy6A1 PRO 579 HD3 -0.06 0.13 0.05 -0.04 3.65 3.74 2vy6A1 PHE 580 H 0.15 0.24 -0.22 -0.55 8.34 7.96 2vy6A1 PHE 580 HA -0.05 -0.02 0.33 -0.75 4.62 4.12 2vy6A1 PHE 580 HB2 -0.08 0.00 0.08 -0.04 3.15 3.11 2vy6A1 PHE 580 HB3 -0.05 0.19 0.08 -0.04 3.06 3.23 2vy6A1 PHE 580 HD2 -0.23 0.05 -0.22 -0.04 7.28 6.84 2vy6A1 PHE 580 HE2 -0.76 0.01 -0.13 -0.04 7.38 6.46 2vy6A1 PHE 580 HZ -0.52 0.02 -0.10 -0.04 7.32 6.69 2vy6A1 GLN 581 H 0.15 0.45 -0.34 -0.55 8.47 8.18 2vy6A1 GLN 581 HA 0.14 -0.01 0.18 -0.75 4.36 3.93 2vy6A1 GLN 581 HB2 0.08 0.12 0.17 -0.04 2.15 2.48 2vy6A1 GLN 581 HB3 0.06 -0.08 -0.03 -0.04 2.02 1.93 2vy6A1 GLN 581 HG2 0.10 0.13 -0.01 -0.04 2.40 2.57 2vy6A1 GLN 581 HG3 0.07 0.05 -0.19 -0.04 2.39 2.28 2vy6A1 GLN 581 HE21 0.13 -0.04 0.01 -0.04 6.97 7.03 2vy6A1 GLN 581 HE22 0.02 0.32 0.01 -0.04 7.69 8.00 2vy6A1 SER 582 H 0.02 0.39 -0.35 -0.55 8.46 7.97 2vy6A1 SER 582 HA 0.00 0.02 0.43 -0.75 4.49 4.20 2vy6A1 SER 582 HB2 -0.01 -0.11 0.11 -0.04 3.95 3.90 2vy6A1 SER 582 HB3 -0.00 0.01 0.12 -0.04 3.93 4.02 2vy6A1 LEU 583 H -0.08 0.53 -0.33 -0.55 8.37 7.94 2vy6A1 LEU 583 HA -0.05 0.06 0.74 -0.75 4.35 4.34 2vy6A1 LEU 583 HB2 -0.31 0.18 0.11 -0.04 1.64 1.57 2vy6A1 LEU 583 HB3 -0.14 -0.12 0.17 -0.04 1.64 1.52 2vy6A1 LEU 583 HG -0.11 0.19 0.04 -0.04 1.64 1.71 2vy6A1 LEU 583 HD13 -0.17 -0.03 0.02 -0.04 0.93 0.71 2vy6A1 LEU 583 HD23 -0.05 0.01 0.02 -0.04 0.89 0.83 2vy6A1 VAL 584 H -0.02 0.40 -0.20 -0.55 8.24 7.87 2vy6A1 VAL 584 HA 0.09 0.15 0.69 -0.75 4.13 4.31 2vy6A1 VAL 584 HB 0.10 0.13 0.15 -0.04 2.12 2.47 2vy6A1 VAL 584 HG13 0.29 0.00 -0.07 -0.04 0.97 1.16 2vy6A1 VAL 584 HG23 0.14 0.05 -0.06 -0.04 0.95 1.03 2vy6A1 PRO 585 HA -0.02 0.04 0.32 -0.51 4.44 4.27 2vy6A1 PRO 585 HB2 -0.10 -0.10 0.08 -0.04 2.28 2.12 2vy6A1 PRO 585 HB3 -0.03 0.01 0.06 -0.04 2.02 2.01 2vy6A1 PRO 585 HG2 0.02 -0.01 0.01 -0.04 2.03 2.02 2vy6A1 PRO 585 HG3 0.02 0.04 -0.01 -0.04 2.03 2.04 2vy6A1 PRO 585 HD2 0.11 0.12 0.18 -0.04 3.68 4.05 2vy6A1 PRO 585 HD3 0.09 0.23 0.18 -0.04 3.65 4.11 2vy6A1 LYS 586 H -0.02 0.15 0.20 -0.55 8.42 8.19 2vy6A1 LYS 586 HA -0.02 0.17 0.26 -0.75 4.32 3.97 2vy6A1 LYS 586 HB2 -0.01 0.08 0.18 -0.04 1.87 2.08 2vy6A1 LYS 586 HB3 -0.02 -0.06 0.13 -0.04 1.79 1.80 2vy6A1 LYS 586 HG2 -0.02 -0.02 0.02 -0.04 1.46 1.40 2vy6A1 LYS 586 HG3 -0.01 0.06 0.08 -0.04 1.46 1.55 2vy6A1 LYS 586 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.66 2vy6A1 LYS 586 HD3 -0.01 -0.02 -0.04 -0.04 1.68 1.57 2vy6A1 LYS 586 HE2 -0.00 0.01 0.01 -0.04 2.99 2.96 2vy6A1 LYS 586 HE3 -0.00 0.03 0.02 -0.04 2.99 2.99 2vy6A1 ALA 587 H -0.05 0.04 -0.31 -0.55 8.40 7.54 2vy6A1 ALA 587 HA -0.04 0.11 0.31 -0.75 4.34 3.97 2vy6A1 ALA 587 HB3 -0.04 0.00 0.05 -0.04 1.41 1.38 2vy6A1 ILE 588 H -0.15 0.52 -0.27 -0.55 8.25 7.80 2vy6A1 ILE 588 HA -0.16 0.18 1.01 -0.75 4.18 4.46 2vy6A1 ILE 588 HB -0.51 -0.04 0.10 -0.04 1.89 1.40 2vy6A1 ILE 588 HG12 -0.33 0.12 -0.00 -0.04 1.49 1.23 2vy6A1 ILE 588 HG13 -1.23 0.03 -0.21 -0.04 1.21 -0.24 2vy6A1 ILE 588 HG23 -0.11 -0.01 -0.21 -0.04 0.93 0.55 2vy6A1 ILE 588 HD13 -0.25 -0.01 -0.02 -0.04 0.88 0.56 2vy6A1 ARG 589 H -0.14 0.37 -0.00 -0.55 8.46 8.14 2vy6A1 ARG 589 HA -0.01 0.06 0.43 -0.75 4.34 4.06 2vy6A1 ARG 589 HB2 -0.02 0.00 0.08 -0.04 1.90 1.92 2vy6A1 ARG 589 HB3 0.02 0.03 -0.11 -0.04 1.80 1.71 2vy6A1 ARG 589 HG2 0.06 -0.01 -0.04 -0.04 1.67 1.64 2vy6A1 ARG 589 HG3 -0.02 0.10 -0.29 -0.04 1.67 1.42 2vy6A1 ARG 589 HD2 0.00 -0.05 0.02 -0.04 3.22 3.15 2vy6A1 ARG 589 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.19 2vy6A1 GLY 590 H -0.04 0.14 -0.25 -0.55 8.43 7.73 2vy6A1 GLY 590 HA2 0.01 0.27 0.27 -0.51 4.01 4.05 2vy6A1 GLY 590 HA3 0.00 0.09 0.27 -0.51 4.01 3.86 2vy6A1 GLN 591 H -0.05 0.11 -0.19 -0.55 8.47 7.80 2vy6A1 GLN 591 HA 0.08 0.39 0.51 -0.75 4.36 4.58 2vy6A1 GLN 591 HB2 -0.05 0.08 0.11 -0.04 2.15 2.25 2vy6A1 GLN 591 HB3 0.21 -0.03 -0.07 -0.04 2.02 2.08 2vy6A1 GLN 591 HG2 0.06 0.07 -0.11 -0.04 2.40 2.38 2vy6A1 GLN 591 HG3 0.00 -0.01 0.05 -0.04 2.39 2.39 2vy6A1 GLN 591 HE21 0.03 -0.05 0.02 -0.04 6.97 6.93 2vy6A1 GLN 591 HE22 0.01 0.07 0.05 -0.04 7.69 7.77 2vy6A1 TYR 592 H -0.10 0.52 -0.06 -0.55 8.29 8.10 2vy6A1 TYR 592 HA -0.45 -0.03 0.52 -0.75 4.56 3.85 2vy6A1 TYR 592 HB2 -0.06 0.17 0.19 -0.04 3.06 3.31 2vy6A1 TYR 592 HB3 -0.08 0.03 -0.03 -0.04 2.98 2.87 2vy6A1 TYR 592 HD2 -0.54 0.01 -0.01 -0.04 7.15 6.57 2vy6A1 TYR 592 HE2 -0.35 0.12 0.08 -0.04 6.85 6.66 2vy6A1 SER 593 H 0.09 0.51 -0.17 -0.55 8.46 8.33 2vy6A1 SER 593 HA -0.02 0.10 0.37 -0.75 4.49 4.19 2vy6A1 SER 593 HB2 0.02 -0.01 0.08 -0.04 3.95 4.00 2vy6A1 SER 593 HB3 0.01 -0.03 -0.00 -0.04 3.93 3.87 2vy6A1 GLY 594 H 0.05 0.65 0.05 -0.55 8.43 8.62 2vy6A1 GLY 594 HA2 0.01 -0.02 0.35 -0.51 4.01 3.84 2vy6A1 GLY 594 HA3 0.07 0.14 0.24 -0.51 4.01 3.95 2vy6A1 PHE 595 H 0.22 0.64 -0.24 -0.55 8.34 8.40 2vy6A1 PHE 595 HA 0.04 -0.04 0.40 -0.75 4.62 4.27 2vy6A1 PHE 595 HB2 0.22 0.05 0.14 -0.04 3.15 3.52 2vy6A1 PHE 595 HB3 -0.07 0.22 0.20 -0.04 3.06 3.37 2vy6A1 PHE 595 HD2 -0.02 0.06 -0.02 -0.04 7.28 7.26 2vy6A1 PHE 595 HE2 0.00 -0.04 0.04 -0.04 7.38 7.34 2vy6A1 PHE 595 HZ 0.04 0.26 0.13 -0.04 7.32 7.70 2vy6A1 VAL 596 H -0.02 0.71 -0.04 -0.55 8.24 8.33 2vy6A1 VAL 596 HA -0.51 -0.02 0.44 -0.75 4.13 3.29 2vy6A1 VAL 596 HB -0.23 0.14 -0.02 -0.04 2.12 1.96 2vy6A1 VAL 596 HG13 -0.82 0.02 -0.20 -0.04 0.97 -0.07 2vy6A1 VAL 596 HG23 -0.13 0.01 -0.03 -0.04 0.95 0.75 2vy6A1 ARG 597 H -0.20 0.83 -0.09 -0.55 8.46 8.45 2vy6A1 ARG 597 HA -0.15 -0.02 0.36 -0.75 4.34 3.78 2vy6A1 ARG 597 HB2 -0.08 0.11 0.14 -0.04 1.90 2.03 2vy6A1 ARG 597 HB3 -0.01 -0.08 0.01 -0.04 1.80 1.67 2vy6A1 ARG 597 HG2 -0.43 -0.08 0.03 -0.04 1.67 1.15 2vy6A1 ARG 597 HG3 -0.35 0.10 0.08 -0.04 1.67 1.45 2vy6A1 ARG 597 HD2 -0.04 -0.06 -0.06 -0.04 3.22 3.02 2vy6A1 ARG 597 HD3 0.06 -0.11 -0.02 -0.04 3.22 3.11 2vy6A1 THR 598 H -0.12 0.48 -0.31 -0.55 8.28 7.78 2vy6A1 THR 598 HA -0.02 0.02 0.43 -0.75 4.39 4.06 2vy6A1 THR 598 HB -0.11 0.13 0.15 -0.04 4.32 4.45 2vy6A1 THR 598 HG23 -0.02 -0.06 -0.03 -0.04 1.22 1.08 2vy6A1 LEU 599 H -0.32 0.58 -0.03 -0.55 8.37 8.06 2vy6A1 LEU 599 HA -0.09 0.03 0.51 -0.75 4.35 4.04 2vy6A1 LEU 599 HB2 -0.34 0.11 0.06 -0.04 1.64 1.43 2vy6A1 LEU 599 HB3 -0.13 -0.16 -0.02 -0.04 1.64 1.29 2vy6A1 LEU 599 HG -0.89 0.36 -0.01 -0.04 1.64 1.06 2vy6A1 LEU 599 HD13 -0.47 0.04 -0.26 -0.04 0.93 0.19 2vy6A1 LEU 599 HD23 -0.37 -0.08 -0.39 -0.04 0.89 0.01 2vy6A1 PHE 600 H -0.05 0.68 -0.15 -0.55 8.34 8.27 2vy6A1 PHE 600 HA 0.36 -0.04 0.48 -0.75 4.62 4.67 2vy6A1 PHE 600 HB2 0.10 0.16 0.12 -0.04 3.15 3.48 2vy6A1 PHE 600 HB3 0.10 -0.03 -0.01 -0.04 3.06 3.07 2vy6A1 PHE 600 HD2 0.31 -0.04 -0.08 -0.04 7.28 7.43 2vy6A1 PHE 600 HE2 0.13 0.01 -0.09 -0.04 7.38 7.39 2vy6A1 PHE 600 HZ 0.10 -0.01 -0.16 -0.04 7.32 7.21 2vy6A1 GLN 601 H 0.10 0.53 -0.18 -0.55 8.47 8.37 2vy6A1 GLN 601 HA -0.02 0.01 0.40 -0.75 4.36 4.00 2vy6A1 GLN 601 HB2 0.02 0.11 0.17 -0.04 2.15 2.41 2vy6A1 GLN 601 HB3 0.01 0.00 0.14 -0.04 2.02 2.14 2vy6A1 GLN 601 HG2 -0.01 0.07 0.03 -0.04 2.40 2.45 2vy6A1 GLN 601 HG3 -0.01 -0.08 0.00 -0.04 2.39 2.27 2vy6A1 GLN 601 HE21 -0.07 0.03 -0.00 -0.04 6.97 6.89 2vy6A1 GLN 601 HE22 -0.03 -0.05 0.01 -0.04 7.69 7.59 2vy6A1 GLN 602 H 0.05 0.55 -0.08 -0.55 8.47 8.45 2vy6A1 GLN 602 HA 0.04 -0.06 0.40 -0.75 4.36 3.98 2vy6A1 GLN 602 HB2 0.05 0.31 0.25 -0.04 2.15 2.72 2vy6A1 GLN 602 HB3 0.04 -0.06 0.11 -0.04 2.02 2.06 2vy6A1 GLN 602 HG2 0.01 -0.13 0.03 -0.04 2.40 2.26 2vy6A1 GLN 602 HG3 0.00 0.25 0.12 -0.04 2.39 2.72 2vy6A1 GLN 602 HE21 0.02 0.25 0.24 -0.04 6.97 7.43 2vy6A1 GLN 602 HE22 0.01 0.58 0.28 -0.04 7.69 8.53 2vy6A1 MET 603 H 0.19 0.51 -0.31 -0.55 8.47 8.30 2vy6A1 MET 603 HA 0.15 -0.01 0.38 -0.75 4.52 4.29 2vy6A1 MET 603 HB2 0.22 -0.04 -0.01 -0.04 2.15 2.27 2vy6A1 MET 603 HB3 0.51 0.17 0.09 -0.04 2.03 2.75 2vy6A1 MET 603 HG2 0.39 -0.01 -0.28 -0.04 2.63 2.69 2vy6A1 MET 603 HG3 0.13 0.06 -0.21 -0.04 2.56 2.50 2vy6A1 MET 603 HE3 -0.01 0.00 0.01 -0.04 2.10 2.06 2vy6A1 ARG 604 H 0.15 0.52 -0.13 -0.55 8.46 8.46 2vy6A1 ARG 604 HA 0.21 -0.02 0.50 -0.75 4.34 4.28 2vy6A1 ARG 604 HB2 -0.05 0.08 0.15 -0.04 1.90 2.04 2vy6A1 ARG 604 HB3 -0.05 -0.05 0.02 -0.04 1.80 1.67 2vy6A1 ARG 604 HG2 -0.34 -0.10 0.01 -0.04 1.67 1.20 2vy6A1 ARG 604 HG3 -0.42 0.19 0.01 -0.04 1.67 1.41 2vy6A1 ARG 604 HD2 -0.28 -0.06 -0.00 -0.04 3.22 2.83 2vy6A1 ARG 604 HD3 -0.33 0.07 0.06 -0.04 3.22 2.98 2vy6A1 ASP 605 H 0.06 0.62 -0.14 -0.55 8.40 8.39 2vy6A1 ASP 605 HA 0.03 0.03 0.52 -0.75 4.63 4.46 2vy6A1 ASP 605 HB2 0.03 0.07 0.06 -0.04 2.71 2.82 2vy6A1 ASP 605 HB3 0.02 -0.11 0.03 -0.04 2.70 2.59 2vy6A1 VAL 606 H 0.08 0.49 -0.24 -0.55 8.24 8.03 2vy6A1 VAL 606 HA 0.04 0.02 0.76 -0.75 4.13 4.21 2vy6A1 VAL 606 HB 0.07 0.01 0.10 -0.04 2.12 2.26 2vy6A1 VAL 606 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 2vy6A1 VAL 606 HG23 0.04 0.02 -0.06 -0.04 0.95 0.90 2vy6A1 LEU 607 H 0.04 0.12 0.14 -0.55 8.37 8.13 2vy6A1 LEU 607 HA 0.07 0.04 0.17 -0.75 4.35 3.88 2vy6A1 LEU 607 HB2 0.04 -0.02 0.10 -0.04 1.64 1.71 2vy6A1 LEU 607 HB3 0.04 -0.03 -0.02 -0.04 1.64 1.58 2vy6A1 LEU 607 HG 0.03 0.12 0.07 -0.04 1.64 1.82 2vy6A1 LEU 607 HD13 0.02 -0.01 0.05 -0.04 0.93 0.94 2vy6A1 LEU 607 HD23 0.03 -0.01 0.02 -0.04 0.89 0.89 2vy6A1 GLY 608 H 0.08 0.09 0.19 -0.55 8.43 8.24 2vy6A1 GLY 608 HA2 0.07 -0.05 0.37 -0.51 4.01 3.89 2vy6A1 GLY 608 HA3 0.05 0.11 0.50 -0.51 4.01 4.17 2vy6A1 THR 609 H 0.12 0.27 -0.06 -0.55 8.28 8.07 2vy6A1 THR 609 HA 0.07 0.30 0.98 -0.75 4.39 4.99 2vy6A1 THR 609 HB 0.06 -0.12 0.17 -0.04 4.32 4.39 2vy6A1 THR 609 HG23 0.05 0.04 -0.31 -0.04 1.22 0.97 2vy6A1 PHE 610 H 0.25 -0.02 -0.10 -0.55 8.34 7.92 2vy6A1 PHE 610 HA 0.01 0.05 0.49 -0.75 4.62 4.42 2vy6A1 PHE 610 HB2 0.05 0.02 0.07 -0.04 3.15 3.25 2vy6A1 PHE 610 HB3 0.02 -0.02 -0.02 -0.04 3.06 3.00 2vy6A1 PHE 610 HD2 0.04 0.02 -0.17 -0.04 7.28 7.13 2vy6A1 PHE 610 HE2 -0.05 0.01 -0.07 -0.04 7.38 7.23 2vy6A1 PHE 610 HZ -0.08 0.01 -0.06 -0.04 7.32 7.16 2vy6A1 ASP 611 H -0.74 0.21 0.09 -0.55 8.40 7.40 2vy6A1 ASP 611 HA -0.13 0.12 0.89 -0.75 4.63 4.76 2vy6A1 ASP 611 HB2 -0.09 0.25 -0.14 -0.04 2.71 2.69 2vy6A1 ASP 611 HB3 -0.18 -0.01 0.18 -0.04 2.70 2.64 2vy6A1 THR 612 H -0.15 0.24 0.12 -0.55 8.28 7.94 2vy6A1 THR 612 HA -0.32 0.12 0.24 -0.75 4.39 3.68 2vy6A1 THR 612 HB -0.18 -0.04 0.11 -0.04 4.32 4.17 2vy6A1 THR 612 HG23 -0.68 0.02 -0.14 -0.04 1.22 0.38 2vy6A1 THR 613 H -0.31 0.09 -0.05 -0.55 8.28 7.47 2vy6A1 THR 613 HA -0.35 0.11 0.36 -0.75 4.39 3.75 2vy6A1 THR 613 HB -0.30 0.04 -0.05 -0.04 4.32 3.97 2vy6A1 THR 613 HG23 -0.85 0.00 -0.03 -0.04 1.22 0.30 2vy6A1 GLN 614 H -0.21 0.04 -0.29 -0.55 8.47 7.46 2vy6A1 GLN 614 HA -0.16 0.11 0.55 -0.75 4.36 4.11 2vy6A1 GLN 614 HB2 -0.11 -0.09 0.07 -0.04 2.15 1.98 2vy6A1 GLN 614 HB3 -0.13 0.10 0.05 -0.04 2.02 2.00 2vy6A1 GLN 614 HG2 -0.02 -0.04 -0.02 -0.04 2.40 2.28 2vy6A1 GLN 614 HG3 0.01 0.01 -0.08 -0.04 2.39 2.29 2vy6A1 GLN 614 HE21 -0.04 0.46 0.15 -0.04 6.97 7.50 2vy6A1 GLN 614 HE22 -0.03 0.48 0.11 -0.04 7.69 8.21 2vy6A1 ILE 615 H -0.32 0.46 -0.10 -0.55 8.25 7.75 2vy6A1 ILE 615 HA -0.09 0.07 0.46 -0.75 4.18 3.87 2vy6A1 ILE 615 HB -0.39 0.05 0.12 -0.04 1.89 1.63 2vy6A1 ILE 615 HG12 -1.26 0.02 -0.00 -0.04 1.49 0.22 2vy6A1 ILE 615 HG13 -0.69 0.14 0.09 -0.04 1.21 0.70 2vy6A1 ILE 615 HG23 -0.78 -0.00 -0.15 -0.04 0.93 -0.04 2vy6A1 ILE 615 HD13 -1.66 -0.04 -0.10 -0.04 0.88 -0.95 2vy6A1 ILE 616 H -0.31 0.59 -0.04 -0.55 8.25 7.94 2vy6A1 ILE 616 HA 0.05 0.02 0.23 -0.75 4.18 3.72 2vy6A1 ILE 616 HB -0.11 0.00 0.08 -0.04 1.89 1.81 2vy6A1 ILE 616 HG12 -0.63 -0.01 -0.07 -0.04 1.49 0.74 2vy6A1 ILE 616 HG13 -0.93 0.22 0.04 -0.04 1.21 0.51 2vy6A1 ILE 616 HG23 0.25 -0.01 -0.20 -0.04 0.93 0.93 2vy6A1 ILE 616 HD13 -0.75 -0.03 -0.12 -0.04 0.88 -0.06 2vy6A1 LYS 617 H -0.16 0.60 -0.16 -0.55 8.42 8.15 2vy6A1 LYS 617 HA -0.23 -0.03 0.39 -0.75 4.32 3.69 2vy6A1 LYS 617 HB2 -1.28 -0.05 0.07 -0.04 1.87 0.58 2vy6A1 LYS 617 HB3 -0.35 0.09 0.16 -0.04 1.79 1.64 2vy6A1 LYS 617 HG2 -0.26 0.03 -0.33 -0.04 1.46 0.85 2vy6A1 LYS 617 HG3 -0.77 -0.11 -0.06 -0.04 1.46 0.47 2vy6A1 LYS 617 HD2 -0.34 0.08 -0.10 -0.04 1.69 1.29 2vy6A1 LYS 617 HD3 -0.99 -0.13 -0.07 -0.04 1.68 0.44 2vy6A1 LYS 617 HE2 -0.28 -0.12 0.00 -0.04 2.99 2.55 2vy6A1 LYS 617 HE3 -0.18 0.06 0.02 -0.04 2.99 2.85 2vy6A1 LEU 618 H 0.06 0.53 -0.18 -0.55 8.37 8.24 2vy6A1 LEU 618 HA 0.22 0.06 0.43 -0.75 4.35 4.30 2vy6A1 LEU 618 HB2 0.22 0.12 0.08 -0.04 1.64 2.02 2vy6A1 LEU 618 HB3 -0.13 -0.10 0.03 -0.04 1.64 1.40 2vy6A1 LEU 618 HG -0.04 0.08 0.07 -0.04 1.64 1.70 2vy6A1 LEU 618 HD13 -0.09 -0.00 0.00 -0.04 0.93 0.79 2vy6A1 LEU 618 HD23 -0.10 -0.02 -0.10 -0.04 0.89 0.63 2vy6A1 LEU 619 H 0.22 0.39 -0.28 -0.55 8.37 8.14 2vy6A1 LEU 619 HA 0.40 -0.03 0.22 -0.75 4.35 4.18 2vy6A1 LEU 619 HB2 0.22 0.16 0.05 -0.04 1.64 2.02 2vy6A1 LEU 619 HB3 0.09 0.10 0.03 -0.04 1.64 1.82 2vy6A1 LEU 619 HG -0.31 0.00 -0.33 -0.04 1.64 0.96 2vy6A1 LEU 619 HD13 0.41 -0.02 -0.07 -0.04 0.93 1.20 2vy6A1 LEU 619 HD23 0.44 -0.02 -0.12 -0.04 0.89 1.16 2vy6A1 PRO 620 HA -0.99 0.08 0.50 -0.51 4.44 3.53 2vy6A1 PRO 620 HB2 -2.58 0.03 -0.04 -0.04 2.28 -0.36 2vy6A1 PRO 620 HB3 -1.42 -0.04 0.07 -0.04 2.02 0.58 2vy6A1 PRO 620 HG2 -1.16 0.02 -0.02 -0.04 2.03 0.83 2vy6A1 PRO 620 HG3 -0.43 0.00 -0.02 -0.04 2.03 1.54 2vy6A1 PRO 620 HD2 -0.24 0.29 -0.27 -0.04 3.68 3.42 2vy6A1 PRO 620 HD3 -0.11 0.18 -0.01 -0.04 3.65 3.67 2vy6A1 PHE 621 H -0.21 0.42 -0.32 -0.55 8.34 7.68 2vy6A1 PHE 621 HA 0.00 0.03 0.42 -0.75 4.62 4.32 2vy6A1 PHE 621 HB2 -0.14 0.22 0.03 -0.04 3.15 3.22 2vy6A1 PHE 621 HB3 -0.06 -0.09 -0.08 -0.04 3.06 2.79 2vy6A1 PHE 621 HD2 0.08 0.06 0.00 -0.04 7.28 7.37 2vy6A1 PHE 621 HE2 0.19 0.08 -0.13 -0.04 7.38 7.47 2vy6A1 PHE 621 HZ 0.16 -0.02 -0.27 -0.04 7.32 7.16 2vy6A1 ALA 622 H -0.15 0.43 -0.29 -0.55 8.40 7.84 2vy6A1 ALA 622 HA -0.22 0.04 0.66 -0.75 4.34 4.07 2vy6A1 ALA 622 HB3 -0.58 0.00 0.02 -0.04 1.41 0.82 2vy6A1 ALA 623 H -0.18 0.32 -0.47 -0.55 8.40 7.53 2vy6A1 ALA 623 HA 0.03 0.19 0.34 -0.75 4.34 4.15 2vy6A1 ALA 623 HB3 -0.03 -0.03 0.08 -0.04 1.41 1.40 2vy6A1 ALA 624 H 0.00 0.14 -0.38 -0.55 8.40 7.61 2vy6A1 ALA 624 HA 0.04 0.09 0.64 -0.75 4.34 4.35 2vy6A1 ALA 624 HB3 0.04 -0.01 -0.13 -0.04 1.41 1.27 2vy6A1 PRO 625 HA 0.03 0.13 0.50 -0.51 4.44 4.60 2vy6A1 PRO 625 HB2 0.02 -0.05 0.03 -0.04 2.28 2.24 2vy6A1 PRO 625 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 2vy6A1 PRO 625 HG2 0.02 -0.03 0.07 -0.04 2.03 2.05 2vy6A1 PRO 625 HG3 0.03 0.06 0.06 -0.04 2.03 2.14 2vy6A1 PRO 625 HD2 0.02 -0.00 0.15 -0.04 3.68 3.81 2vy6A1 PRO 625 HD3 0.03 0.20 0.19 -0.04 3.65 4.03 2vy6A1 PRO 626 HA 0.02 0.14 0.35 -0.51 4.44 4.43 2vy6A1 PRO 626 HB2 0.02 -0.05 -0.13 -0.04 2.28 2.08 2vy6A1 PRO 626 HB3 -0.00 0.09 -0.11 -0.04 2.02 1.96 2vy6A1 PRO 626 HG2 0.03 -0.05 0.08 -0.04 2.03 2.05 2vy6A1 PRO 626 HG3 0.03 0.05 0.04 -0.04 2.03 2.10 2vy6A1 PRO 626 HD2 0.03 0.00 0.17 -0.04 3.68 3.84 2vy6A1 PRO 626 HD3 0.03 0.28 0.22 -0.04 3.65 4.13 2vy6A1 LYS 627 H 0.03 0.58 0.08 -0.55 8.42 8.55 2vy6A1 LYS 627 HA 0.03 0.13 0.84 -0.75 4.32 4.56 2vy6A1 LYS 627 HB2 0.02 -0.16 -0.17 -0.04 1.87 1.52 2vy6A1 LYS 627 HB3 0.02 0.05 -0.02 -0.04 1.79 1.79 2vy6A1 LYS 627 HG2 0.01 0.03 -0.06 -0.04 1.46 1.41 2vy6A1 LYS 627 HG3 0.02 0.11 -0.40 -0.04 1.46 1.14 2vy6A1 LYS 627 HD2 0.00 -0.10 -0.03 -0.04 1.69 1.52 2vy6A1 LYS 627 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2vy6A1 LYS 627 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 2vy6A1 LYS 627 HE3 0.01 0.05 -0.06 -0.04 2.99 2.95 2vy6A1 GLN 628 H 0.03 0.12 0.11 -0.55 8.47 8.19 2vy6A1 GLN 628 HA 0.07 0.13 0.58 -0.75 4.36 4.40 2vy6A1 GLN 628 HB2 0.03 -0.04 0.08 -0.04 2.15 2.18 2vy6A1 GLN 628 HB3 0.04 0.06 0.03 -0.04 2.02 2.11 2vy6A1 GLN 628 HG2 0.03 -0.00 -0.05 -0.04 2.40 2.34 2vy6A1 GLN 628 HG3 0.03 0.01 -0.02 -0.04 2.39 2.37 2vy6A1 GLN 628 HE21 0.06 0.07 -0.06 -0.04 6.97 7.00 2vy6A1 GLN 628 HE22 0.06 0.02 0.03 -0.04 7.69 7.75 2vy6A1 SER 629 H 0.09 0.39 0.27 -0.55 8.46 8.67 2vy6A1 SER 629 HA 0.04 0.10 0.34 -0.75 4.49 4.22 2vy6A1 SER 629 HB2 0.03 -0.13 0.22 -0.04 3.95 4.03 2vy6A1 SER 629 HB3 0.06 0.17 0.02 -0.04 3.93 4.14 2vy6A1 ARG 630 H 0.01 0.13 0.15 -0.55 8.46 8.20 2vy6A1 ARG 630 HA 0.05 0.24 0.84 -0.75 4.34 4.71 2vy6A1 ARG 630 HB2 -0.00 -0.04 0.06 -0.04 1.90 1.88 2vy6A1 ARG 630 HB3 0.02 0.05 0.14 -0.04 1.80 1.96 2vy6A1 ARG 630 HG2 0.02 0.07 -0.00 -0.04 1.67 1.72 2vy6A1 ARG 630 HG3 0.02 -0.08 -0.12 -0.04 1.67 1.45 2vy6A1 ARG 630 HD2 0.01 0.03 0.01 -0.04 3.22 3.23 2vy6A1 ARG 630 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2vy6A1 MET 631 H -0.04 -0.06 -0.09 -0.55 8.47 7.74 2vy6A1 MET 631 HA -0.20 0.04 0.31 -0.75 4.52 3.92 2vy6A1 MET 631 HB2 -0.18 -0.06 0.08 -0.04 2.15 1.95 2vy6A1 MET 631 HB3 -0.50 0.03 -0.07 -0.04 2.03 1.44 2vy6A1 MET 631 HG2 -1.17 0.05 -0.23 -0.04 2.63 1.24 2vy6A1 MET 631 HG3 -0.41 -0.04 0.06 -0.04 2.56 2.13 2vy6A1 MET 631 HE3 0.05 0.00 -0.04 -0.04 2.10 2.07 2vy6A1 GLN 632 H -0.32 0.12 0.18 -0.55 8.47 7.90 2vy6A1 GLN 632 HA -0.19 0.17 0.87 -0.75 4.36 4.46 2vy6A1 GLN 632 HB2 -0.16 -0.08 0.04 -0.04 2.15 1.91 2vy6A1 GLN 632 HB3 -0.07 0.01 -0.03 -0.04 2.02 1.89 2vy6A1 GLN 632 HG2 -0.03 0.08 -0.07 -0.04 2.40 2.33 2vy6A1 GLN 632 HG3 -0.07 0.07 0.00 -0.04 2.39 2.35 2vy6A1 GLN 632 HE21 0.32 0.53 0.11 -0.04 6.97 7.89 2vy6A1 GLN 632 HE22 0.21 -0.01 -0.03 -0.04 7.69 7.83 2vy6A1 PHE 633 H -0.63 0.29 0.14 -0.55 8.34 7.59 2vy6A1 PHE 633 HA -0.24 0.08 0.92 -0.75 4.62 4.62 2vy6A1 PHE 633 HB2 -0.96 0.06 0.07 -0.04 3.15 2.28 2vy6A1 PHE 633 HB3 -0.38 0.13 0.01 -0.04 3.06 2.77 2vy6A1 PHE 633 HD2 -1.02 0.03 -0.01 -0.04 7.28 6.23 2vy6A1 PHE 633 HE2 -0.08 0.03 -0.11 -0.04 7.38 7.18 2vy6A1 PHE 633 HZ -0.04 -0.04 -0.13 -0.04 7.32 7.06 2vy6A1 SER 634 H -0.03 0.13 0.17 -0.55 8.46 8.18 2vy6A1 SER 634 HA 0.00 0.29 1.07 -0.75 4.49 5.09 2vy6A1 SER 634 HB2 -0.02 0.05 0.18 -0.04 3.95 4.12 2vy6A1 SER 634 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2vy6A1 SER 635 H -0.01 0.15 0.11 -0.55 8.46 8.16 2vy6A1 SER 635 HA -0.10 0.24 0.49 -0.75 4.49 4.36 2vy6A1 SER 635 HB2 -0.04 -0.04 -0.16 -0.04 3.95 3.67 2vy6A1 SER 635 HB3 -0.02 0.02 -0.22 -0.04 3.93 3.66 2vy6A1 LEU 636 H -0.23 0.67 0.18 -0.55 8.37 8.45 2vy6A1 LEU 636 HA -0.90 0.10 0.88 -0.75 4.35 3.67 2vy6A1 LEU 636 HB2 -0.90 0.05 0.10 -0.04 1.64 0.85 2vy6A1 LEU 636 HB3 -1.91 0.05 -0.02 -0.04 1.64 -0.28 2vy6A1 LEU 636 HG -0.60 -0.05 -0.30 -0.04 1.64 0.65 2vy6A1 LEU 636 HD13 -1.02 0.02 -0.07 -0.04 0.93 -0.18 2vy6A1 LEU 636 HD23 -1.36 0.03 -0.07 -0.04 0.89 -0.55 2vy6A1 THR 637 H 0.16 0.14 0.11 -0.55 8.28 8.15 2vy6A1 THR 637 HA 0.09 0.38 0.74 -0.75 4.39 4.84 2vy6A1 THR 637 HB 0.20 -0.04 0.07 -0.04 4.32 4.51 2vy6A1 THR 637 HG23 0.08 -0.01 -0.24 -0.04 1.22 1.00 2vy6A1 VAL 638 H 0.11 0.50 0.33 -0.55 8.24 8.63 2vy6A1 VAL 638 HA 0.05 0.26 0.54 -0.75 4.13 4.23 2vy6A1 VAL 638 HB -0.19 0.02 -0.05 -0.04 2.12 1.86 2vy6A1 VAL 638 HG13 -0.35 0.01 -0.15 -0.04 0.97 0.44 2vy6A1 VAL 638 HG23 0.02 -0.02 -0.05 -0.04 0.95 0.86 2vy6A1 ASN 639 H -0.03 0.87 0.26 -0.55 8.53 9.08 2vy6A1 ASN 639 HA 0.01 0.21 0.82 -0.75 4.76 5.04 2vy6A1 ASN 639 HB2 -0.02 0.10 0.20 -0.04 2.88 3.13 2vy6A1 ASN 639 HB3 -0.01 -0.15 -0.08 -0.04 2.79 2.52 2vy6A1 ASN 639 HD21 -0.00 -0.12 -0.06 -0.04 7.03 6.81 2vy6A1 ASN 639 HD22 -0.01 0.07 -0.10 -0.04 7.74 7.67 2vy6A1 VAL 640 H 0.00 0.79 0.25 -0.55 8.24 8.73 2vy6A1 VAL 640 HA -0.01 0.07 0.83 -0.75 4.13 4.26 2vy6A1 VAL 640 HB 0.01 0.03 0.13 -0.04 2.12 2.25 2vy6A1 VAL 640 HG13 0.01 -0.02 -0.06 -0.04 0.97 0.85 2vy6A1 VAL 640 HG23 -0.01 0.02 -0.25 -0.04 0.95 0.68 2vy6A1 ARG 641 H -0.01 0.19 0.09 -0.55 8.46 8.18 2vy6A1 ARG 641 HA -0.00 0.05 0.35 -0.75 4.34 3.98 2vy6A1 ARG 641 HB2 0.00 0.12 -0.11 -0.04 1.90 1.87 2vy6A1 ARG 641 HB3 0.00 0.04 0.19 -0.04 1.80 1.99 2vy6A1 ARG 641 HG2 -0.00 0.03 0.08 -0.04 1.67 1.74 2vy6A1 ARG 641 HG3 0.00 -0.10 -0.04 -0.04 1.67 1.49 2vy6A1 ARG 641 HD2 0.00 0.03 -0.03 -0.04 3.22 3.19 2vy6A1 ARG 641 HD3 0.00 0.03 0.02 -0.04 3.22 3.23 2vy6A1 GLY 642 H -0.00 0.09 -0.20 -0.55 8.43 7.77 2vy6A1 GLY 642 HA2 0.00 -0.01 0.28 -0.51 4.01 3.77 2vy6A1 GLY 642 HA3 0.00 0.12 0.53 -0.51 4.01 4.16 2vy6A1 SER 643 H 0.00 0.57 -0.51 -0.55 8.46 7.98 2vy6A1 SER 643 HA 0.01 0.08 0.65 -0.75 4.49 4.48 2vy6A1 SER 643 HB2 0.01 0.23 0.15 -0.04 3.95 4.30 2vy6A1 SER 643 HB3 0.01 -0.04 -0.10 -0.04 3.93 3.76 2vy6A1 GLY 644 H 0.02 0.17 0.14 -0.55 8.43 8.21 2vy6A1 GLY 644 HA2 0.03 0.18 0.75 -0.51 4.01 4.46 2vy6A1 GLY 644 HA3 0.03 -0.01 0.29 -0.51 4.01 3.81 2vy6A1 MET 645 H 0.04 0.88 0.35 -0.55 8.47 9.19 2vy6A1 MET 645 HA 0.03 0.05 0.61 -0.75 4.52 4.46 2vy6A1 MET 645 HB2 0.05 -0.00 0.11 -0.04 2.15 2.26 2vy6A1 MET 645 HB3 0.05 -0.05 -0.02 -0.04 2.03 1.98 2vy6A1 MET 645 HG2 0.02 0.08 -0.02 -0.04 2.63 2.67 2vy6A1 MET 645 HG3 0.02 -0.03 -0.05 -0.04 2.56 2.46 2vy6A1 MET 645 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.03 2vy6A1 ARG 646 H 0.04 0.13 0.16 -0.55 8.46 8.24 2vy6A1 ARG 646 HA 0.03 0.17 0.51 -0.75 4.34 4.30 2vy6A1 ARG 646 HB2 0.02 -0.04 0.15 -0.04 1.90 2.00 2vy6A1 ARG 646 HB3 0.01 0.01 -0.11 -0.04 1.80 1.66 2vy6A1 ARG 646 HG2 0.01 -0.01 -0.15 -0.04 1.67 1.49 2vy6A1 ARG 646 HG3 0.03 0.03 -0.23 -0.04 1.67 1.46 2vy6A1 ARG 646 HD2 0.02 0.01 -0.04 -0.04 3.22 3.17 2vy6A1 ARG 646 HD3 0.02 0.00 0.03 -0.04 3.22 3.23 2vy6A1 ILE 647 H 0.04 0.90 0.30 -0.55 8.25 8.93 2vy6A1 ILE 647 HA 0.08 0.02 0.87 -0.75 4.18 4.39 2vy6A1 ILE 647 HB 0.11 0.07 0.17 -0.04 1.89 2.20 2vy6A1 ILE 647 HG12 0.23 -0.09 -0.04 -0.04 1.49 1.55 2vy6A1 ILE 647 HG13 0.21 -0.07 -0.15 -0.04 1.21 1.16 2vy6A1 ILE 647 HG23 0.05 0.04 -0.17 -0.04 0.93 0.81 2vy6A1 ILE 647 HD13 0.62 0.03 -0.08 -0.04 0.88 1.40 2vy6A1 LEU 648 H 0.02 0.12 -0.10 -0.55 8.37 7.87 2vy6A1 LEU 648 HA -0.04 0.07 0.62 -0.75 4.35 4.25 2vy6A1 LEU 648 HB2 0.01 0.11 -0.18 -0.04 1.64 1.55 2vy6A1 LEU 648 HB3 -0.01 0.09 -0.04 -0.04 1.64 1.64 2vy6A1 LEU 648 HG 0.01 -0.09 -0.03 -0.04 1.64 1.50 2vy6A1 LEU 648 HD13 0.01 0.06 0.02 -0.04 0.93 0.98 2vy6A1 LEU 648 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.79 2vy6A1 VAL 649 H -0.05 0.43 0.12 -0.55 8.24 8.19 2vy6A1 VAL 649 HA -0.08 0.07 0.36 -0.75 4.13 3.73 2vy6A1 VAL 649 HB 0.02 -0.02 0.13 -0.04 2.12 2.21 2vy6A1 VAL 649 HG13 0.05 0.02 0.02 -0.04 0.97 1.02 2vy6A1 VAL 649 HG23 -0.00 0.02 -0.24 -0.04 0.95 0.68 2vy6A1 ARG 650 H -0.01 0.14 -0.05 -0.55 8.46 7.98 2vy6A1 ARG 650 HA -0.02 0.12 0.88 -0.75 4.34 4.57 2vy6A1 ARG 650 HB2 -0.00 0.01 -0.03 -0.04 1.90 1.83 2vy6A1 ARG 650 HB3 -0.00 0.01 0.04 -0.04 1.80 1.81 2vy6A1 ARG 650 HG2 0.00 -0.03 -0.19 -0.04 1.67 1.41 2vy6A1 ARG 650 HG3 -0.00 0.01 -0.01 -0.04 1.67 1.62 2vy6A1 ARG 650 HD2 -0.00 -0.00 -0.09 -0.04 3.22 3.09 2vy6A1 ARG 650 HD3 -0.00 -0.00 -0.12 -0.04 3.22 3.05 2vy6A1 GLY 651 H -0.00 0.11 0.03 -0.55 8.43 8.02 2vy6A1 GLY 651 HA2 0.04 -0.06 0.30 -0.51 4.01 3.79 2vy6A1 GLY 651 HA3 0.03 0.07 0.46 -0.51 4.01 4.06 2vy6A1 ASN 652 H 0.06 0.02 0.18 -0.55 8.53 8.24 2vy6A1 ASN 652 HA 0.16 0.28 0.63 -0.75 4.76 5.09 2vy6A1 ASN 652 HB2 0.05 -0.05 0.13 -0.04 2.88 2.96 2vy6A1 ASN 652 HB3 0.05 0.05 0.16 -0.04 2.79 3.01 2vy6A1 ASN 652 HD21 0.05 0.35 0.16 -0.04 7.03 7.54 2vy6A1 ASN 652 HD22 0.03 -0.03 0.06 -0.04 7.74 7.76 2vy6A1 SER 653 H 0.10 0.63 0.30 -0.55 8.46 8.95 2vy6A1 SER 653 HA 0.04 0.13 0.71 -0.75 4.49 4.61 2vy6A1 SER 653 HB2 0.05 0.10 0.23 -0.04 3.95 4.29 2vy6A1 SER 653 HB3 0.06 0.06 -0.19 -0.04 3.93 3.81 2vy6A1 PRO 654 HA 0.02 0.10 0.38 -0.51 4.44 4.43 2vy6A1 PRO 654 HB2 0.03 0.03 0.03 -0.04 2.28 2.33 2vy6A1 PRO 654 HB3 0.02 0.03 0.11 -0.04 2.02 2.14 2vy6A1 PRO 654 HG2 0.04 0.01 0.13 -0.04 2.03 2.18 2vy6A1 PRO 654 HG3 0.03 0.05 0.13 -0.04 2.03 2.19 2vy6A1 PRO 654 HD2 0.04 0.29 0.32 -0.04 3.68 4.29 2vy6A1 PRO 654 HD3 0.03 0.13 0.24 -0.04 3.65 4.00 2vy6A1 VAL 655 H 0.07 0.19 -0.12 -0.55 8.24 7.83 2vy6A1 VAL 655 HA 0.07 0.01 0.53 -0.75 4.13 3.98 2vy6A1 VAL 655 HB 0.14 0.05 0.02 -0.04 2.12 2.29 2vy6A1 VAL 655 HG13 0.19 0.02 -0.16 -0.04 0.97 0.97 2vy6A1 VAL 655 HG23 0.08 -0.00 -0.12 -0.04 0.95 0.86 2vy6A1 PHE 656 H 0.16 0.06 -0.18 -0.55 8.34 7.83 2vy6A1 PHE 656 HA -0.11 0.23 0.87 -0.75 4.62 4.85 2vy6A1 PHE 656 HB2 -0.09 0.01 -0.07 -0.04 3.15 2.96 2vy6A1 PHE 656 HB3 -0.04 -0.00 0.17 -0.04 3.06 3.15 2vy6A1 PHE 656 HD2 -0.45 -0.02 -0.16 -0.04 7.28 6.61 2vy6A1 PHE 656 HE2 -0.33 -0.02 -0.17 -0.04 7.38 6.82 2vy6A1 PHE 656 HZ -0.21 -0.03 -0.09 -0.04 7.32 6.96 2vy6A1 ASN 657 H -0.28 0.73 0.24 -0.55 8.53 8.68 2vy6A1 ASN 657 HA 0.01 0.06 1.05 -0.75 4.76 5.13 2vy6A1 ASN 657 HB2 -0.03 0.15 -0.08 -0.04 2.88 2.88 2vy6A1 ASN 657 HB3 -0.08 -0.04 0.10 -0.04 2.79 2.72 2vy6A1 ASN 657 HD21 -0.01 -0.03 -0.06 -0.04 7.03 6.88 2vy6A1 ASN 657 HD22 -0.00 0.07 -0.06 -0.04 7.74 7.71 2vy6A1 TYR 658 H 0.09 0.19 0.10 -0.55 8.29 8.12 2vy6A1 TYR 658 HA -0.19 0.30 1.03 -0.75 4.56 4.95 2vy6A1 TYR 658 HB2 -0.14 0.04 -0.13 -0.04 3.06 2.80 2vy6A1 TYR 658 HB3 0.01 -0.04 0.02 -0.04 2.98 2.93 2vy6A1 TYR 658 HD2 -0.09 -0.02 -0.28 -0.04 7.15 6.73 2vy6A1 TYR 658 HE2 -0.06 0.06 -0.17 -0.04 6.85 6.63 2vy6A1 ASN 659 H -0.51 0.84 0.21 -0.55 8.53 8.52 2vy6A1 ASN 659 HA -0.23 0.11 0.80 -0.75 4.76 4.69 2vy6A1 ASN 659 HB2 -0.19 0.12 0.07 -0.04 2.88 2.85 2vy6A1 ASN 659 HB3 -0.28 -0.13 0.24 -0.04 2.79 2.58 2vy6A1 ASN 659 HD21 -0.08 0.03 0.02 -0.04 7.03 6.97 2vy6A1 ASN 659 HD22 -0.10 0.09 0.00 -0.04 7.74 7.69 2vy6A1 LYS 660 H -0.18 0.24 0.13 -0.55 8.42 8.06 2vy6A1 LYS 660 HA -0.20 0.12 0.30 -0.75 4.32 3.78 2vy6A1 LYS 660 HB2 -0.02 -0.00 0.04 -0.04 1.87 1.84 2vy6A1 LYS 660 HB3 0.05 0.06 0.06 -0.04 1.79 1.93 2vy6A1 LYS 660 HG2 0.16 0.00 -0.04 -0.04 1.46 1.55 2vy6A1 LYS 660 HG3 0.03 0.01 0.08 -0.04 1.46 1.53 2vy6A1 LYS 660 HD2 0.06 0.02 0.00 -0.04 1.69 1.73 2vy6A1 LYS 660 HD3 0.13 0.00 -0.01 -0.04 1.68 1.77 2vy6A1 LYS 660 HE2 0.07 -0.00 0.02 -0.04 2.99 3.04 2vy6A1 LYS 660 HE3 0.04 0.01 0.00 -0.04 2.99 3.01 2vy6A1 THR 661 H -0.13 -0.02 -0.22 -0.55 8.28 7.36 2vy6A1 THR 661 HA -0.04 0.21 0.56 -0.75 4.39 4.37 2vy6A1 THR 661 HB -0.04 0.07 0.04 -0.04 4.32 4.35 2vy6A1 THR 661 HG23 -0.04 -0.00 0.01 -0.04 1.22 1.14 2vy6A1 THR 662 H -0.13 -0.02 -0.02 -0.55 8.28 7.55 2vy6A1 THR 662 HA -0.06 0.18 0.48 -0.75 4.39 4.24 2vy6A1 THR 662 HB -0.07 0.06 0.09 -0.04 4.32 4.35 2vy6A1 THR 662 HG23 -0.06 0.00 0.01 -0.04 1.22 1.13 2vy6A1 LYS 663 H -0.25 0.24 -0.34 -0.55 8.42 7.51 2vy6A1 LYS 663 HA -0.24 0.06 0.23 -0.75 4.32 3.62 2vy6A1 LYS 663 HB2 -0.02 0.19 -0.30 -0.04 1.87 1.70 2vy6A1 LYS 663 HB3 0.04 -0.16 0.31 -0.04 1.79 1.93 2vy6A1 LYS 663 HG2 0.05 0.11 0.03 -0.04 1.46 1.61 2vy6A1 LYS 663 HG3 0.16 -0.10 0.01 -0.04 1.46 1.50 2vy6A1 LYS 663 HD2 -0.02 0.09 -0.25 -0.04 1.69 1.47 2vy6A1 LYS 663 HD3 -0.00 0.03 -0.17 -0.04 1.68 1.50 2vy6A1 LYS 663 HE2 0.05 -0.08 -0.01 -0.04 2.99 2.90 2vy6A1 LYS 663 HE3 0.09 -0.07 0.00 -0.04 2.99 2.98 2vy6A1 ARG 664 H -0.23 -0.07 -0.30 -0.55 8.46 7.31 2vy6A1 ARG 664 HA -0.06 0.21 0.62 -0.75 4.34 4.35 2vy6A1 ARG 664 HB2 -0.08 0.05 -0.06 -0.04 1.90 1.76 2vy6A1 ARG 664 HB3 -0.13 -0.11 0.03 -0.04 1.80 1.54 2vy6A1 ARG 664 HG2 -0.08 0.07 -0.48 -0.04 1.67 1.14 2vy6A1 ARG 664 HG3 -0.05 -0.01 -0.11 -0.04 1.67 1.46 2vy6A1 ARG 664 HD2 -0.07 -0.02 -0.19 -0.04 3.22 2.89 2vy6A1 ARG 664 HD3 -0.05 -0.01 -0.11 -0.04 3.22 3.02 2vy6A1 LEU 665 H -0.03 0.71 0.33 -0.55 8.37 8.84 2vy6A1 LEU 665 HA -0.12 0.18 0.96 -0.75 4.35 4.61 2vy6A1 LEU 665 HB2 -0.05 -0.03 -0.01 -0.04 1.64 1.51 2vy6A1 LEU 665 HB3 -0.07 0.05 0.07 -0.04 1.64 1.65 2vy6A1 LEU 665 HG -0.31 -0.02 -0.40 -0.04 1.64 0.86 2vy6A1 LEU 665 HD13 -1.25 0.03 -0.18 -0.04 0.93 -0.52 2vy6A1 LEU 665 HD23 -0.16 0.01 -0.15 -0.04 0.89 0.55 2vy6A1 THR 666 H -0.18 0.80 0.31 -0.55 8.28 8.66 2vy6A1 THR 666 HA -0.07 0.24 0.94 -0.75 4.39 4.74 2vy6A1 THR 666 HB -0.09 -0.01 0.03 -0.04 4.32 4.21 2vy6A1 THR 666 HG23 -0.04 -0.01 -0.49 -0.04 1.22 0.64 2vy6A1 ILE 667 H -0.03 0.83 0.17 -0.55 8.25 8.66 2vy6A1 ILE 667 HA -0.06 0.46 1.09 -0.75 4.18 4.91 2vy6A1 ILE 667 HB 0.06 -0.01 0.11 -0.04 1.89 2.01 2vy6A1 ILE 667 HG12 -0.10 -0.09 -0.37 -0.04 1.49 0.89 2vy6A1 ILE 667 HG13 0.14 0.03 -0.06 -0.04 1.21 1.28 2vy6A1 ILE 667 HG23 0.17 0.02 -0.19 -0.04 0.93 0.89 2vy6A1 ILE 667 HD13 -0.44 0.03 -0.05 -0.04 0.88 0.37 2vy6A1 LEU 668 H 0.02 0.46 0.25 -0.55 8.37 8.54 2vy6A1 LEU 668 HA 0.02 0.15 0.37 -0.75 4.35 4.13 2vy6A1 LEU 668 HB2 0.04 0.10 0.00 -0.04 1.64 1.74 2vy6A1 LEU 668 HB3 0.03 -0.04 0.23 -0.04 1.64 1.82 2vy6A1 LEU 668 HG 0.06 0.03 0.00 -0.04 1.64 1.70 2vy6A1 LEU 668 HD13 0.04 -0.00 -0.01 -0.04 0.93 0.92 2vy6A1 LEU 668 HD23 0.04 0.03 -0.07 -0.04 0.89 0.85 2vy6A1 GLY 669 H -0.01 0.11 -0.36 -0.55 8.43 7.63 2vy6A1 GLY 669 HA2 -0.01 -0.03 0.24 -0.51 4.01 3.70 2vy6A1 GLY 669 HA3 0.00 0.14 0.46 -0.51 4.01 4.09 2vy6A1 LYS 670 H 0.01 0.62 -0.43 -0.55 8.42 8.07 2vy6A1 LYS 670 HA 0.00 0.07 0.66 -0.75 4.32 4.29 2vy6A1 LYS 670 HB2 0.03 0.06 0.06 -0.04 1.87 1.98 2vy6A1 LYS 670 HB3 0.02 0.02 0.04 -0.04 1.79 1.83 2vy6A1 LYS 670 HG2 0.02 0.18 0.02 -0.04 1.46 1.64 2vy6A1 LYS 670 HG3 0.03 -0.03 0.00 -0.04 1.46 1.41 2vy6A1 LYS 670 HD2 0.01 0.00 -0.11 -0.04 1.69 1.55 2vy6A1 LYS 670 HD3 0.01 0.02 -0.13 -0.04 1.68 1.54 2vy6A1 LYS 670 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2vy6A1 LYS 670 HE3 0.02 0.01 -0.00 -0.04 2.99 2.97 2vy6A1 ASP 671 H -0.00 0.11 0.18 -0.55 8.40 8.15 2vy6A1 ASP 671 HA -0.03 0.10 0.57 -0.75 4.63 4.52 2vy6A1 ASP 671 HB2 -0.02 0.00 0.10 -0.04 2.71 2.76 2vy6A1 ASP 671 HB3 -0.00 0.00 0.19 -0.04 2.70 2.85 2vy6A1 ALA 672 H -0.03 0.88 0.49 -0.55 8.40 9.20 2vy6A1 ALA 672 HA 0.05 0.17 0.90 -0.75 4.34 4.71 2vy6A1 ALA 672 HB3 0.05 -0.01 -0.02 -0.04 1.41 1.38 2vy6A1 GLY 673 H -0.01 0.01 0.11 -0.55 8.43 7.99 2vy6A1 GLY 673 HA2 0.00 -0.03 0.26 -0.51 4.01 3.74 2vy6A1 GLY 673 HA3 0.01 0.25 0.75 -0.51 4.01 4.51 2vy6A1 THR 674 H 0.00 0.14 0.16 -0.55 8.28 8.02 2vy6A1 THR 674 HA 0.00 0.28 1.03 -0.75 4.39 4.95 2vy6A1 THR 674 HB -0.00 0.15 0.01 -0.04 4.32 4.43 2vy6A1 THR 674 HG23 -0.03 -0.04 -0.15 -0.04 1.22 0.97 2vy6A1 LEU 675 H 0.06 0.56 0.28 -0.55 8.37 8.73 2vy6A1 LEU 675 HA -0.05 0.10 0.73 -0.75 4.35 4.37 2vy6A1 LEU 675 HB2 0.13 0.04 0.14 -0.04 1.64 1.91 2vy6A1 LEU 675 HB3 -0.05 -0.00 -0.17 -0.04 1.64 1.37 2vy6A1 LEU 675 HG -0.13 0.02 -0.08 -0.04 1.64 1.40 2vy6A1 LEU 675 HD13 -0.41 -0.02 -0.12 -0.04 0.93 0.34 2vy6A1 LEU 675 HD23 -0.45 0.03 -0.02 -0.04 0.89 0.41 2vy6A1 ILE 676 H 0.03 0.18 0.15 -0.55 8.25 8.06 2vy6A1 ILE 676 HA 0.03 0.12 0.72 -0.75 4.18 4.30 2vy6A1 ILE 676 HB 0.08 0.01 0.13 -0.04 1.89 2.06 2vy6A1 ILE 676 HG12 0.03 0.01 -0.03 -0.04 1.49 1.45 2vy6A1 ILE 676 HG13 0.03 0.04 -0.14 -0.04 1.21 1.10 2vy6A1 ILE 676 HG23 0.05 -0.01 -0.09 -0.04 0.93 0.83 2vy6A1 ILE 676 HD13 0.03 0.00 0.00 -0.04 0.88 0.88 2vy6A1 GLU 677 H 0.04 0.17 0.06 -0.55 8.60 8.32 2vy6A1 GLU 677 HA 0.06 0.11 0.00 -0.75 4.29 3.70 2vy6A1 GLU 677 HB2 0.04 0.05 0.08 -0.04 2.09 2.22 2vy6A1 GLU 677 HB3 0.03 0.00 0.09 -0.04 1.99 2.07 2vy6A1 GLU 677 HG2 0.04 0.01 0.04 -0.04 2.34 2.39 2vy6A1 GLU 677 HG3 0.04 0.02 0.01 -0.04 2.34 2.37 2vy6A1 VAL 686 HA 0.02 0.17 0.27 -0.75 4.13 3.83 2vy6A1 VAL 686 HB 0.03 0.01 0.00 -0.04 2.12 2.12 2vy6A1 VAL 686 HG13 0.03 -0.02 -0.27 -0.04 0.97 0.66 2vy6A1 VAL 686 HG23 0.02 -0.02 0.05 -0.04 0.95 0.96 2vy6A1 GLU 687 H 0.02 0.45 0.21 -0.55 8.60 8.73 2vy6A1 GLU 687 HA 0.02 0.17 0.87 -0.75 4.29 4.60 2vy6A1 GLU 687 HB2 0.01 -0.10 0.19 -0.04 2.09 2.15 2vy6A1 GLU 687 HB3 0.01 -0.06 -0.01 -0.04 1.99 1.88 2vy6A1 GLU 687 HG2 0.00 0.06 -0.10 -0.04 2.34 2.26 2vy6A1 GLU 687 HG3 0.01 0.08 -0.18 -0.04 2.34 2.21 2vy6A1 SER 688 H 0.03 0.27 0.18 -0.55 8.46 8.39 2vy6A1 SER 688 HA 0.04 0.15 0.59 -0.75 4.49 4.51 2vy6A1 SER 688 HB2 0.07 0.00 -0.25 -0.04 3.95 3.74 2vy6A1 SER 688 HB3 0.06 0.04 -0.07 -0.04 3.93 3.92 2vy6A1 ALA 689 H 0.02 0.01 -0.12 -0.55 8.40 7.77 2vy6A1 ALA 689 HA -0.02 0.23 0.79 -0.75 4.34 4.59 2vy6A1 ALA 689 HB3 0.09 0.02 -0.06 -0.04 1.41 1.42 2vy6A1 VAL 690 H 0.01 0.11 -0.21 -0.55 8.24 7.60 2vy6A1 VAL 690 HA 0.00 0.27 0.85 -0.75 4.13 4.50 2vy6A1 VAL 690 HB 0.02 -0.03 -0.02 -0.04 2.12 2.04 2vy6A1 VAL 690 HG13 0.02 -0.01 -0.18 -0.04 0.97 0.76 2vy6A1 VAL 690 HG23 -0.00 -0.01 -0.22 -0.04 0.95 0.68 2vy6A1 LEU 691 H 0.05 0.13 0.02 -0.55 8.37 8.02 2vy6A1 LEU 691 HA 0.18 0.22 0.93 -0.75 4.35 4.93 2vy6A1 LEU 691 HB2 0.12 -0.03 -0.13 -0.04 1.64 1.56 2vy6A1 LEU 691 HB3 0.07 0.08 -0.20 -0.04 1.64 1.54 2vy6A1 LEU 691 HG -0.00 -0.08 -0.29 -0.04 1.64 1.23 2vy6A1 LEU 691 HD13 -0.23 -0.00 -0.20 -0.04 0.93 0.46 2vy6A1 LEU 691 HD23 -0.03 0.04 -0.09 -0.04 0.89 0.77 2vy6A1 ARG 692 H 0.28 0.16 0.07 -0.55 8.46 8.42 2vy6A1 ARG 692 HA 0.00 0.08 0.34 -0.75 4.34 4.00 2vy6A1 ARG 692 HB2 0.30 0.02 0.11 -0.04 1.90 2.29 2vy6A1 ARG 692 HB3 0.24 0.04 0.15 -0.04 1.80 2.18 2vy6A1 ARG 692 HG2 0.06 -0.03 -0.07 -0.04 1.67 1.59 2vy6A1 ARG 692 HG3 0.02 0.02 0.03 -0.04 1.67 1.70 2vy6A1 ARG 692 HD2 0.12 -0.01 -0.03 -0.04 3.22 3.26 2vy6A1 ARG 692 HD3 0.11 -0.03 0.00 -0.04 3.22 3.27 2vy6A1 GLY 693 H 0.05 0.24 0.26 -0.55 8.43 8.43 2vy6A1 GLY 693 HA2 -0.08 0.00 0.34 -0.51 4.01 3.77 2vy6A1 GLY 693 HA3 -0.10 0.16 0.62 -0.51 4.01 4.18 2vy6A1 PHE 694 H 0.20 0.37 -0.06 -0.55 8.34 8.30 2vy6A1 PHE 694 HA -0.00 0.24 1.01 -0.75 4.62 5.11 2vy6A1 PHE 694 HB2 0.00 -0.10 -0.23 -0.04 3.15 2.79 2vy6A1 PHE 694 HB3 -0.01 0.02 -0.15 -0.04 3.06 2.88 2vy6A1 PHE 694 HD2 0.00 -0.02 -0.58 -0.04 7.28 6.64 2vy6A1 PHE 694 HE2 0.00 0.04 -0.12 -0.04 7.38 7.26 2vy6A1 PHE 694 HZ -0.00 0.19 -0.09 -0.04 7.32 7.37 2vy6A1 LEU 695 H 0.11 0.56 0.30 -0.55 8.37 8.79 2vy6A1 LEU 695 HA 0.06 0.28 0.78 -0.75 4.35 4.72 2vy6A1 LEU 695 HB2 0.03 -0.07 -0.01 -0.04 1.64 1.55 2vy6A1 LEU 695 HB3 0.03 0.07 -0.16 -0.04 1.64 1.54 2vy6A1 LEU 695 HG 0.02 -0.05 -0.14 -0.04 1.64 1.42 2vy6A1 LEU 695 HD13 0.02 0.00 -0.10 -0.04 0.93 0.81 2vy6A1 LEU 695 HD23 0.03 0.05 -0.07 -0.04 0.89 0.87 2vy6A1 ILE 696 H 0.04 0.59 0.21 -0.55 8.25 8.54 2vy6A1 ILE 696 HA 0.02 0.17 0.89 -0.75 4.18 4.50 2vy6A1 ILE 696 HB 0.01 -0.07 0.23 -0.04 1.89 2.02 2vy6A1 ILE 696 HG12 0.00 0.03 -0.12 -0.04 1.49 1.36 2vy6A1 ILE 696 HG13 0.02 0.01 -0.04 -0.04 1.21 1.17 2vy6A1 ILE 696 HG23 -0.00 -0.00 -0.08 -0.04 0.93 0.81 2vy6A1 ILE 696 HD13 -0.00 -0.01 -0.09 -0.04 0.88 0.74 2vy6A1 LEU 697 H -0.01 0.53 0.25 -0.55 8.37 8.60 2vy6A1 LEU 697 HA 0.01 0.11 0.55 -0.75 4.35 4.26 2vy6A1 LEU 697 HB2 -0.04 0.01 -0.05 -0.04 1.64 1.52 2vy6A1 LEU 697 HB3 -0.02 -0.02 -0.03 -0.04 1.64 1.53 2vy6A1 LEU 697 HG -0.01 0.01 -0.17 -0.04 1.64 1.43 2vy6A1 LEU 697 HD13 -0.06 -0.00 -0.13 -0.04 0.93 0.70 2vy6A1 LEU 697 HD23 0.00 0.01 -0.15 -0.04 0.89 0.70 2vy6A1 GLY 698 H -0.01 0.30 0.13 -0.55 8.43 8.31 2vy6A1 GLY 698 HA2 0.01 0.05 0.27 -0.51 4.01 3.82 2vy6A1 GLY 698 HA3 0.01 0.13 0.58 -0.51 4.01 4.21 2vy6A1 LYS 699 H 0.01 0.13 0.14 -0.55 8.42 8.14 2vy6A1 LYS 699 HA 0.01 0.09 0.42 -0.75 4.32 4.08 2vy6A1 LYS 699 HB2 0.01 -0.03 0.20 -0.04 1.87 2.02 2vy6A1 LYS 699 HB3 0.01 -0.00 0.17 -0.04 1.79 1.93 2vy6A1 LYS 699 HG2 0.02 -0.05 0.05 -0.04 1.46 1.43 2vy6A1 LYS 699 HG3 0.02 0.19 -0.19 -0.04 1.46 1.44 2vy6A1 LYS 699 HD2 0.01 -0.01 0.04 -0.04 1.69 1.69 2vy6A1 LYS 699 HD3 0.01 -0.01 0.05 -0.04 1.68 1.69 2vy6A1 LYS 699 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 2vy6A1 LYS 699 HE3 0.02 0.03 -0.02 -0.04 2.99 2.99 2vy6A1 GLU 700 H 0.01 0.18 0.20 -0.55 8.60 8.45 2vy6A1 GLU 700 HA 0.02 -0.03 0.17 -0.75 4.29 3.70 2vy6A1 GLU 700 HB2 0.01 0.07 -0.05 -0.04 2.09 2.08 2vy6A1 GLU 700 HB3 0.02 -0.02 0.10 -0.04 1.99 2.05 2vy6A1 GLU 700 HG2 0.03 -0.10 -0.31 -0.04 2.34 1.92 2vy6A1 GLU 700 HG3 0.03 0.03 -0.19 -0.04 2.34 2.17 2vy6A1 ASP 701 H 0.07 0.19 0.01 -0.55 8.40 8.12 2vy6A1 ASP 701 HA 0.08 0.16 0.71 -0.75 4.63 4.83 2vy6A1 ASP 701 HB2 0.11 0.15 0.00 -0.04 2.71 2.93 2vy6A1 ASP 701 HB3 0.30 -0.01 0.16 -0.04 2.70 3.11 2vy6A1 ARG 702 H 0.05 0.24 -0.10 -0.55 8.46 8.10 2vy6A1 ARG 702 HA 0.05 0.14 0.35 -0.75 4.34 4.12 2vy6A1 ARG 702 HB2 0.02 -0.01 0.05 -0.04 1.90 1.92 2vy6A1 ARG 702 HB3 0.01 0.05 -0.12 -0.04 1.80 1.70 2vy6A1 ARG 702 HG2 0.02 0.03 0.01 -0.04 1.67 1.68 2vy6A1 ARG 702 HG3 0.02 -0.00 -0.00 -0.04 1.67 1.64 2vy6A1 ARG 702 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 2vy6A1 ARG 702 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2vy6A1 ARG 703 H 0.03 0.05 -0.48 -0.55 8.46 7.51 2vy6A1 ARG 703 HA -0.08 0.08 0.46 -0.75 4.34 4.04 2vy6A1 ARG 703 HB2 -0.24 0.00 -0.03 -0.04 1.90 1.59 2vy6A1 ARG 703 HB3 -0.32 0.05 -0.00 -0.04 1.80 1.48 2vy6A1 ARG 703 HG2 -0.07 0.02 0.01 -0.04 1.67 1.59 2vy6A1 ARG 703 HG3 -0.03 -0.09 -0.01 -0.04 1.67 1.50 2vy6A1 ARG 703 HD2 -0.10 0.03 -0.01 -0.04 3.22 3.10 2vy6A1 ARG 703 HD3 -0.03 -0.00 -0.01 -0.04 3.22 3.13 2vy6A1 TYR 704 H 0.18 0.51 -0.16 -0.55 8.29 8.27 2vy6A1 TYR 704 HA 0.01 0.15 0.73 -0.75 4.56 4.71 2vy6A1 TYR 704 HB2 0.01 -0.00 0.01 -0.04 3.06 3.03 2vy6A1 TYR 704 HB3 0.02 0.06 0.09 -0.04 2.98 3.10 2vy6A1 TYR 704 HD2 0.02 0.10 0.02 -0.04 7.15 7.24 2vy6A1 TYR 704 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.79 2vy6A1 GLY 705 H 0.05 0.31 -0.46 -0.55 8.43 7.78 2vy6A1 GLY 705 HA2 0.02 0.03 0.23 -0.51 4.01 3.78 2vy6A1 GLY 705 HA3 0.03 0.13 0.35 -0.51 4.01 4.02 2vy6A1 PRO 706 HA 0.01 -0.05 0.58 -0.51 4.44 4.47 2vy6A1 PRO 706 HB2 0.01 0.05 -0.05 -0.04 2.28 2.25 2vy6A1 PRO 706 HB3 0.01 0.00 0.05 -0.04 2.02 2.04 2vy6A1 PRO 706 HG2 0.01 0.04 0.07 -0.04 2.03 2.10 2vy6A1 PRO 706 HG3 0.01 0.01 0.07 -0.04 2.03 2.08 2vy6A1 PRO 706 HD2 0.02 0.16 0.21 -0.04 3.68 4.02 2vy6A1 PRO 706 HD3 0.01 0.09 0.13 -0.04 3.65 3.85 2vy6A1 ALA 707 H 0.01 0.04 0.09 -0.55 8.40 7.99 2vy6A1 ALA 707 HA 0.01 0.13 0.18 -0.75 4.34 3.90 2vy6A1 ALA 707 HB3 -0.00 -0.03 -0.13 -0.04 1.41 1.21 2vy6A1 LEU 708 H -0.01 0.68 0.27 -0.55 8.37 8.76 2vy6A1 LEU 708 HA -0.02 0.09 0.72 -0.75 4.35 4.38 2vy6A1 LEU 708 HB2 -0.04 0.04 0.02 -0.04 1.64 1.61 2vy6A1 LEU 708 HB3 -0.04 -0.03 0.03 -0.04 1.64 1.56 2vy6A1 LEU 708 HG -0.00 -0.03 0.01 -0.04 1.64 1.57 2vy6A1 LEU 708 HD13 0.01 0.02 -0.06 -0.04 0.93 0.87 2vy6A1 LEU 708 HD23 0.00 0.01 -0.13 -0.04 0.89 0.74 2vy6A1 SER 709 H -0.03 0.12 0.16 -0.55 8.46 8.15 2vy6A1 SER 709 HA -0.04 0.21 0.83 -0.75 4.49 4.73 2vy6A1 SER 709 HB2 -0.04 0.02 0.16 -0.04 3.95 4.05 2vy6A1 SER 709 HB3 -0.03 0.10 0.12 -0.04 3.93 4.08 2vy6A1 ILE 710 H -0.07 0.29 0.11 -0.55 8.25 8.03 2vy6A1 ILE 710 HA -0.15 0.10 0.32 -0.75 4.18 3.71 2vy6A1 ILE 710 HB -0.08 -0.05 0.05 -0.04 1.89 1.76 2vy6A1 ILE 710 HG12 -0.09 0.01 -0.07 -0.04 1.49 1.30 2vy6A1 ILE 710 HG13 -0.08 0.05 -0.01 -0.04 1.21 1.13 2vy6A1 ILE 710 HG23 -0.12 0.01 -0.19 -0.04 0.93 0.60 2vy6A1 ILE 710 HD13 -0.05 0.03 -0.03 -0.04 0.88 0.80 2vy6A1 ASN 711 H -0.07 -0.01 -0.43 -0.55 8.53 7.48 2vy6A1 ASN 711 HA -0.08 0.15 0.52 -0.75 4.76 4.59 2vy6A1 ASN 711 HB2 -0.05 -0.05 0.03 -0.04 2.88 2.77 2vy6A1 ASN 711 HB3 -0.05 0.04 0.00 -0.04 2.79 2.75 2vy6A1 ASN 711 HD21 -0.06 0.03 0.01 -0.04 7.03 6.97 2vy6A1 ASN 711 HD22 -0.05 -0.00 0.01 -0.04 7.74 7.66 2vy6A1 GLU 712 H -0.05 0.40 -0.19 -0.55 8.60 8.21 2vy6A1 GLU 712 HA -0.02 0.15 0.60 -0.75 4.29 4.27 2vy6A1 GLU 712 HB2 -0.03 0.06 0.13 -0.04 2.09 2.21 2vy6A1 GLU 712 HB3 -0.01 0.04 0.18 -0.04 1.99 2.16 2vy6A1 GLU 712 HG2 -0.02 0.06 -0.01 -0.04 2.34 2.33 2vy6A1 GLU 712 HG3 -0.03 -0.13 0.03 -0.04 2.34 2.18 2vy6A1 LEU 713 H -0.05 0.29 -0.54 -0.55 8.37 7.52 2vy6A1 LEU 713 HA 0.01 0.10 0.27 -0.75 4.35 3.98 2vy6A1 LEU 713 HB2 -0.13 0.11 -0.05 -0.04 1.64 1.53 2vy6A1 LEU 713 HB3 -0.15 0.02 -0.01 -0.04 1.64 1.46 2vy6A1 LEU 713 HG -0.19 0.02 -0.12 -0.04 1.64 1.31 2vy6A1 LEU 713 HD13 -0.78 0.00 -0.11 -0.04 0.93 0.00 2vy6A1 LEU 713 HD23 -0.18 -0.01 -0.22 -0.04 0.89 0.44 2vy6A1 SER 714 H 0.02 0.14 -0.31 -0.55 8.46 7.77 2vy6A1 SER 714 HA 0.08 0.11 0.43 -0.75 4.49 4.35 2vy6A1 SER 714 HB2 0.02 -0.00 -0.07 -0.04 3.95 3.86 2vy6A1 SER 714 HB3 0.02 -0.00 0.06 -0.04 3.93 3.97 2vy6A1 ASN 715 H 0.04 0.19 -0.42 -0.55 8.53 7.80 2vy6A1 ASN 715 HA 0.03 0.11 0.39 -0.75 4.76 4.54 2vy6A1 ASN 715 HB2 0.03 0.11 0.03 -0.04 2.88 3.01 2vy6A1 ASN 715 HB3 0.02 -0.03 0.07 -0.04 2.79 2.81 2vy6A1 ASN 715 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.94 2vy6A1 ASN 715 HD22 0.01 -0.00 0.01 -0.04 7.74 7.72 2vy6A1 LEU 716 H 0.10 0.31 -0.38 -0.55 8.37 7.86 2vy6A1 LEU 716 HA 0.06 -0.00 0.54 -0.75 4.35 4.20 2vy6A1 LEU 716 HB2 0.22 0.11 0.03 -0.04 1.64 1.96 2vy6A1 LEU 716 HB3 0.11 0.11 -0.04 -0.04 1.64 1.78 2vy6A1 LEU 716 HG 0.13 -0.05 -0.06 -0.04 1.64 1.62 2vy6A1 LEU 716 HD13 0.22 -0.01 -0.26 -0.04 0.93 0.84 2vy6A1 LEU 716 HD23 0.07 -0.01 -0.15 -0.04 0.89 0.76 2vy6A1 ALA 717 H 0.03 0.05 0.17 -0.55 8.40 8.10 2vy6A1 ALA 717 HA 0.00 0.16 0.79 -0.75 4.34 4.54 2vy6A1 ALA 717 HB3 0.01 -0.01 0.12 -0.04 1.41 1.49 2vy6A1 LYS 718 H -0.02 0.09 0.11 -0.55 8.42 8.04 2vy6A1 LYS 718 HA -0.09 0.15 0.25 -0.75 4.32 3.88 2vy6A1 LYS 718 HB2 -0.03 -0.07 0.07 -0.04 1.87 1.79 2vy6A1 LYS 718 HB3 -0.05 -0.01 -0.08 -0.04 1.79 1.62 2vy6A1 LYS 718 HG2 -0.08 0.25 0.03 -0.04 1.46 1.62 2vy6A1 LYS 718 HG3 -0.05 -0.06 0.06 -0.04 1.46 1.37 2vy6A1 LYS 718 HD2 -0.03 -0.06 0.04 -0.04 1.69 1.60 2vy6A1 LYS 718 HD3 -0.03 -0.03 0.05 -0.04 1.68 1.63 2vy6A1 LYS 718 HE2 -0.05 0.13 -0.04 -0.04 2.99 2.98 2vy6A1 LYS 718 HE3 -0.03 -0.06 -0.01 -0.04 2.99 2.85 2vy6A1 GLY 719 H -0.06 0.49 -0.01 -0.55 8.43 8.30 2vy6A1 GLY 719 HA2 -0.02 -0.02 0.37 -0.51 4.01 3.83 2vy6A1 GLY 719 HA3 -0.01 0.01 0.51 -0.51 4.01 4.01 2vy6A1 GLU 720 H -0.00 0.36 -0.83 -0.55 8.60 7.58 2vy6A1 GLU 720 HA 0.04 0.01 0.43 -0.75 4.29 4.02 2vy6A1 GLU 720 HB2 0.03 -0.04 0.03 -0.04 2.09 2.08 2vy6A1 GLU 720 HB3 0.05 0.06 0.09 -0.04 1.99 2.15 2vy6A1 GLU 720 HG2 0.07 0.12 -0.00 -0.04 2.34 2.49 2vy6A1 GLU 720 HG3 0.07 -0.03 0.11 -0.04 2.34 2.45 2vy6A1 LYS 721 H 0.06 0.14 0.27 -0.55 8.42 8.33 2vy6A1 LYS 721 HA -0.01 0.22 1.15 -0.75 4.32 4.92 2vy6A1 LYS 721 HB2 -0.41 -0.08 0.08 -0.04 1.87 1.42 2vy6A1 LYS 721 HB3 -0.43 0.04 0.09 -0.04 1.79 1.46 2vy6A1 LYS 721 HG2 -0.08 0.04 -0.15 -0.04 1.46 1.23 2vy6A1 LYS 721 HG3 -0.05 0.04 0.02 -0.04 1.46 1.43 2vy6A1 LYS 721 HD2 -0.49 -0.06 -0.05 -0.04 1.69 1.05 2vy6A1 LYS 721 HD3 -0.18 -0.02 -0.13 -0.04 1.68 1.30 2vy6A1 LYS 721 HE2 -0.03 -0.04 -0.05 -0.04 2.99 2.83 2vy6A1 LYS 721 HE3 -0.03 0.06 -0.03 -0.04 2.99 2.95 2vy6A1 ALA 722 H -0.05 0.53 0.37 -0.55 8.40 8.71 2vy6A1 ALA 722 HA 0.07 0.17 0.71 -0.75 4.34 4.54 2vy6A1 ALA 722 HB3 0.03 0.02 -0.08 -0.04 1.41 1.34 2vy6A1 ASN 723 H 0.04 0.30 0.04 -0.55 8.53 8.36 2vy6A1 ASN 723 HA -0.01 0.24 0.80 -0.75 4.76 5.04 2vy6A1 ASN 723 HB2 0.03 0.11 -0.18 -0.04 2.88 2.79 2vy6A1 ASN 723 HB3 0.01 -0.09 -0.08 -0.04 2.79 2.60 2vy6A1 ASN 723 HD21 0.15 0.29 -0.17 -0.04 7.03 7.26 2vy6A1 ASN 723 HD22 0.09 0.37 -0.37 -0.04 7.74 7.79 2vy6A1 VAL 724 H -0.03 0.44 0.29 -0.55 8.24 8.40 2vy6A1 VAL 724 HA -0.05 0.27 0.83 -0.75 4.13 4.43 2vy6A1 VAL 724 HB -0.07 -0.02 -0.04 -0.04 2.12 1.95 2vy6A1 VAL 724 HG13 -0.11 -0.01 -0.39 -0.04 0.97 0.42 2vy6A1 VAL 724 HG23 -0.12 0.01 -0.45 -0.04 0.95 0.35 2vy6A1 LEU 725 H -0.04 0.72 0.14 -0.55 8.37 8.65 2vy6A1 LEU 725 HA -0.02 0.19 0.77 -0.75 4.35 4.53 2vy6A1 LEU 725 HB2 -0.03 -0.08 0.18 -0.04 1.64 1.67 2vy6A1 LEU 725 HB3 -0.02 -0.00 0.04 -0.04 1.64 1.62 2vy6A1 LEU 725 HG -0.02 -0.04 -0.13 -0.04 1.64 1.41 2vy6A1 LEU 725 HD13 -0.01 -0.01 -0.15 -0.04 0.93 0.72 2vy6A1 LEU 725 HD23 -0.01 0.01 -0.08 -0.04 0.89 0.77 2vy6A1 ILE 726 H -0.02 0.48 0.19 -0.55 8.25 8.35 2vy6A1 ILE 726 HA -0.04 0.05 0.16 -0.75 4.18 3.59 2vy6A1 ILE 726 HB -0.03 0.01 -0.08 -0.04 1.89 1.75 2vy6A1 ILE 726 HG12 -0.02 -0.03 -0.10 -0.04 1.49 1.31 2vy6A1 ILE 726 HG13 -0.02 0.02 -0.00 -0.04 1.21 1.17 2vy6A1 ILE 726 HG23 -0.01 0.02 -0.18 -0.04 0.93 0.72 2vy6A1 ILE 726 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.67 2vy6A1 GLY 727 H -0.02 0.14 -0.17 -0.55 8.43 7.84 2vy6A1 GLY 727 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.81 2vy6A1 GLY 727 HA3 -0.01 0.22 0.71 -0.51 4.01 4.42 2vy6A1 GLN 728 H -0.00 0.13 0.14 -0.55 8.47 8.19 2vy6A1 GLN 728 HA 0.00 0.06 0.34 -0.75 4.36 4.00 2vy6A1 GLN 728 HB2 0.00 -0.01 0.43 -0.04 2.15 2.54 2vy6A1 GLN 728 HB3 0.00 -0.01 0.22 -0.04 2.02 2.19 2vy6A1 GLN 728 HG2 0.00 -0.05 -0.69 -0.04 2.40 1.62 2vy6A1 GLN 728 HG3 0.01 0.01 -0.04 -0.04 2.39 2.32 2vy6A1 GLN 728 HE21 0.02 0.20 0.07 -0.04 6.97 7.22 2vy6A1 GLN 728 HE22 0.02 -0.06 0.03 -0.04 7.69 7.64 2vy6A1 GLY 729 H 0.00 0.14 0.14 -0.55 8.43 8.16 2vy6A1 GLY 729 HA2 -0.00 0.15 0.65 -0.51 4.01 4.31 2vy6A1 GLY 729 HA3 0.00 0.00 0.35 -0.51 4.01 3.85 2vy6A1 ASP 730 H -0.00 0.28 -0.54 -0.55 8.40 7.59 2vy6A1 ASP 730 HA -0.00 0.05 0.05 -0.75 4.63 3.98 2vy6A1 ASP 730 HB2 -0.00 0.14 0.06 -0.04 2.71 2.86 2vy6A1 ASP 730 HB3 -0.00 0.01 -0.13 -0.04 2.70 2.54 2vy6A1 VAL 731 H -0.00 0.22 0.23 -0.55 8.24 8.14 2vy6A1 VAL 731 HA -0.01 0.40 0.94 -0.75 4.13 4.70 2vy6A1 VAL 731 HB 0.00 -0.06 0.11 -0.04 2.12 2.14 2vy6A1 VAL 731 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.75 2vy6A1 VAL 731 HG23 -0.00 0.02 -0.14 -0.04 0.95 0.79 2vy6A1 VAL 732 H -0.02 0.49 0.31 -0.55 8.24 8.47 2vy6A1 VAL 732 HA -0.00 0.10 0.84 -0.75 4.13 4.31 2vy6A1 VAL 732 HB -0.01 0.15 0.00 -0.04 2.12 2.23 2vy6A1 VAL 732 HG13 -0.00 -0.03 -0.28 -0.04 0.97 0.61 2vy6A1 VAL 732 HG23 -0.02 0.00 -0.12 -0.04 0.95 0.77 2vy6A1 LEU 733 H -0.02 0.79 0.13 -0.55 8.37 8.72 2vy6A1 LEU 733 HA -0.05 0.16 0.77 -0.75 4.35 4.47 2vy6A1 LEU 733 HB2 -0.04 -0.11 0.04 -0.04 1.64 1.49 2vy6A1 LEU 733 HB3 -0.05 -0.01 0.06 -0.04 1.64 1.60 2vy6A1 LEU 733 HG -0.20 0.07 -0.20 -0.04 1.64 1.28 2vy6A1 LEU 733 HD13 -0.41 0.03 -0.11 -0.04 0.93 0.39 2vy6A1 LEU 733 HD23 -0.20 -0.02 -0.09 -0.04 0.89 0.55 2vy6A1 VAL 734 H -0.06 0.73 0.44 -0.55 8.24 8.81 2vy6A1 VAL 734 HA 0.01 0.18 1.19 -0.75 4.13 4.75 2vy6A1 VAL 734 HB 0.12 0.06 -0.04 -0.04 2.12 2.21 2vy6A1 VAL 734 HG13 -0.06 -0.01 -0.25 -0.04 0.97 0.62 2vy6A1 VAL 734 HG23 -0.00 0.02 -0.26 -0.04 0.95 0.66 2vy6A1 MET 735 H 0.09 0.59 0.33 -0.55 8.47 8.93 2vy6A1 MET 735 HA 0.04 0.25 0.87 -0.75 4.52 4.93 2vy6A1 MET 735 HB2 -0.03 -0.02 -0.08 -0.04 2.15 1.97 2vy6A1 MET 735 HB3 0.01 -0.08 0.05 -0.04 2.03 1.96 2vy6A1 MET 735 HG2 -0.03 0.06 -0.64 -0.04 2.63 1.97 2vy6A1 MET 735 HG3 -0.02 0.17 -0.29 -0.04 2.56 2.38 2vy6A1 MET 735 HE3 -0.02 -0.05 -0.07 -0.04 2.10 1.92 2vy6A1 LYS 736 H 0.07 0.65 0.18 -0.55 8.42 8.76 2vy6A1 LYS 736 HA -0.83 0.12 0.80 -0.75 4.32 3.66 2vy6A1 LYS 736 HB2 -0.21 -0.03 0.02 -0.04 1.87 1.61 2vy6A1 LYS 736 HB3 -0.13 0.04 0.06 -0.04 1.79 1.72 2vy6A1 LYS 736 HG2 -0.25 -0.06 -0.21 -0.04 1.46 0.89 2vy6A1 LYS 736 HG3 -0.73 0.15 0.09 -0.04 1.46 0.93 2vy6A1 LYS 736 HD2 -0.31 -0.01 -0.09 -0.04 1.69 1.24 2vy6A1 LYS 736 HD3 -0.09 0.05 -0.41 -0.04 1.68 1.19 2vy6A1 LYS 736 HE2 -0.13 -0.08 -0.09 -0.04 2.99 2.65 2vy6A1 LYS 736 HE3 -0.16 -0.04 -0.03 -0.04 2.99 2.72 2vy6A1 ARG 737 H -0.35 0.80 0.38 -0.55 8.46 8.74 2vy6A1 ARG 737 HA -0.08 0.01 0.44 -0.75 4.34 3.95 2vy6A1 ARG 737 HB2 -0.12 0.14 0.07 -0.04 1.90 1.95 2vy6A1 ARG 737 HB3 -0.06 -0.15 0.03 -0.04 1.80 1.58 2vy6A1 ARG 737 HG2 -0.03 -0.04 -0.11 -0.04 1.67 1.45 2vy6A1 ARG 737 HG3 -0.07 -0.01 -0.27 -0.04 1.67 1.28 2vy6A1 ARG 737 HD2 0.00 0.07 -0.22 -0.04 3.22 3.03 2vy6A1 ARG 737 HD3 -0.03 -0.03 -0.16 -0.04 3.22 2.96 2vy6A1 LYS 738 H -0.04 0.11 0.19 -0.55 8.42 8.12 2vy6A1 LYS 738 HA -0.05 0.10 0.60 -0.75 4.32 4.22 2vy6A1 LYS 738 HB2 -0.02 -0.01 0.07 -0.04 1.87 1.87 2vy6A1 LYS 738 HB3 -0.02 0.01 0.06 -0.04 1.79 1.80 2vy6A1 LYS 738 HG2 -0.03 -0.01 -0.12 -0.04 1.46 1.26 2vy6A1 LYS 738 HG3 -0.03 0.00 0.04 -0.04 1.46 1.44 2vy6A1 LYS 738 HD2 -0.01 -0.00 -0.00 -0.04 1.69 1.63 2vy6A1 LYS 738 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.60 2vy6A1 LYS 738 HE2 -0.00 0.03 -0.04 -0.04 2.99 2.94 2vy6A1 LYS 738 HE3 -0.01 0.02 0.02 -0.04 2.99 2.97 2vy6A1 ARG 739 H -0.04 -0.02 -0.05 -0.55 8.46 7.80 2vy6A1 ARG 739 HA -0.02 0.16 0.86 -0.75 4.34 4.58 2vy6A1 ARG 739 HB2 -0.02 -0.03 -0.04 -0.04 1.90 1.77 2vy6A1 ARG 739 HB3 -0.01 0.15 -0.02 -0.04 1.80 1.87 2vy6A1 ARG 739 HG2 -0.01 0.04 -0.03 -0.04 1.67 1.63 2vy6A1 ARG 739 HG3 -0.01 -0.13 -0.09 -0.04 1.67 1.39 2vy6A1 ARG 739 HD2 -0.00 -0.00 -0.04 -0.04 3.22 3.13 2vy6A1 ARG 739 HD3 -0.00 0.07 -0.03 -0.04 3.22 3.21 2vy6A1 ASP 740 H -0.02 0.16 0.12 -0.55 8.40 8.11 2vy6A1 ASP 740 HA -0.03 0.14 0.76 -0.75 4.63 4.75 2vy6A1 ASP 740 HB2 -0.02 0.05 0.01 -0.04 2.71 2.71 2vy6A1 ASP 740 HB3 -0.01 0.00 0.06 -0.04 2.70 2.71 2vy6A1 SER 741 H -0.01 0.14 -0.01 -0.55 8.46 8.03 2vy6A1 SER 741 HA -0.00 0.25 0.60 -0.75 4.49 4.58 2vy6A1 SER 741 HB2 -0.00 -0.00 -0.00 -0.04 3.95 3.90 2vy6A1 SER 741 HB3 0.00 0.03 -0.02 -0.04 3.93 3.91