============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 15.751 -19.485 -45.984 -99.200 -91.000 PHE 5 1.000 3.294 -14.287 -39.979 -99.200 -91.000 PHE 8 1.000 4.143 -9.776 -29.631 -99.200 -91.000 PHE 14 1.000 -2.218 -17.800 -16.981 -99.200 -91.000 PHE 21 1.000 -16.311 1.114 -11.261 -99.200 -91.000 PHE 24 1.000 -17.794 11.161 -10.078 -99.200 -91.000 PHE 25 1.000 -17.485 5.641 -3.672 -99.200 -91.000 TYR 28 0.840 -19.450 12.534 5.343 -99.200 -91.000 PHE 44 1.000 -1.741 10.606 12.778 -99.200 -91.000 PHE 49 1.000 -13.088 2.080 7.808 -99.200 -91.000 TYR 65 0.840 -8.627 -12.240 -4.423 -99.200 -91.000 PHE 69 1.000 -11.792 1.243 -3.636 -99.200 -91.000 HIS 81 0.900 -2.343 5.630 -7.936 -99.200 -91.000 PHE 87 1.000 -15.098 -1.907 -0.380 -99.200 -91.000 TYR 95 0.840 -16.305 8.506 7.479 -99.200 -91.000 TRP 99 1.040 -1.984 9.440 6.576 -99.200 -91.000 TRP6 99 1.020 -1.053 8.768 4.517 -99.200 -91.000 PHE 124 1.000 15.339 -1.036 -7.858 -99.200 -91.000 PHE 134 1.000 12.293 3.699 8.229 -99.200 -91.000 PHE 151 1.000 0.261 3.453 3.499 -99.200 -91.000 TYR 164 0.840 7.803 -0.351 15.999 -99.200 -91.000 PHE 169 1.000 10.629 6.395 12.262 -99.200 -91.000 PHE 196 1.000 15.283 -0.323 2.927 -99.200 -91.000 TYR 202 0.840 16.019 18.249 11.596 -99.200 -91.000 TYR 207 0.840 30.648 30.241 11.878 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zc1A2 MET 1 HA -0.02 0.03 0.09 -0.75 4.52 3.86 1zc1A2 MET 1 HB2 -0.15 -0.01 0.00 -0.04 2.15 1.95 1zc1A2 MET 1 HB3 -0.08 0.00 0.08 -0.04 2.03 1.99 1zc1A2 MET 1 HG2 -0.05 0.02 0.02 -0.04 2.63 2.58 1zc1A2 MET 1 HG3 -0.05 -0.02 0.02 -0.04 2.56 2.48 1zc1A2 MET 1 HE3 -0.08 -0.00 -0.01 -0.04 2.10 1.98 1zc1A2 PHE 2 H 0.21 0.20 0.09 -0.55 8.34 8.28 1zc1A2 PHE 2 HA 0.01 0.08 0.48 -0.75 4.62 4.43 1zc1A2 PHE 2 HB2 0.00 -0.03 0.13 -0.04 3.15 3.22 1zc1A2 PHE 2 HB3 0.01 -0.01 0.03 -0.04 3.06 3.04 1zc1A2 PHE 2 HD2 0.00 0.01 0.06 -0.04 7.28 7.31 1zc1A2 PHE 2 HE2 0.00 -0.01 0.01 -0.04 7.38 7.34 1zc1A2 PHE 2 HZ 0.00 -0.02 -0.00 -0.04 7.32 7.26 1zc1A2 SER 3 H 0.14 0.11 -0.06 -0.55 8.46 8.12 1zc1A2 SER 3 HA 0.11 0.16 0.96 -0.75 4.49 4.97 1zc1A2 SER 3 HB2 0.07 -0.01 0.07 -0.04 3.95 4.04 1zc1A2 SER 3 HB3 0.08 0.07 0.03 -0.04 3.93 4.07 1zc1A2 GLY 4 H 0.10 0.14 0.13 -0.55 8.43 8.25 1zc1A2 GLY 4 HA2 -0.10 0.22 0.82 -0.51 4.01 4.44 1zc1A2 GLY 4 HA3 -0.16 0.03 0.26 -0.51 4.01 3.64 1zc1A2 PHE 5 H 0.16 0.02 0.06 -0.55 8.34 8.03 1zc1A2 PHE 5 HA -0.02 0.21 0.95 -0.75 4.62 5.00 1zc1A2 PHE 5 HB2 0.00 -0.04 0.06 -0.04 3.15 3.13 1zc1A2 PHE 5 HB3 -0.01 0.07 -0.03 -0.04 3.06 3.04 1zc1A2 PHE 5 HD2 -0.00 -0.03 -0.01 -0.04 7.28 7.19 1zc1A2 PHE 5 HE2 0.00 0.00 -0.02 -0.04 7.38 7.32 1zc1A2 PHE 5 HZ 0.00 -0.00 -0.02 -0.04 7.32 7.26 1zc1A2 SER 6 H 0.05 0.19 0.12 -0.55 8.46 8.27 1zc1A2 SER 6 HA 0.01 0.15 0.87 -0.75 4.49 4.78 1zc1A2 SER 6 HB2 -0.09 -0.01 0.05 -0.04 3.95 3.85 1zc1A2 SER 6 HB3 -0.07 0.09 -0.03 -0.04 3.93 3.87 1zc1A2 SER 7 H -0.00 0.16 0.12 -0.55 8.46 8.19 1zc1A2 SER 7 HA 0.03 0.12 0.70 -0.75 4.49 4.59 1zc1A2 SER 7 HB2 0.02 0.03 0.10 -0.04 3.95 4.06 1zc1A2 SER 7 HB3 0.06 -0.06 -0.01 -0.04 3.93 3.88 1zc1A2 PHE 8 H 0.24 0.16 0.17 -0.55 8.34 8.36 1zc1A2 PHE 8 HA 0.01 0.12 0.39 -0.75 4.62 4.38 1zc1A2 PHE 8 HB2 -0.00 -0.04 0.17 -0.04 3.15 3.24 1zc1A2 PHE 8 HB3 0.00 0.02 0.02 -0.04 3.06 3.06 1zc1A2 PHE 8 HD2 0.01 -0.01 0.07 -0.04 7.28 7.31 1zc1A2 PHE 8 HE2 0.01 0.01 0.02 -0.04 7.38 7.38 1zc1A2 PHE 8 HZ 0.02 0.00 0.01 -0.04 7.32 7.31 1zc1A2 GLY 9 H 0.14 0.07 -0.15 -0.55 8.43 7.94 1zc1A2 GLY 9 HA2 0.05 0.01 0.22 -0.51 4.01 3.78 1zc1A2 GLY 9 HA3 0.06 0.24 0.85 -0.51 4.01 4.65 1zc1A2 GLY 10 H 0.10 -0.01 -0.13 -0.55 8.43 7.85 1zc1A2 GLY 10 HA2 0.01 0.09 0.47 -0.51 4.01 4.07 1zc1A2 GLY 10 HA3 0.00 0.04 0.21 -0.51 4.01 3.75 1zc1A2 GLY 11 H -0.01 0.10 0.12 -0.55 8.43 8.10 1zc1A2 GLY 11 HA2 -0.01 0.19 0.86 -0.51 4.01 4.54 1zc1A2 GLY 11 HA3 -0.01 0.00 0.37 -0.51 4.01 3.85 1zc1A2 ASN 12 H -0.03 0.17 0.21 -0.55 8.53 8.34 1zc1A2 ASN 12 HA -0.10 0.21 0.75 -0.75 4.76 4.86 1zc1A2 ASN 12 HB2 -0.08 -0.02 0.10 -0.04 2.88 2.84 1zc1A2 ASN 12 HB3 -0.05 0.06 -0.14 -0.04 2.79 2.63 1zc1A2 ASN 12 HD21 -0.02 0.02 -0.03 -0.04 7.03 6.95 1zc1A2 ASN 12 HD22 -0.01 -0.00 -0.03 -0.04 7.74 7.65 1zc1A2 GLY 13 H -0.23 0.19 0.17 -0.55 8.43 8.01 1zc1A2 GLY 13 HA2 -0.06 0.01 0.32 -0.51 4.01 3.78 1zc1A2 GLY 13 HA3 -0.05 0.22 0.86 -0.51 4.01 4.53 1zc1A2 PHE 14 H 0.14 0.19 0.17 -0.55 8.34 8.29 1zc1A2 PHE 14 HA -0.03 0.19 0.96 -0.75 4.62 4.99 1zc1A2 PHE 14 HB2 -0.03 -0.02 0.08 -0.04 3.15 3.15 1zc1A2 PHE 14 HB3 -0.03 0.07 -0.04 -0.04 3.06 3.02 1zc1A2 PHE 14 HD2 -0.02 -0.00 -0.02 -0.04 7.28 7.19 1zc1A2 PHE 14 HE2 -0.02 -0.00 -0.02 -0.04 7.38 7.30 1zc1A2 PHE 14 HZ -0.01 -0.00 -0.02 -0.04 7.32 7.24 1zc1A2 VAL 15 H 0.08 0.20 0.12 -0.55 8.24 8.09 1zc1A2 VAL 15 HA 0.03 0.17 0.98 -0.75 4.13 4.55 1zc1A2 VAL 15 HB -0.02 -0.02 -0.08 -0.04 2.12 1.96 1zc1A2 VAL 15 HG13 -0.02 -0.00 0.04 -0.04 0.97 0.94 1zc1A2 VAL 15 HG23 -0.01 0.05 -0.10 -0.04 0.95 0.85 1zc1A2 ASN 16 H 0.02 0.15 0.13 -0.55 8.53 8.28 1zc1A2 ASN 16 HA 0.00 0.10 0.62 -0.75 4.76 4.73 1zc1A2 ASN 16 HB2 -0.01 -0.03 0.07 -0.04 2.88 2.87 1zc1A2 ASN 16 HB3 -0.02 0.07 -0.13 -0.04 2.79 2.67 1zc1A2 ASN 16 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.96 1zc1A2 ASN 16 HD22 -0.04 0.00 -0.00 -0.04 7.74 7.65 1zc1A2 MET 17 H -0.00 0.16 0.13 -0.55 8.47 8.20 1zc1A2 MET 17 HA 0.00 0.20 0.87 -0.75 4.52 4.83 1zc1A2 MET 17 HB2 0.00 -0.01 0.01 -0.04 2.15 2.11 1zc1A2 MET 17 HB3 0.00 -0.01 0.12 -0.04 2.03 2.10 1zc1A2 MET 17 HG2 0.01 0.13 -0.10 -0.04 2.63 2.63 1zc1A2 MET 17 HG3 0.00 -0.06 0.00 -0.04 2.56 2.47 1zc1A2 MET 17 HE3 0.01 -0.02 0.00 -0.04 2.10 2.05 1zc1A2 PRO 18 HA 0.01 0.33 0.45 -0.51 4.44 4.72 1zc1A2 PRO 18 HB2 0.02 -0.06 0.14 -0.04 2.28 2.34 1zc1A2 PRO 18 HB3 0.02 0.06 0.14 -0.04 2.02 2.19 1zc1A2 PRO 18 HG2 0.01 -0.09 0.16 -0.04 2.03 2.06 1zc1A2 PRO 18 HG3 0.00 0.07 0.15 -0.04 2.03 2.21 1zc1A2 PRO 18 HD2 0.01 0.04 0.24 -0.04 3.68 3.93 1zc1A2 PRO 18 HD3 0.00 0.31 0.27 -0.04 3.65 4.19 1zc1A2 GLN 19 H 0.01 0.16 0.32 -0.55 8.47 8.41 1zc1A2 GLN 19 HA 0.03 0.15 0.97 -0.75 4.36 4.75 1zc1A2 GLN 19 HB2 0.01 -0.07 0.14 -0.04 2.15 2.19 1zc1A2 GLN 19 HB3 0.02 0.00 -0.04 -0.04 2.02 1.96 1zc1A2 GLN 19 HG2 0.01 -0.01 -0.03 -0.04 2.40 2.33 1zc1A2 GLN 19 HG3 0.00 0.30 -0.05 -0.04 2.39 2.60 1zc1A2 GLN 19 HE21 -0.01 -0.01 0.05 -0.04 6.97 6.96 1zc1A2 GLN 19 HE22 -0.03 0.14 0.04 -0.04 7.69 7.80 1zc1A2 THR 20 H 0.07 0.19 0.16 -0.55 8.28 8.16 1zc1A2 THR 20 HA 0.11 0.65 1.17 -0.75 4.39 5.57 1zc1A2 THR 20 HB 0.06 -0.04 0.06 -0.04 4.32 4.36 1zc1A2 THR 20 HG23 0.06 -0.01 -0.14 -0.04 1.22 1.08 1zc1A2 PHE 21 H 0.21 0.56 0.32 -0.55 8.34 8.87 1zc1A2 PHE 21 HA 0.04 0.19 0.94 -0.75 4.62 5.04 1zc1A2 PHE 21 HB2 0.06 0.08 -0.08 -0.04 3.15 3.16 1zc1A2 PHE 21 HB3 0.11 -0.17 0.12 -0.04 3.06 3.08 1zc1A2 PHE 21 HD2 0.11 -0.00 -0.03 -0.04 7.28 7.32 1zc1A2 PHE 21 HE2 0.08 -0.03 -0.03 -0.04 7.38 7.36 1zc1A2 PHE 21 HZ 0.05 -0.04 -0.01 -0.04 7.32 7.28 1zc1A2 GLU 22 H -0.53 0.20 0.17 -0.55 8.60 7.90 1zc1A2 GLU 22 HA -0.26 0.20 1.07 -0.75 4.29 4.54 1zc1A2 GLU 22 HB2 -0.23 -0.01 0.11 -0.04 2.09 1.91 1zc1A2 GLU 22 HB3 -0.33 0.03 -0.04 -0.04 1.99 1.60 1zc1A2 GLU 22 HG2 -0.14 0.05 -0.12 -0.04 2.34 2.09 1zc1A2 GLU 22 HG3 -0.08 -0.04 -0.29 -0.04 2.34 1.89 1zc1A2 GLU 23 H -0.34 0.53 0.32 -0.55 8.60 8.57 1zc1A2 GLU 23 HA -0.37 0.11 0.80 -0.75 4.29 4.08 1zc1A2 GLU 23 HB2 0.18 0.14 -0.00 -0.04 2.09 2.37 1zc1A2 GLU 23 HB3 -0.46 -0.03 0.00 -0.04 1.99 1.46 1zc1A2 GLU 23 HG2 -0.15 0.04 0.00 -0.04 2.34 2.19 1zc1A2 GLU 23 HG3 -0.53 -0.06 -0.54 -0.04 2.34 1.18 1zc1A2 PHE 24 H -0.34 0.18 0.18 -0.55 8.34 7.81 1zc1A2 PHE 24 HA -0.17 0.18 1.13 -0.75 4.62 5.01 1zc1A2 PHE 24 HB2 -0.23 -0.02 0.16 -0.04 3.15 3.02 1zc1A2 PHE 24 HB3 -0.15 0.03 0.02 -0.04 3.06 2.92 1zc1A2 PHE 24 HD2 -0.12 0.00 -0.04 -0.04 7.28 7.08 1zc1A2 PHE 24 HE2 -0.08 0.01 -0.08 -0.04 7.38 7.19 1zc1A2 PHE 24 HZ -0.06 0.01 -0.08 -0.04 7.32 7.15 1zc1A2 PHE 25 H 0.08 0.62 0.39 -0.55 8.34 8.89 1zc1A2 PHE 25 HA 0.00 0.19 0.93 -0.75 4.62 4.98 1zc1A2 PHE 25 HB2 -0.08 -0.00 -0.08 -0.04 3.15 2.95 1zc1A2 PHE 25 HB3 -0.08 -0.02 0.01 -0.04 3.06 2.93 1zc1A2 PHE 25 HD2 -0.09 0.05 -0.17 -0.04 7.28 7.03 1zc1A2 PHE 25 HE2 -0.05 -0.01 -0.11 -0.04 7.38 7.17 1zc1A2 PHE 25 HZ 0.03 -0.05 -0.09 -0.04 7.32 7.17 1zc1A2 ARG 26 H 0.11 0.18 0.24 -0.55 8.46 8.44 1zc1A2 ARG 26 HA 0.09 0.08 0.70 -0.75 4.34 4.47 1zc1A2 ARG 26 HB2 0.27 0.07 0.03 -0.04 1.90 2.22 1zc1A2 ARG 26 HB3 0.10 0.02 0.09 -0.04 1.80 1.97 1zc1A2 ARG 26 HG2 -0.04 0.02 0.22 -0.04 1.67 1.83 1zc1A2 ARG 26 HG3 -0.20 -0.03 -0.07 -0.04 1.67 1.33 1zc1A2 ARG 26 HD2 -0.20 -0.07 -0.06 -0.04 3.22 2.84 1zc1A2 ARG 26 HD3 0.37 0.03 -0.04 -0.04 3.22 3.55 1zc1A2 CYS 27 H 0.09 0.36 0.20 -0.55 8.50 8.60 1zc1A2 CYS 27 HA 0.02 0.21 0.83 -0.75 4.58 4.88 1zc1A2 CYS 27 HB2 0.01 -0.01 -0.11 -0.04 2.97 2.82 1zc1A2 CYS 27 HB3 0.02 0.13 0.06 -0.04 2.97 3.13 1zc1A2 TYR 28 H -0.00 0.40 0.34 -0.55 8.29 8.47 1zc1A2 TYR 28 HA -0.06 0.17 0.97 -0.75 4.56 4.88 1zc1A2 TYR 28 HB2 -1.06 0.03 0.01 -0.04 3.06 2.00 1zc1A2 TYR 28 HB3 0.06 0.02 -0.07 -0.04 2.98 2.95 1zc1A2 TYR 28 HD2 -0.06 -0.10 -0.62 -0.04 7.15 6.33 1zc1A2 TYR 28 HE2 -0.04 -0.02 -0.11 -0.04 6.85 6.65 1zc1A2 PRO 29 HA 0.07 0.14 0.55 -0.51 4.44 4.69 1zc1A2 PRO 29 HB2 0.03 -0.13 0.11 -0.04 2.28 2.25 1zc1A2 PRO 29 HB3 0.01 0.11 0.12 -0.04 2.02 2.22 1zc1A2 PRO 29 HG2 0.04 0.01 0.16 -0.04 2.03 2.19 1zc1A2 PRO 29 HG3 -0.02 0.09 0.12 -0.04 2.03 2.18 1zc1A2 PRO 29 HD2 0.01 0.12 0.19 -0.04 3.68 3.95 1zc1A2 PRO 29 HD3 -0.09 0.12 0.24 -0.04 3.65 3.89 1zc1A2 ILE 30 H 0.12 0.41 0.28 -0.55 8.25 8.51 1zc1A2 ILE 30 HA 0.01 0.07 0.34 -0.75 4.18 3.84 1zc1A2 ILE 30 HB 0.03 -0.01 0.04 -0.04 1.89 1.92 1zc1A2 ILE 30 HG12 0.07 -0.04 -0.08 -0.04 1.49 1.40 1zc1A2 ILE 30 HG13 0.23 0.06 0.07 -0.04 1.21 1.54 1zc1A2 ILE 30 HG23 -0.02 0.01 -0.21 -0.04 0.93 0.67 1zc1A2 ILE 30 HD13 0.13 -0.02 -0.54 -0.04 0.88 0.41 1zc1A2 ALA 31 H 0.01 0.08 -0.10 -0.55 8.40 7.84 1zc1A2 ALA 31 HA 0.01 0.10 0.35 -0.75 4.34 4.04 1zc1A2 ALA 31 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.41 1zc1A2 MET 32 H 0.03 0.00 -0.47 -0.55 8.47 7.48 1zc1A2 MET 32 HA 0.01 0.04 0.39 -0.75 4.52 4.21 1zc1A2 MET 32 HB2 0.04 0.18 0.10 -0.04 2.15 2.43 1zc1A2 MET 32 HB3 0.02 -0.03 0.01 -0.04 2.03 1.99 1zc1A2 MET 32 HG2 0.01 -0.10 0.02 -0.04 2.63 2.52 1zc1A2 MET 32 HG3 0.00 -0.00 0.05 -0.04 2.56 2.56 1zc1A2 MET 32 HE3 0.00 -0.00 0.01 -0.04 2.10 2.07 1zc1A2 MET 33 H 0.02 0.18 -0.40 -0.55 8.47 7.72 1zc1A2 MET 33 HA -0.00 -0.08 0.36 -0.75 4.52 4.05 1zc1A2 MET 33 HB2 -0.09 0.29 0.09 -0.04 2.15 2.40 1zc1A2 MET 33 HB3 -0.11 -0.09 -0.01 -0.04 2.03 1.78 1zc1A2 MET 33 HG2 0.04 0.18 0.00 -0.04 2.63 2.81 1zc1A2 MET 33 HG3 -0.34 -0.06 -0.07 -0.04 2.56 2.04 1zc1A2 MET 33 HE3 -0.10 -0.02 -0.03 -0.04 2.10 1.91 1zc1A2 ASN 34 H -0.02 0.02 0.16 -0.55 8.53 8.14 1zc1A2 ASN 34 HA -0.01 0.14 0.43 -0.75 4.76 4.57 1zc1A2 ASN 34 HB2 -0.03 -0.08 0.13 -0.04 2.88 2.87 1zc1A2 ASN 34 HB3 -0.01 -0.09 0.13 -0.04 2.79 2.78 1zc1A2 ASN 34 HD21 -0.00 0.00 0.09 -0.04 7.03 7.08 1zc1A2 ASN 34 HD22 0.00 0.04 0.05 -0.04 7.74 7.78 1zc1A2 ASP 35 H -0.00 0.13 0.20 -0.55 8.40 8.18 1zc1A2 ASP 35 HA -0.00 0.26 0.43 -0.75 4.63 4.57 1zc1A2 ASP 35 HB2 0.00 -0.08 0.15 -0.04 2.71 2.73 1zc1A2 ASP 35 HB3 0.01 0.00 0.03 -0.04 2.70 2.70 1zc1A2 ARG 36 H -0.01 0.00 -0.14 -0.55 8.46 7.76 1zc1A2 ARG 36 HA -0.01 0.10 0.36 -0.75 4.34 4.03 1zc1A2 ARG 36 HB2 -0.02 0.05 0.01 -0.04 1.90 1.90 1zc1A2 ARG 36 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.80 1zc1A2 ARG 36 HG2 -0.02 -0.14 0.01 -0.04 1.67 1.49 1zc1A2 ARG 36 HG3 -0.03 0.10 -0.21 -0.04 1.67 1.49 1zc1A2 ARG 36 HD2 -0.01 0.03 -0.04 -0.04 3.22 3.16 1zc1A2 ARG 36 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 1zc1A2 ILE 37 H -0.04 -0.04 -0.39 -0.55 8.25 7.24 1zc1A2 ILE 37 HA -0.08 0.05 0.41 -0.75 4.18 3.81 1zc1A2 ILE 37 HB -0.08 0.09 0.04 -0.04 1.89 1.89 1zc1A2 ILE 37 HG12 -0.05 0.03 -0.01 -0.04 1.49 1.42 1zc1A2 ILE 37 HG13 -0.04 -0.11 0.00 -0.04 1.21 1.02 1zc1A2 ILE 37 HG23 -0.16 -0.01 -0.09 -0.04 0.93 0.63 1zc1A2 ILE 37 HD13 -0.03 -0.02 0.04 -0.04 0.88 0.82 1zc1A2 ARG 38 H -0.07 0.57 -0.20 -0.55 8.46 8.21 1zc1A2 ARG 38 HA -0.11 0.08 0.89 -0.75 4.34 4.45 1zc1A2 ARG 38 HB2 -0.07 0.17 -0.10 -0.04 1.90 1.86 1zc1A2 ARG 38 HB3 -0.06 -0.06 -0.08 -0.04 1.80 1.56 1zc1A2 ARG 38 HG2 -0.23 -0.12 -0.39 -0.04 1.67 0.89 1zc1A2 ARG 38 HG3 -0.24 0.02 -0.07 -0.04 1.67 1.34 1zc1A2 ARG 38 HD2 -0.28 -0.04 -0.05 -0.04 3.22 2.81 1zc1A2 ARG 38 HD3 -0.35 0.14 -0.01 -0.04 3.22 2.96 1zc1A2 LYS 39 H 0.01 0.08 0.11 -0.55 8.42 8.06 1zc1A2 LYS 39 HA 0.02 0.23 0.61 -0.75 4.32 4.42 1zc1A2 LYS 39 HB2 0.06 -0.04 0.13 -0.04 1.87 1.97 1zc1A2 LYS 39 HB3 0.04 -0.14 0.09 -0.04 1.79 1.75 1zc1A2 LYS 39 HG2 0.02 0.06 0.02 -0.04 1.46 1.52 1zc1A2 LYS 39 HG3 0.02 0.08 -0.01 -0.04 1.46 1.51 1zc1A2 LYS 39 HD2 0.03 0.07 0.00 -0.04 1.69 1.75 1zc1A2 LYS 39 HD3 0.05 -0.03 0.02 -0.04 1.68 1.69 1zc1A2 LYS 39 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 1zc1A2 LYS 39 HE3 0.02 0.05 0.01 -0.04 2.99 3.03 1zc1A2 ASP 40 H 0.04 0.21 0.19 -0.55 8.40 8.30 1zc1A2 ASP 40 HA 0.11 0.15 0.40 -0.75 4.63 4.53 1zc1A2 ASP 40 HB2 0.05 -0.04 0.14 -0.04 2.71 2.83 1zc1A2 ASP 40 HB3 0.10 0.04 0.02 -0.04 2.70 2.81 1zc1A2 ASP 41 H 0.07 0.09 -0.13 -0.55 8.40 7.88 1zc1A2 ASP 41 HA 0.12 0.11 0.36 -0.75 4.63 4.47 1zc1A2 ASP 41 HB2 0.05 -0.04 0.05 -0.04 2.71 2.73 1zc1A2 ASP 41 HB3 0.05 0.08 -0.02 -0.04 2.70 2.78 1zc1A2 ALA 42 H 0.09 0.06 -0.40 -0.55 8.40 7.60 1zc1A2 ALA 42 HA 0.10 0.06 0.38 -0.75 4.34 4.12 1zc1A2 ALA 42 HB3 0.15 0.04 0.05 -0.04 1.41 1.61 1zc1A2 ASN 43 H 0.12 0.33 -0.35 -0.55 8.53 8.09 1zc1A2 ASN 43 HA 0.03 -0.05 0.42 -0.75 4.76 4.40 1zc1A2 ASN 43 HB2 0.18 0.27 0.17 -0.04 2.88 3.45 1zc1A2 ASN 43 HB3 -0.10 -0.11 0.05 -0.04 2.79 2.59 1zc1A2 ASN 43 HD21 0.11 -0.04 0.01 -0.04 7.03 7.06 1zc1A2 ASN 43 HD22 0.04 0.13 -0.13 -0.04 7.74 7.75 1zc1A2 PHE 44 H 0.32 0.34 -0.25 -0.55 8.34 8.19 1zc1A2 PHE 44 HA 0.48 0.04 0.89 -0.75 4.62 5.28 1zc1A2 PHE 44 HB2 0.07 0.03 0.08 -0.04 3.15 3.29 1zc1A2 PHE 44 HB3 -0.01 -0.01 0.16 -0.04 3.06 3.16 1zc1A2 PHE 44 HD2 0.04 0.06 -0.02 -0.04 7.28 7.32 1zc1A2 PHE 44 HE2 0.07 0.01 -0.05 -0.04 7.38 7.37 1zc1A2 PHE 44 HZ 0.07 0.01 -0.05 -0.04 7.32 7.31 1zc1A2 GLY 45 H 0.28 0.17 -0.41 -0.55 8.43 7.92 1zc1A2 GLY 45 HA2 0.10 0.15 0.83 -0.51 4.01 4.57 1zc1A2 GLY 45 HA3 0.10 -0.05 0.38 -0.51 4.01 3.93 1zc1A2 GLY 46 H -0.27 0.19 0.16 -0.55 8.43 7.97 1zc1A2 GLY 46 HA2 0.41 0.16 0.80 -0.51 4.01 4.87 1zc1A2 GLY 46 HA3 -0.64 0.05 0.39 -0.51 4.01 3.29 1zc1A2 LYS 47 H -0.05 0.02 -0.29 -0.55 8.42 7.55 1zc1A2 LYS 47 HA -0.11 0.16 0.58 -0.75 4.32 4.19 1zc1A2 LYS 47 HB2 -0.15 -0.06 0.07 -0.04 1.87 1.69 1zc1A2 LYS 47 HB3 -0.28 -0.09 -0.02 -0.04 1.79 1.35 1zc1A2 LYS 47 HG2 -0.13 0.08 -0.18 -0.04 1.46 1.19 1zc1A2 LYS 47 HG3 -0.15 0.03 -0.06 -0.04 1.46 1.24 1zc1A2 LYS 47 HD2 -0.10 -0.09 -0.01 -0.04 1.69 1.45 1zc1A2 LYS 47 HD3 -0.14 -0.08 -0.01 -0.04 1.68 1.41 1zc1A2 LYS 47 HE2 -0.07 0.11 -0.01 -0.04 2.99 2.97 1zc1A2 LYS 47 HE3 -0.09 0.09 0.04 -0.04 2.99 2.99 1zc1A2 ILE 48 H -0.16 0.22 0.39 -0.55 8.25 8.15 1zc1A2 ILE 48 HA -0.09 0.24 1.03 -0.75 4.18 4.60 1zc1A2 ILE 48 HB -0.10 0.03 0.08 -0.04 1.89 1.86 1zc1A2 ILE 48 HG12 -0.01 0.56 0.11 -0.04 1.49 2.12 1zc1A2 ILE 48 HG13 -0.13 -0.16 -0.15 -0.04 1.21 0.72 1zc1A2 ILE 48 HG23 -0.06 0.01 -0.09 -0.04 0.93 0.76 1zc1A2 ILE 48 HD13 -0.08 -0.02 -0.23 -0.04 0.88 0.51 1zc1A2 PHE 49 H 0.13 0.26 0.30 -0.55 8.34 8.48 1zc1A2 PHE 49 HA -0.18 0.29 1.03 -0.75 4.62 5.01 1zc1A2 PHE 49 HB2 0.08 -0.07 0.21 -0.04 3.15 3.32 1zc1A2 PHE 49 HB3 -0.01 -0.06 0.09 -0.04 3.06 3.03 1zc1A2 PHE 49 HD2 -0.04 0.02 0.03 -0.04 7.28 7.25 1zc1A2 PHE 49 HE2 -0.05 0.00 -0.04 -0.04 7.38 7.26 1zc1A2 PHE 49 HZ -0.04 -0.02 -0.02 -0.04 7.32 7.20 1zc1A2 LEU 50 H -0.24 0.30 0.31 -0.55 8.37 8.18 1zc1A2 LEU 50 HA -0.24 0.29 0.88 -0.75 4.35 4.53 1zc1A2 LEU 50 HB2 -0.51 -0.03 -0.10 -0.04 1.64 0.96 1zc1A2 LEU 50 HB3 -0.19 0.06 -0.01 -0.04 1.64 1.45 1zc1A2 LEU 50 HG -0.63 0.10 -0.23 -0.04 1.64 0.84 1zc1A2 LEU 50 HD13 -0.47 -0.00 -0.42 -0.04 0.93 -0.00 1zc1A2 LEU 50 HD23 -1.46 -0.00 -0.20 -0.04 0.89 -0.80 1zc1A2 PRO 51 HA 0.15 0.19 0.61 -0.51 4.44 4.88 1zc1A2 PRO 51 HB2 0.14 -0.12 0.07 -0.04 2.28 2.34 1zc1A2 PRO 51 HB3 0.11 -0.02 0.20 -0.04 2.02 2.27 1zc1A2 PRO 51 HG2 0.35 -0.11 0.05 -0.04 2.03 2.28 1zc1A2 PRO 51 HG3 0.38 0.10 -0.00 -0.04 2.03 2.47 1zc1A2 PRO 51 HD2 -0.46 0.10 0.11 -0.04 3.68 3.40 1zc1A2 PRO 51 HD3 -0.18 0.24 -0.03 -0.04 3.65 3.65 1zc1A2 PRO 52 HA -0.14 0.09 0.38 -0.51 4.44 4.26 1zc1A2 PRO 52 HB2 0.01 0.05 -0.06 -0.04 2.28 2.25 1zc1A2 PRO 52 HB3 0.00 0.07 0.08 -0.04 2.02 2.12 1zc1A2 PRO 52 HG2 0.06 0.06 -0.04 -0.04 2.03 2.06 1zc1A2 PRO 52 HG3 0.10 0.13 -0.10 -0.04 2.03 2.12 1zc1A2 PRO 52 HD2 0.08 0.17 0.15 -0.04 3.68 4.03 1zc1A2 PRO 52 HD3 0.12 0.08 -0.13 -0.04 3.65 3.68 1zc1A2 SER 53 H 0.07 0.17 -0.36 -0.55 8.46 7.80 1zc1A2 SER 53 HA 0.03 0.09 0.38 -0.75 4.49 4.24 1zc1A2 SER 53 HB2 0.07 0.08 0.07 -0.04 3.95 4.12 1zc1A2 SER 53 HB3 0.14 0.01 0.01 -0.04 3.93 4.04 1zc1A2 ALA 54 H 0.13 0.25 -0.31 -0.55 8.40 7.93 1zc1A2 ALA 54 HA 0.25 0.07 0.34 -0.75 4.34 4.25 1zc1A2 ALA 54 HB3 0.32 0.03 -0.04 -0.04 1.41 1.68 1zc1A2 LEU 55 H -0.21 0.19 -0.41 -0.55 8.37 7.40 1zc1A2 LEU 55 HA -0.18 0.05 0.33 -0.75 4.35 3.80 1zc1A2 LEU 55 HB2 -0.24 0.24 0.14 -0.04 1.64 1.74 1zc1A2 LEU 55 HB3 -0.20 0.00 -0.02 -0.04 1.64 1.38 1zc1A2 LEU 55 HG -1.41 -0.02 -0.03 -0.04 1.64 0.14 1zc1A2 LEU 55 HD13 -0.35 -0.02 0.01 -0.04 0.93 0.53 1zc1A2 LEU 55 HD23 -0.38 0.01 -0.06 -0.04 0.89 0.41 1zc1A2 SER 56 H -0.06 0.36 -0.24 -0.55 8.46 7.98 1zc1A2 SER 56 HA -0.05 0.04 0.39 -0.75 4.49 4.12 1zc1A2 SER 56 HB2 -0.00 0.18 0.15 -0.04 3.95 4.23 1zc1A2 SER 56 HB3 -0.01 -0.02 0.02 -0.04 3.93 3.88 1zc1A2 LYS 57 H -0.01 0.33 -0.29 -0.55 8.42 7.90 1zc1A2 LYS 57 HA -0.05 0.05 0.45 -0.75 4.32 4.01 1zc1A2 LYS 57 HB2 0.06 0.15 0.14 -0.04 1.87 2.17 1zc1A2 LYS 57 HB3 -0.10 -0.02 0.01 -0.04 1.79 1.64 1zc1A2 LYS 57 HG2 0.10 -0.02 0.03 -0.04 1.46 1.52 1zc1A2 LYS 57 HG3 0.09 0.08 0.04 -0.04 1.46 1.64 1zc1A2 LYS 57 HD2 0.31 -0.03 -0.02 -0.04 1.69 1.91 1zc1A2 LYS 57 HD3 0.46 0.02 0.01 -0.04 1.68 2.12 1zc1A2 LYS 57 HE2 0.11 -0.01 -0.00 -0.04 2.99 3.05 1zc1A2 LYS 57 HE3 0.11 -0.00 -0.00 -0.04 2.99 3.06 1zc1A2 LEU 58 H -0.13 0.48 -0.17 -0.55 8.37 8.01 1zc1A2 LEU 58 HA -0.34 0.02 0.35 -0.75 4.35 3.62 1zc1A2 LEU 58 HB2 -0.09 0.14 0.12 -0.04 1.64 1.77 1zc1A2 LEU 58 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.44 1zc1A2 LEU 58 HG -0.00 0.23 -0.03 -0.04 1.64 1.80 1zc1A2 LEU 58 HD13 0.09 -0.03 -0.20 -0.04 0.93 0.75 1zc1A2 LEU 58 HD23 -0.03 -0.01 -0.08 -0.04 0.89 0.72 1zc1A2 SER 59 H -0.09 0.48 -0.27 -0.55 8.46 8.04 1zc1A2 SER 59 HA -0.05 0.05 0.38 -0.75 4.49 4.12 1zc1A2 SER 59 HB2 -0.05 0.17 0.13 -0.04 3.95 4.17 1zc1A2 SER 59 HB3 -0.03 -0.04 0.02 -0.04 3.93 3.83 1zc1A2 MET 60 H -0.08 0.32 -0.32 -0.55 8.47 7.84 1zc1A2 MET 60 HA -0.04 0.02 0.42 -0.75 4.52 4.16 1zc1A2 MET 60 HB2 -0.08 0.24 0.18 -0.04 2.15 2.45 1zc1A2 MET 60 HB3 -0.04 -0.05 0.04 -0.04 2.03 1.94 1zc1A2 MET 60 HG2 -0.04 0.17 0.12 -0.04 2.63 2.85 1zc1A2 MET 60 HG3 -0.02 -0.06 0.05 -0.04 2.56 2.49 1zc1A2 MET 60 HE3 -0.01 -0.01 0.02 -0.04 2.10 2.07 1zc1A2 LEU 61 H -0.14 0.32 -0.29 -0.55 8.37 7.71 1zc1A2 LEU 61 HA -0.05 0.07 0.51 -0.75 4.35 4.12 1zc1A2 LEU 61 HB2 -0.20 0.05 0.07 -0.04 1.64 1.51 1zc1A2 LEU 61 HB3 -0.08 -0.03 0.07 -0.04 1.64 1.56 1zc1A2 LEU 61 HG -0.21 0.05 -0.01 -0.04 1.64 1.43 1zc1A2 LEU 61 HD13 -0.42 -0.02 -0.05 -0.04 0.93 0.40 1zc1A2 LEU 61 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.84 1zc1A2 ASN 62 H -0.06 0.31 -0.73 -0.55 8.53 7.50 1zc1A2 ASN 62 HA -0.03 0.04 0.28 -0.75 4.76 4.30 1zc1A2 ASN 62 HB2 -0.03 0.19 -0.14 -0.04 2.88 2.86 1zc1A2 ASN 62 HB3 -0.03 -0.10 0.18 -0.04 2.79 2.81 1zc1A2 ASN 62 HD21 -0.02 -0.02 -0.05 -0.04 7.03 6.90 1zc1A2 ASN 62 HD22 -0.01 -0.05 -0.02 -0.04 7.74 7.61 1zc1A2 ILE 63 H -0.06 0.37 -0.18 -0.55 8.25 7.83 1zc1A2 ILE 63 HA -0.04 0.06 0.36 -0.75 4.18 3.81 1zc1A2 ILE 63 HB -0.05 -0.09 -0.10 -0.04 1.89 1.61 1zc1A2 ILE 63 HG12 -0.12 0.21 -0.00 -0.04 1.49 1.54 1zc1A2 ILE 63 HG13 -0.11 -0.11 -0.05 -0.04 1.21 0.90 1zc1A2 ILE 63 HG23 -0.03 -0.00 -0.13 -0.04 0.93 0.72 1zc1A2 ILE 63 HD13 -0.04 0.04 -0.18 -0.04 0.88 0.65 1zc1A2 ARG 64 H -0.05 0.11 0.14 -0.55 8.46 8.11 1zc1A2 ARG 64 HA -0.09 0.07 0.68 -0.75 4.34 4.25 1zc1A2 ARG 64 HB2 -0.10 -0.03 0.10 -0.04 1.90 1.83 1zc1A2 ARG 64 HB3 -0.22 0.08 0.01 -0.04 1.80 1.62 1zc1A2 ARG 64 HG2 -0.13 -0.02 -0.02 -0.04 1.67 1.46 1zc1A2 ARG 64 HG3 -0.08 0.11 0.01 -0.04 1.67 1.67 1zc1A2 ARG 64 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.08 1zc1A2 ARG 64 HD3 -0.14 -0.01 -0.00 -0.04 3.22 3.02 1zc1A2 TYR 65 H -0.27 0.07 0.11 -0.55 8.29 7.65 1zc1A2 TYR 65 HA -0.03 0.10 0.23 -0.75 4.56 4.10 1zc1A2 TYR 65 HB2 -0.01 -0.04 0.06 -0.04 3.06 3.02 1zc1A2 TYR 65 HB3 -0.02 0.01 -0.01 -0.04 2.98 2.91 1zc1A2 TYR 65 HD2 -0.02 0.05 -0.14 -0.04 7.15 7.00 1zc1A2 TYR 65 HE2 -0.02 -0.01 -0.02 -0.04 6.85 6.76 1zc1A2 PRO 66 HA 0.16 -0.01 0.34 -0.51 4.44 4.42 1zc1A2 PRO 66 HB2 0.02 0.11 -0.08 -0.04 2.28 2.30 1zc1A2 PRO 66 HB3 0.05 0.03 0.12 -0.04 2.02 2.18 1zc1A2 PRO 66 HG2 0.04 0.07 0.06 -0.04 2.03 2.16 1zc1A2 PRO 66 HG3 0.10 -0.02 0.07 -0.04 2.03 2.14 1zc1A2 PRO 66 HD2 0.00 0.10 0.17 -0.04 3.68 3.92 1zc1A2 PRO 66 HD3 0.05 0.08 0.38 -0.04 3.65 4.13 1zc1A2 MET 67 H 0.02 0.11 0.12 -0.55 8.47 8.18 1zc1A2 MET 67 HA -0.09 0.23 0.75 -0.75 4.52 4.65 1zc1A2 MET 67 HB2 -0.03 -0.03 0.05 -0.04 2.15 2.10 1zc1A2 MET 67 HB3 -0.29 0.01 -0.11 -0.04 2.03 1.61 1zc1A2 MET 67 HG2 -0.01 0.10 -0.22 -0.04 2.63 2.46 1zc1A2 MET 67 HG3 0.06 -0.09 -0.14 -0.04 2.56 2.35 1zc1A2 MET 67 HE3 -0.00 0.02 -0.13 -0.04 2.10 1.95 1zc1A2 LEU 68 H -0.18 0.25 0.19 -0.55 8.37 8.09 1zc1A2 LEU 68 HA -0.13 0.12 0.96 -0.75 4.35 4.54 1zc1A2 LEU 68 HB2 -0.02 0.50 0.23 -0.04 1.64 2.31 1zc1A2 LEU 68 HB3 0.02 -0.03 -0.04 -0.04 1.64 1.55 1zc1A2 LEU 68 HG -0.04 0.05 -0.20 -0.04 1.64 1.41 1zc1A2 LEU 68 HD13 -0.01 -0.03 -0.12 -0.04 0.93 0.73 1zc1A2 LEU 68 HD23 -0.00 0.01 -0.51 -0.04 0.89 0.35 1zc1A2 PHE 69 H 0.06 0.37 0.21 -0.55 8.34 8.42 1zc1A2 PHE 69 HA 0.08 0.38 1.03 -0.75 4.62 5.36 1zc1A2 PHE 69 HB2 -0.01 0.04 -0.11 -0.04 3.15 3.03 1zc1A2 PHE 69 HB3 0.00 -0.05 -0.15 -0.04 3.06 2.82 1zc1A2 PHE 69 HD2 0.01 0.04 -0.35 -0.04 7.28 6.94 1zc1A2 PHE 69 HE2 0.08 -0.02 -0.25 -0.04 7.38 7.14 1zc1A2 PHE 69 HZ 0.51 -0.05 -0.24 -0.04 7.32 7.51 1zc1A2 LYS 70 H 0.21 0.57 0.38 -0.55 8.42 9.03 1zc1A2 LYS 70 HA 0.01 0.00 1.20 -0.75 4.32 4.78 1zc1A2 LYS 70 HB2 0.05 -0.01 -0.14 -0.04 1.87 1.73 1zc1A2 LYS 70 HB3 -0.03 -0.05 0.03 -0.04 1.79 1.70 1zc1A2 LYS 70 HG2 -0.25 0.05 -0.43 -0.04 1.46 0.79 1zc1A2 LYS 70 HG3 -0.84 -0.04 -0.53 -0.04 1.46 0.01 1zc1A2 LYS 70 HD2 -0.37 -0.03 -0.20 -0.04 1.69 1.04 1zc1A2 LYS 70 HD3 -0.16 -0.05 -0.21 -0.04 1.68 1.22 1zc1A2 LYS 70 HE2 -0.24 -0.05 -0.25 -0.04 2.99 2.41 1zc1A2 LYS 70 HE3 -0.86 0.03 -0.26 -0.04 2.99 1.85 1zc1A2 LEU 71 H -0.05 0.57 0.35 -0.55 8.37 8.69 1zc1A2 LEU 71 HA -0.04 0.44 0.97 -0.75 4.35 4.97 1zc1A2 LEU 71 HB2 -0.06 -0.03 0.13 -0.04 1.64 1.64 1zc1A2 LEU 71 HB3 -0.05 -0.02 -0.04 -0.04 1.64 1.49 1zc1A2 LEU 71 HG -0.02 -0.07 -0.15 -0.04 1.64 1.37 1zc1A2 LEU 71 HD13 -0.08 -0.01 -0.11 -0.04 0.93 0.70 1zc1A2 LEU 71 HD23 -0.05 0.03 -0.22 -0.04 0.89 0.61 1zc1A2 THR 72 H -0.06 0.67 0.36 -0.55 8.28 8.71 1zc1A2 THR 72 HA -0.06 0.13 0.89 -0.75 4.39 4.60 1zc1A2 THR 72 HB -0.07 -0.06 0.10 -0.04 4.32 4.25 1zc1A2 THR 72 HG23 -0.03 0.01 -0.24 -0.04 1.22 0.91 1zc1A2 ALA 73 H -0.03 0.50 0.12 -0.55 8.40 8.44 1zc1A2 ALA 73 HA -0.01 0.11 0.90 -0.75 4.34 4.59 1zc1A2 ALA 73 HB3 -0.02 0.05 0.14 -0.04 1.41 1.54 1zc1A2 ASN 74 H 0.00 0.24 0.15 -0.55 8.53 8.38 1zc1A2 ASN 74 HA 0.00 0.13 0.42 -0.75 4.76 4.56 1zc1A2 ASN 74 HB2 0.01 -0.03 0.13 -0.04 2.88 2.95 1zc1A2 ASN 74 HB3 0.01 0.05 0.00 -0.04 2.79 2.81 1zc1A2 ASN 74 HD21 0.02 0.03 -0.02 -0.04 7.03 7.02 1zc1A2 ASN 74 HD22 0.04 0.01 -0.07 -0.04 7.74 7.68 1zc1A2 GLU 75 H -0.00 0.07 -0.03 -0.55 8.60 8.09 1zc1A2 GLU 75 HA -0.00 0.07 0.41 -0.75 4.29 4.01 1zc1A2 GLU 75 HB2 -0.00 0.04 0.08 -0.04 2.09 2.17 1zc1A2 GLU 75 HB3 -0.00 0.08 0.04 -0.04 1.99 2.06 1zc1A2 GLU 75 HG2 -0.00 0.01 0.07 -0.04 2.34 2.37 1zc1A2 GLU 75 HG3 -0.00 -0.11 0.10 -0.04 2.34 2.29 1zc1A2 THR 76 H -0.00 0.02 -0.31 -0.55 8.28 7.44 1zc1A2 THR 76 HA -0.00 0.18 0.77 -0.75 4.39 4.59 1zc1A2 THR 76 HB -0.01 0.03 0.11 -0.04 4.32 4.41 1zc1A2 THR 76 HG23 0.00 -0.00 0.09 -0.04 1.22 1.27 1zc1A2 GLY 77 H -0.00 0.16 -0.29 -0.55 8.43 7.75 1zc1A2 GLY 77 HA2 -0.00 -0.03 0.34 -0.51 4.01 3.81 1zc1A2 GLY 77 HA3 -0.00 0.04 0.38 -0.51 4.01 3.92 1zc1A2 ARG 78 H -0.01 -0.01 -0.90 -0.55 8.46 6.99 1zc1A2 ARG 78 HA -0.01 0.13 0.81 -0.75 4.34 4.53 1zc1A2 ARG 78 HB2 0.00 0.07 -0.02 -0.04 1.90 1.91 1zc1A2 ARG 78 HB3 -0.00 -0.00 0.01 -0.04 1.80 1.76 1zc1A2 ARG 78 HG2 -0.01 -0.03 -0.35 -0.04 1.67 1.25 1zc1A2 ARG 78 HG3 0.00 -0.01 -0.00 -0.04 1.67 1.62 1zc1A2 ARG 78 HD2 0.01 0.00 -0.03 -0.04 3.22 3.16 1zc1A2 ARG 78 HD3 0.01 0.03 -0.07 -0.04 3.22 3.14 1zc1A2 VAL 79 H -0.03 0.20 0.12 -0.55 8.24 7.99 1zc1A2 VAL 79 HA -0.06 0.21 1.17 -0.75 4.13 4.69 1zc1A2 VAL 79 HB -0.09 -0.02 0.05 -0.04 2.12 2.03 1zc1A2 VAL 79 HG13 -0.13 -0.01 -0.57 -0.04 0.97 0.21 1zc1A2 VAL 79 HG23 -0.04 -0.01 -0.23 -0.04 0.95 0.63 1zc1A2 THR 80 H -0.07 0.40 0.25 -0.55 8.28 8.31 1zc1A2 THR 80 HA -0.02 0.15 0.77 -0.75 4.39 4.53 1zc1A2 THR 80 HB 0.03 -0.01 0.02 -0.04 4.32 4.32 1zc1A2 THR 80 HG23 0.01 0.03 -0.15 -0.04 1.22 1.06 1zc1A2 HIS 81 H 0.16 0.14 0.12 -0.55 8.41 8.29 1zc1A2 HIS 81 HA 0.05 0.06 1.00 -0.75 4.63 4.99 1zc1A2 HIS 81 HB2 0.04 -0.06 0.07 -0.04 3.26 3.27 1zc1A2 HIS 81 HB3 0.05 0.10 -0.11 -0.04 3.20 3.19 1zc1A2 HIS 81 HD2 0.04 0.02 -0.22 -0.04 6.97 6.76 1zc1A2 HIS 81 HE1 0.02 0.08 -0.07 -0.04 7.75 7.74 1zc1A2 GLY 82 H 0.11 0.28 0.39 -0.55 8.43 8.66 1zc1A2 GLY 82 HA2 0.15 0.13 0.88 -0.51 4.01 4.67 1zc1A2 GLY 82 HA3 0.07 -0.03 0.30 -0.51 4.01 3.83 1zc1A2 GLY 83 H 0.19 0.22 0.33 -0.55 8.43 8.63 1zc1A2 GLY 83 HA2 0.10 0.06 0.88 -0.51 4.01 4.53 1zc1A2 GLY 83 HA3 0.10 0.00 0.57 -0.51 4.01 4.18 1zc1A2 VAL 84 H -0.00 0.25 0.32 -0.55 8.24 8.25 1zc1A2 VAL 84 HA -0.10 -0.07 1.13 -0.75 4.13 4.34 1zc1A2 VAL 84 HB 0.37 -0.02 -0.15 -0.04 2.12 2.28 1zc1A2 VAL 84 HG13 -0.13 -0.03 0.04 -0.04 0.97 0.81 1zc1A2 VAL 84 HG23 -0.22 -0.01 -0.17 -0.04 0.95 0.52 1zc1A2 LEU 85 H -0.33 0.30 0.22 -0.55 8.37 8.01 1zc1A2 LEU 85 HA -0.14 0.21 0.78 -0.75 4.35 4.44 1zc1A2 LEU 85 HB2 -0.28 -0.01 0.05 -0.04 1.64 1.37 1zc1A2 LEU 85 HB3 -0.58 -0.06 0.17 -0.04 1.64 1.13 1zc1A2 LEU 85 HG -0.15 0.00 -0.17 -0.04 1.64 1.28 1zc1A2 LEU 85 HD13 -0.08 0.02 -0.00 -0.04 0.93 0.83 1zc1A2 LEU 85 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.68 1zc1A2 GLU 86 H -0.41 0.17 0.20 -0.55 8.60 8.01 1zc1A2 GLU 86 HA -0.05 0.20 0.75 -0.75 4.29 4.44 1zc1A2 GLU 86 HB2 0.03 -0.05 -0.04 -0.04 2.09 1.99 1zc1A2 GLU 86 HB3 0.09 0.03 0.01 -0.04 1.99 2.07 1zc1A2 GLU 86 HG2 0.03 0.08 0.02 -0.04 2.34 2.43 1zc1A2 GLU 86 HG3 -0.04 -0.03 -0.50 -0.04 2.34 1.73 1zc1A2 PHE 87 H 0.32 0.20 0.12 -0.55 8.34 8.42 1zc1A2 PHE 87 HA 0.09 0.10 1.02 -0.75 4.62 5.07 1zc1A2 PHE 87 HB2 0.05 -0.03 0.09 -0.04 3.15 3.22 1zc1A2 PHE 87 HB3 0.05 -0.03 -0.31 -0.04 3.06 2.72 1zc1A2 PHE 87 HD2 0.02 -0.02 -0.37 -0.04 7.28 6.87 1zc1A2 PHE 87 HE2 0.09 0.03 -0.16 -0.04 7.38 7.30 1zc1A2 PHE 87 HZ 0.46 0.04 -0.20 -0.04 7.32 7.57 1zc1A2 ILE 88 H 0.20 0.15 0.24 -0.55 8.25 8.29 1zc1A2 ILE 88 HA 0.11 0.23 0.87 -0.75 4.18 4.63 1zc1A2 ILE 88 HB 0.02 -0.00 0.12 -0.04 1.89 1.98 1zc1A2 ILE 88 HG12 0.29 0.01 0.00 -0.04 1.49 1.75 1zc1A2 ILE 88 HG13 -0.01 -0.01 -0.28 -0.04 1.21 0.87 1zc1A2 ILE 88 HG23 0.16 0.02 -0.24 -0.04 0.93 0.82 1zc1A2 ILE 88 HD13 -0.57 0.01 -0.04 -0.04 0.88 0.23 1zc1A2 ALA 89 H 0.13 0.21 -0.03 -0.55 8.40 8.16 1zc1A2 ALA 89 HA 0.04 0.12 0.67 -0.75 4.34 4.42 1zc1A2 ALA 89 HB3 0.04 -0.04 0.07 -0.04 1.41 1.43 1zc1A2 GLU 90 H 0.03 0.33 0.23 -0.55 8.60 8.65 1zc1A2 GLU 90 HA 0.05 0.09 0.46 -0.75 4.29 4.13 1zc1A2 GLU 90 HB2 0.02 -0.03 0.14 -0.04 2.09 2.18 1zc1A2 GLU 90 HB3 0.03 0.05 0.03 -0.04 1.99 2.05 1zc1A2 GLU 90 HG2 0.04 0.01 -0.00 -0.04 2.34 2.34 1zc1A2 GLU 90 HG3 0.03 0.11 0.06 -0.04 2.34 2.50 1zc1A2 GLU 91 H 0.02 0.04 -0.02 -0.55 8.60 8.09 1zc1A2 GLU 91 HA 0.02 0.14 0.42 -0.75 4.29 4.11 1zc1A2 GLU 91 HB2 0.01 0.01 0.08 -0.04 2.09 2.14 1zc1A2 GLU 91 HB3 -0.01 -0.08 -0.01 -0.04 1.99 1.85 1zc1A2 GLU 91 HG2 -0.00 0.05 -0.23 -0.04 2.34 2.12 1zc1A2 GLU 91 HG3 0.01 0.03 0.04 -0.04 2.34 2.38 1zc1A2 GLY 92 H 0.04 -0.12 -0.43 -0.55 8.43 7.37 1zc1A2 GLY 92 HA2 0.15 0.01 0.26 -0.51 4.01 3.91 1zc1A2 GLY 92 HA3 0.10 0.26 0.92 -0.51 4.01 4.77 1zc1A2 ARG 93 H -0.01 -0.09 0.09 -0.55 8.46 7.90 1zc1A2 ARG 93 HA -0.11 0.22 1.01 -0.75 4.34 4.70 1zc1A2 ARG 93 HB2 -0.24 -0.10 -0.00 -0.04 1.90 1.51 1zc1A2 ARG 93 HB3 -0.72 0.11 -0.02 -0.04 1.80 1.13 1zc1A2 ARG 93 HG2 -0.27 0.11 -0.14 -0.04 1.67 1.32 1zc1A2 ARG 93 HG3 -0.13 -0.13 -0.37 -0.04 1.67 1.00 1zc1A2 ARG 93 HD2 -0.99 0.04 -0.09 -0.04 3.22 2.14 1zc1A2 ARG 93 HD3 -0.17 0.04 -0.10 -0.04 3.22 2.95 1zc1A2 VAL 94 H -0.26 0.42 0.26 -0.55 8.24 8.11 1zc1A2 VAL 94 HA -0.11 0.41 1.06 -0.75 4.13 4.73 1zc1A2 VAL 94 HB -0.38 -0.09 -0.07 -0.04 2.12 1.54 1zc1A2 VAL 94 HG13 -0.05 0.03 -0.13 -0.04 0.97 0.79 1zc1A2 VAL 94 HG23 -0.20 -0.05 -0.06 -0.04 0.95 0.60 1zc1A2 TYR 95 H 0.14 0.26 0.31 -0.55 8.29 8.45 1zc1A2 TYR 95 HA 0.03 0.17 1.09 -0.75 4.56 5.10 1zc1A2 TYR 95 HB2 0.12 -0.07 0.11 -0.04 3.06 3.19 1zc1A2 TYR 95 HB3 0.05 0.03 -0.00 -0.04 2.98 3.02 1zc1A2 TYR 95 HD2 0.01 0.02 -0.25 -0.04 7.15 6.88 1zc1A2 TYR 95 HE2 0.01 -0.01 -0.20 -0.04 6.85 6.60 1zc1A2 LEU 96 H 0.10 0.30 0.27 -0.55 8.37 8.49 1zc1A2 LEU 96 HA -0.04 0.27 0.99 -0.75 4.35 4.82 1zc1A2 LEU 96 HB2 -0.05 -0.04 0.05 -0.04 1.64 1.56 1zc1A2 LEU 96 HB3 -0.14 0.04 -0.04 -0.04 1.64 1.46 1zc1A2 LEU 96 HG -0.04 -0.08 -0.35 -0.04 1.64 1.12 1zc1A2 LEU 96 HD13 -0.07 0.00 -0.16 -0.04 0.93 0.66 1zc1A2 LEU 96 HD23 -0.09 0.05 -0.12 -0.04 0.89 0.69 1zc1A2 PRO 97 HA -0.05 0.05 0.54 -0.51 4.44 4.47 1zc1A2 PRO 97 HB2 -0.84 -0.37 0.12 -0.04 2.28 1.15 1zc1A2 PRO 97 HB3 0.10 0.26 0.17 -0.04 2.02 2.50 1zc1A2 PRO 97 HG2 -0.14 0.11 0.20 -0.04 2.03 2.15 1zc1A2 PRO 97 HG3 0.01 0.18 0.14 -0.04 2.03 2.33 1zc1A2 PRO 97 HD2 -0.32 0.00 0.19 -0.04 3.68 3.51 1zc1A2 PRO 97 HD3 -0.09 0.22 0.21 -0.04 3.65 3.95 1zc1A2 GLN 98 H -0.13 0.46 0.39 -0.55 8.47 8.65 1zc1A2 GLN 98 HA -0.09 0.05 0.49 -0.75 4.36 4.05 1zc1A2 GLN 98 HB2 -0.15 -0.06 0.19 -0.04 2.15 2.10 1zc1A2 GLN 98 HB3 -0.36 0.06 0.15 -0.04 2.02 1.83 1zc1A2 GLN 98 HG2 -0.05 0.03 -0.19 -0.04 2.40 2.15 1zc1A2 GLN 98 HG3 -0.05 -0.02 0.07 -0.04 2.39 2.35 1zc1A2 GLN 98 HE21 0.00 -0.01 -0.00 -0.04 6.97 6.91 1zc1A2 GLN 98 HE22 0.04 0.02 -0.02 -0.04 7.69 7.69 1zc1A2 TRP 99 H 0.09 0.25 -0.02 -0.55 7.97 7.74 1zc1A2 TRP 99 HA -0.02 0.10 0.48 -0.75 4.62 4.43 1zc1A2 TRP 99 HB2 0.07 0.05 0.02 -0.04 3.23 3.33 1zc1A2 TRP 99 HB3 0.03 -0.00 0.09 -0.04 3.23 3.30 1zc1A2 TRP 99 HD1 -0.11 0.04 0.23 -0.04 7.22 7.33 1zc1A2 TRP 99 HE1 0.08 0.34 -0.40 -0.04 10.20 10.17 1zc1A2 TRP 99 HE3 0.08 -0.03 -0.18 -0.04 7.59 7.42 1zc1A2 TRP 99 HZ2 0.40 -0.02 -0.12 -0.04 7.44 7.65 1zc1A2 TRP 99 HZ3 0.06 0.37 0.16 -0.04 7.13 7.68 1zc1A2 TRP 99 HH2 0.33 0.02 0.07 -0.04 7.19 7.57 1zc1A2 MET 100 H -1.27 0.10 -0.26 -0.55 8.47 6.50 1zc1A2 MET 100 HA -0.65 0.11 0.43 -0.75 4.52 3.65 1zc1A2 MET 100 HB2 -0.69 0.05 0.08 -0.04 2.15 1.56 1zc1A2 MET 100 HB3 -0.51 -0.01 -0.02 -0.04 2.03 1.45 1zc1A2 MET 100 HG2 -1.64 0.03 0.04 -0.04 2.63 1.02 1zc1A2 MET 100 HG3 -3.25 -0.01 0.05 -0.04 2.56 -0.69 1zc1A2 MET 100 HE3 -0.14 -0.00 -0.00 -0.04 2.10 1.91 1zc1A2 MET 101 H -0.27 0.58 -0.25 -0.55 8.47 7.98 1zc1A2 MET 101 HA -0.11 0.00 0.33 -0.75 4.52 3.99 1zc1A2 MET 101 HB2 -0.08 0.08 0.12 -0.04 2.15 2.22 1zc1A2 MET 101 HB3 -0.05 0.04 -0.02 -0.04 2.03 1.96 1zc1A2 MET 101 HG2 -0.06 -0.08 -0.06 -0.04 2.63 2.39 1zc1A2 MET 101 HG3 -0.12 0.25 -0.18 -0.04 2.56 2.48 1zc1A2 MET 101 HE3 -0.01 -0.01 -0.16 -0.04 2.10 1.88 1zc1A2 GLU 102 H -0.05 0.35 -0.33 -0.55 8.60 8.01 1zc1A2 GLU 102 HA -0.00 0.04 0.41 -0.75 4.29 3.98 1zc1A2 GLU 102 HB2 0.06 0.15 0.16 -0.04 2.09 2.42 1zc1A2 GLU 102 HB3 0.04 -0.02 0.01 -0.04 1.99 1.98 1zc1A2 GLU 102 HG2 0.02 -0.05 0.03 -0.04 2.34 2.31 1zc1A2 GLU 102 HG3 0.01 0.21 0.13 -0.04 2.34 2.65 1zc1A2 THR 103 H -0.02 0.34 -0.25 -0.55 8.28 7.80 1zc1A2 THR 103 HA 0.03 0.04 0.39 -0.75 4.39 4.10 1zc1A2 THR 103 HB -0.05 0.13 0.17 -0.04 4.32 4.52 1zc1A2 THR 103 HG23 0.04 -0.02 -0.02 -0.04 1.22 1.18 1zc1A2 LEU 104 H -0.06 0.42 -0.24 -0.55 8.37 7.94 1zc1A2 LEU 104 HA -0.03 0.04 0.40 -0.75 4.35 4.02 1zc1A2 LEU 104 HB2 -0.05 0.10 0.10 -0.04 1.64 1.74 1zc1A2 LEU 104 HB3 -0.04 -0.10 -0.01 -0.04 1.64 1.46 1zc1A2 LEU 104 HG -0.10 0.15 -0.01 -0.04 1.64 1.65 1zc1A2 LEU 104 HD13 -0.08 -0.03 -0.12 -0.04 0.93 0.65 1zc1A2 LEU 104 HD23 -0.05 -0.02 -0.06 -0.04 0.89 0.72 1zc1A2 GLY 105 H -0.02 0.29 -0.51 -0.55 8.43 7.65 1zc1A2 GLY 105 HA2 -0.00 0.06 0.27 -0.51 4.01 3.82 1zc1A2 GLY 105 HA3 -0.00 0.04 0.42 -0.51 4.01 3.96 1zc1A2 ILE 106 H -0.02 0.29 -0.10 -0.55 8.25 7.87 1zc1A2 ILE 106 HA -0.01 0.14 0.93 -0.75 4.18 4.48 1zc1A2 ILE 106 HB -0.01 0.00 -0.02 -0.04 1.89 1.82 1zc1A2 ILE 106 HG12 -0.03 -0.00 -0.05 -0.04 1.49 1.36 1zc1A2 ILE 106 HG13 -0.03 -0.02 -0.16 -0.04 1.21 0.95 1zc1A2 ILE 106 HG23 -0.01 0.02 -0.21 -0.04 0.93 0.69 1zc1A2 ILE 106 HD13 -0.02 0.00 -0.15 -0.04 0.88 0.67 1zc1A2 GLN 107 H -0.02 0.11 0.12 -0.55 8.47 8.14 1zc1A2 GLN 107 HA -0.02 0.18 0.72 -0.75 4.36 4.49 1zc1A2 GLN 107 HB2 -0.02 0.05 0.08 -0.04 2.15 2.22 1zc1A2 GLN 107 HB3 -0.01 0.00 0.01 -0.04 2.02 1.98 1zc1A2 GLN 107 HG2 -0.02 -0.11 0.06 -0.04 2.40 2.29 1zc1A2 GLN 107 HG3 -0.02 0.08 -0.07 -0.04 2.39 2.34 1zc1A2 GLN 107 HE21 -0.01 -0.09 0.09 -0.04 6.97 6.92 1zc1A2 GLN 107 HE22 -0.01 0.04 0.03 -0.04 7.69 7.70 1zc1A2 PRO 108 HA -0.05 0.03 0.36 -0.51 4.44 4.26 1zc1A2 PRO 108 HB2 -0.08 0.05 0.01 -0.04 2.28 2.23 1zc1A2 PRO 108 HB3 -0.05 -0.02 0.15 -0.04 2.02 2.05 1zc1A2 PRO 108 HG2 -0.04 0.04 0.10 -0.04 2.03 2.10 1zc1A2 PRO 108 HG3 -0.03 0.03 0.10 -0.04 2.03 2.09 1zc1A2 PRO 108 HD2 -0.02 0.09 0.23 -0.04 3.68 3.94 1zc1A2 PRO 108 HD3 -0.02 0.13 0.17 -0.04 3.65 3.89 1zc1A2 GLY 109 H -0.12 0.36 0.29 -0.55 8.43 8.42 1zc1A2 GLY 109 HA2 -0.15 -0.01 0.41 -0.51 4.01 3.75 1zc1A2 GLY 109 HA3 -0.09 0.10 0.67 -0.51 4.01 4.17 1zc1A2 SER 110 H -0.04 0.32 -0.18 -0.55 8.46 8.02 1zc1A2 SER 110 HA -0.01 0.04 0.52 -0.75 4.49 4.28 1zc1A2 SER 110 HB2 -0.01 -0.06 0.13 -0.04 3.95 3.97 1zc1A2 SER 110 HB3 -0.02 0.01 0.12 -0.04 3.93 4.00 1zc1A2 LEU 111 H 0.01 0.07 0.20 -0.55 8.37 8.10 1zc1A2 LEU 111 HA 0.04 0.06 0.57 -0.75 4.35 4.26 1zc1A2 LEU 111 HB2 0.03 -0.05 0.14 -0.04 1.64 1.72 1zc1A2 LEU 111 HB3 0.07 0.04 0.02 -0.04 1.64 1.72 1zc1A2 LEU 111 HG 0.01 -0.00 0.10 -0.04 1.64 1.70 1zc1A2 LEU 111 HD13 0.00 -0.00 0.02 -0.04 0.93 0.91 1zc1A2 LEU 111 HD23 0.01 0.02 -0.00 -0.04 0.89 0.88 1zc1A2 LEU 112 H 0.07 0.35 0.32 -0.55 8.37 8.56 1zc1A2 LEU 112 HA 0.01 0.16 0.95 -0.75 4.35 4.72 1zc1A2 LEU 112 HB2 0.01 -0.01 -0.18 -0.04 1.64 1.42 1zc1A2 LEU 112 HB3 0.05 0.13 -0.11 -0.04 1.64 1.67 1zc1A2 LEU 112 HG 0.00 -0.02 -0.42 -0.04 1.64 1.17 1zc1A2 LEU 112 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 1zc1A2 LEU 112 HD23 -0.04 -0.01 -0.26 -0.04 0.89 0.54 1zc1A2 GLN 113 H -0.01 0.30 0.20 -0.55 8.47 8.41 1zc1A2 GLN 113 HA -0.11 0.15 1.13 -0.75 4.36 4.78 1zc1A2 GLN 113 HB2 -0.08 -0.03 0.05 -0.04 2.15 2.05 1zc1A2 GLN 113 HB3 -0.08 0.00 0.31 -0.04 2.02 2.21 1zc1A2 GLN 113 HG2 -0.21 0.01 -0.26 -0.04 2.40 1.90 1zc1A2 GLN 113 HG3 -0.57 0.11 0.04 -0.04 2.39 1.93 1zc1A2 GLN 113 HE21 -0.25 0.00 -0.11 -0.04 6.97 6.58 1zc1A2 GLN 113 HE22 -0.12 -0.00 -0.09 -0.04 7.69 7.43 1zc1A2 ILE 114 H 0.00 0.36 0.23 -0.55 8.25 8.30 1zc1A2 ILE 114 HA -0.00 0.36 0.98 -0.75 4.18 4.77 1zc1A2 ILE 114 HB 0.21 -0.05 -0.05 -0.04 1.89 1.95 1zc1A2 ILE 114 HG12 -0.12 0.04 -0.28 -0.04 1.49 1.10 1zc1A2 ILE 114 HG13 0.04 -0.05 -0.41 -0.04 1.21 0.75 1zc1A2 ILE 114 HG23 -0.36 -0.02 -0.27 -0.04 0.93 0.24 1zc1A2 ILE 114 HD13 -0.57 -0.01 -0.21 -0.04 0.88 0.05 1zc1A2 SER 115 H 0.10 0.45 0.37 -0.55 8.46 8.83 1zc1A2 SER 115 HA 0.07 0.20 1.16 -0.75 4.49 5.17 1zc1A2 SER 115 HB2 0.04 0.11 0.04 -0.04 3.95 4.09 1zc1A2 SER 115 HB3 -0.05 -0.09 -0.05 -0.04 3.93 3.70 1zc1A2 SER 116 H 0.30 0.34 0.26 -0.55 8.46 8.82 1zc1A2 SER 116 HA 0.16 0.34 0.74 -0.75 4.49 4.98 1zc1A2 SER 116 HB2 0.42 -0.05 0.04 -0.04 3.95 4.31 1zc1A2 SER 116 HB3 0.29 -0.09 0.13 -0.04 3.93 4.21 1zc1A2 THR 117 H 0.04 0.76 0.30 -0.55 8.28 8.83 1zc1A2 THR 117 HA 0.08 0.27 1.04 -0.75 4.39 5.03 1zc1A2 THR 117 HB 0.15 -0.04 -0.14 -0.04 4.32 4.25 1zc1A2 THR 117 HG23 0.10 -0.01 -0.31 -0.04 1.22 0.96 1zc1A2 ASP 118 H 0.03 0.33 0.17 -0.55 8.40 8.39 1zc1A2 ASP 118 HA -0.01 0.21 0.97 -0.75 4.63 5.04 1zc1A2 ASP 118 HB2 0.00 -0.30 0.28 -0.04 2.71 2.65 1zc1A2 ASP 118 HB3 -0.02 0.05 0.00 -0.04 2.70 2.70 1zc1A2 VAL 119 H -0.02 0.24 0.04 -0.55 8.24 7.94 1zc1A2 VAL 119 HA -0.01 0.19 0.92 -0.75 4.13 4.47 1zc1A2 VAL 119 HB -0.04 0.37 -0.02 -0.04 2.12 2.39 1zc1A2 VAL 119 HG13 -0.06 -0.08 -0.47 -0.04 0.97 0.32 1zc1A2 VAL 119 HG23 -0.04 -0.06 -0.41 -0.04 0.95 0.41 1zc1A2 PRO 120 HA -0.01 0.03 0.54 -0.51 4.44 4.48 1zc1A2 PRO 120 HB2 -0.00 0.14 -0.04 -0.04 2.28 2.34 1zc1A2 PRO 120 HB3 -0.00 -0.04 0.11 -0.04 2.02 2.05 1zc1A2 PRO 120 HG2 -0.00 0.14 0.05 -0.04 2.03 2.17 1zc1A2 PRO 120 HG3 -0.00 0.09 0.04 -0.04 2.03 2.12 1zc1A2 PRO 120 HD2 -0.01 0.15 0.22 -0.04 3.68 3.99 1zc1A2 PRO 120 HD3 -0.01 0.09 0.24 -0.04 3.65 3.93 1zc1A2 LEU 121 H -0.01 0.09 0.19 -0.55 8.37 8.08 1zc1A2 LEU 121 HA -0.01 -0.09 0.37 -0.75 4.35 3.87 1zc1A2 LEU 121 HB2 -0.00 -0.05 0.21 -0.04 1.64 1.76 1zc1A2 LEU 121 HB3 -0.00 0.19 -0.02 -0.04 1.64 1.77 1zc1A2 LEU 121 HG -0.01 0.14 0.15 -0.04 1.64 1.88 1zc1A2 LEU 121 HD13 -0.01 -0.03 0.11 -0.04 0.93 0.96 1zc1A2 LEU 121 HD23 -0.01 0.06 -0.03 -0.04 0.89 0.87 1zc1A2 GLY 122 H -0.01 -0.04 0.14 -0.55 8.43 7.98 1zc1A2 GLY 122 HA2 0.01 0.12 0.59 -0.51 4.01 4.22 1zc1A2 GLY 122 HA3 0.00 -0.04 0.26 -0.51 4.01 3.72 1zc1A2 GLN 123 H 0.05 0.40 0.34 -0.55 8.47 8.71 1zc1A2 GLN 123 HA 0.04 0.24 0.87 -0.75 4.36 4.76 1zc1A2 GLN 123 HB2 0.06 -0.02 0.14 -0.04 2.15 2.29 1zc1A2 GLN 123 HB3 0.06 -0.03 0.10 -0.04 2.02 2.12 1zc1A2 GLN 123 HG2 0.03 0.03 0.02 -0.04 2.40 2.43 1zc1A2 GLN 123 HG3 0.03 0.07 -0.05 -0.04 2.39 2.39 1zc1A2 GLN 123 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 1zc1A2 GLN 123 HE22 0.02 -0.03 0.00 -0.04 7.69 7.63 1zc1A2 PHE 124 H 0.12 0.18 0.17 -0.55 8.34 8.26 1zc1A2 PHE 124 HA -0.02 0.31 0.84 -0.75 4.62 5.00 1zc1A2 PHE 124 HB2 -0.01 0.06 -0.16 -0.04 3.15 3.00 1zc1A2 PHE 124 HB3 -0.02 -0.11 0.07 -0.04 3.06 2.95 1zc1A2 PHE 124 HD2 -0.02 -0.03 -0.18 -0.04 7.28 7.01 1zc1A2 PHE 124 HE2 -0.02 -0.00 -0.14 -0.04 7.38 7.18 1zc1A2 PHE 124 HZ -0.02 -0.02 -0.10 -0.04 7.32 7.14 1zc1A2 VAL 125 H -0.78 0.73 0.29 -0.55 8.24 7.94 1zc1A2 VAL 125 HA -0.15 0.06 0.96 -0.75 4.13 4.25 1zc1A2 VAL 125 HB -0.13 -0.02 -0.25 -0.04 2.12 1.68 1zc1A2 VAL 125 HG13 -0.24 -0.04 -0.28 -0.04 0.97 0.37 1zc1A2 VAL 125 HG23 -0.16 0.01 -0.29 -0.04 0.95 0.48 1zc1A2 LYS 126 H -0.11 0.50 0.21 -0.55 8.42 8.46 1zc1A2 LYS 126 HA -0.24 0.12 0.91 -0.75 4.32 4.36 1zc1A2 LYS 126 HB2 0.17 0.03 0.10 -0.04 1.87 2.14 1zc1A2 LYS 126 HB3 0.01 -0.40 0.34 -0.04 1.79 1.70 1zc1A2 LYS 126 HG2 -0.02 -0.02 -0.22 -0.04 1.46 1.16 1zc1A2 LYS 126 HG3 0.04 0.04 -0.03 -0.04 1.46 1.46 1zc1A2 LYS 126 HD2 0.10 0.01 -0.04 -0.04 1.69 1.72 1zc1A2 LYS 126 HD3 0.03 -0.07 -0.04 -0.04 1.68 1.56 1zc1A2 LYS 126 HE2 0.02 0.02 -0.08 -0.04 2.99 2.90 1zc1A2 LYS 126 HE3 0.05 0.01 -0.07 -0.04 2.99 2.94 1zc1A2 LEU 127 H -0.26 0.57 0.34 -0.55 8.37 8.48 1zc1A2 LEU 127 HA -0.16 0.17 0.98 -0.75 4.35 4.58 1zc1A2 LEU 127 HB2 -0.53 0.10 0.12 -0.04 1.64 1.29 1zc1A2 LEU 127 HB3 -0.25 -0.00 -0.11 -0.04 1.64 1.23 1zc1A2 LEU 127 HG -0.29 -0.07 -0.38 -0.04 1.64 0.86 1zc1A2 LEU 127 HD13 -0.34 -0.01 -0.14 -0.04 0.93 0.40 1zc1A2 LEU 127 HD23 -0.15 0.02 -0.21 -0.04 0.89 0.50 1zc1A2 GLU 128 H -0.10 0.60 0.29 -0.55 8.60 8.83 1zc1A2 GLU 128 HA -0.04 0.16 0.94 -0.75 4.29 4.60 1zc1A2 GLU 128 HB2 -0.04 -0.08 0.06 -0.04 2.09 1.99 1zc1A2 GLU 128 HB3 -0.06 0.04 0.27 -0.04 1.99 2.20 1zc1A2 GLU 128 HG2 -0.04 0.20 -0.11 -0.04 2.34 2.36 1zc1A2 GLU 128 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.28 1zc1A2 PRO 129 HA -0.27 0.11 0.53 -0.51 4.44 4.30 1zc1A2 PRO 129 HB2 0.03 -0.01 -0.03 -0.04 2.28 2.23 1zc1A2 PRO 129 HB3 0.06 -0.00 0.03 -0.04 2.02 2.07 1zc1A2 PRO 129 HG2 0.06 -0.07 -0.08 -0.04 2.03 1.90 1zc1A2 PRO 129 HG3 0.17 0.02 0.08 -0.04 2.03 2.27 1zc1A2 PRO 129 HD2 0.02 0.10 0.07 -0.04 3.68 3.84 1zc1A2 PRO 129 HD3 0.05 0.16 0.25 -0.04 3.65 4.07 1zc1A2 GLN 130 H -0.16 0.18 0.19 -0.55 8.47 8.13 1zc1A2 GLN 130 HA -0.01 0.14 0.94 -0.75 4.36 4.67 1zc1A2 GLN 130 HB2 -0.01 -0.06 0.23 -0.04 2.15 2.27 1zc1A2 GLN 130 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.07 1zc1A2 GLN 130 HG2 -0.05 0.08 0.07 -0.04 2.40 2.45 1zc1A2 GLN 130 HG3 -0.08 0.09 -0.27 -0.04 2.39 2.09 1zc1A2 GLN 130 HE21 -0.05 0.04 -0.02 -0.04 6.97 6.89 1zc1A2 GLN 130 HE22 -0.04 -0.05 -0.02 -0.04 7.69 7.53 1zc1A2 SER 131 H 0.04 0.24 -0.32 -0.55 8.46 7.87 1zc1A2 SER 131 HA 0.08 0.02 0.29 -0.75 4.49 4.12 1zc1A2 SER 131 HB2 0.19 0.26 0.18 -0.04 3.95 4.53 1zc1A2 SER 131 HB3 0.14 -0.12 0.11 -0.04 3.93 4.02 1zc1A2 VAL 132 H 0.08 0.19 0.12 -0.55 8.24 8.07 1zc1A2 VAL 132 HA 0.07 0.13 0.35 -0.75 4.13 3.93 1zc1A2 VAL 132 HB 0.03 0.06 0.04 -0.04 2.12 2.21 1zc1A2 VAL 132 HG13 0.04 0.02 0.05 -0.04 0.97 1.04 1zc1A2 VAL 132 HG23 0.05 -0.02 -0.01 -0.04 0.95 0.92 1zc1A2 ASP 133 H 0.12 0.02 -0.44 -0.55 8.40 7.56 1zc1A2 ASP 133 HA 0.06 0.09 0.37 -0.75 4.63 4.40 1zc1A2 ASP 133 HB2 0.22 0.03 0.05 -0.04 2.71 2.98 1zc1A2 ASP 133 HB3 0.18 0.05 -0.01 -0.04 2.70 2.88 1zc1A2 PHE 134 H 0.27 0.38 -0.19 -0.55 8.34 8.24 1zc1A2 PHE 134 HA -0.44 0.04 0.39 -0.75 4.62 3.85 1zc1A2 PHE 134 HB2 0.03 0.07 0.18 -0.04 3.15 3.38 1zc1A2 PHE 134 HB3 -0.03 0.09 0.09 -0.04 3.06 3.17 1zc1A2 PHE 134 HD2 -0.74 0.00 -0.14 -0.04 7.28 6.37 1zc1A2 PHE 134 HE2 -0.07 -0.00 -0.09 -0.04 7.38 7.17 1zc1A2 PHE 134 HZ -0.05 0.01 -0.12 -0.04 7.32 7.11 1zc1A2 LEU 135 H 0.10 0.19 -0.35 -0.55 8.37 7.76 1zc1A2 LEU 135 HA -0.20 0.09 0.59 -0.75 4.35 4.09 1zc1A2 LEU 135 HB2 0.01 0.03 0.04 -0.04 1.64 1.68 1zc1A2 LEU 135 HB3 -0.08 0.01 0.09 -0.04 1.64 1.61 1zc1A2 LEU 135 HG 0.24 -0.06 -0.10 -0.04 1.64 1.68 1zc1A2 LEU 135 HD13 0.07 0.01 -0.05 -0.04 0.93 0.91 1zc1A2 LEU 135 HD23 -0.13 0.00 -0.05 -0.04 0.89 0.67 1zc1A2 ASP 136 H -0.07 0.18 -0.64 -0.55 8.40 7.32 1zc1A2 ASP 136 HA -0.05 0.00 0.34 -0.75 4.63 4.17 1zc1A2 ASP 136 HB2 -0.01 -0.07 0.16 -0.04 2.71 2.75 1zc1A2 ASP 136 HB3 -0.05 0.10 0.09 -0.04 2.70 2.79 1zc1A2 ILE 137 H -0.22 0.18 -0.45 -0.55 8.25 7.21 1zc1A2 ILE 137 HA -0.14 -0.04 0.33 -0.75 4.18 3.59 1zc1A2 ILE 137 HB -0.33 0.06 -0.11 -0.04 1.89 1.47 1zc1A2 ILE 137 HG12 -0.24 -0.04 -0.00 -0.04 1.49 1.16 1zc1A2 ILE 137 HG13 -0.31 0.10 0.02 -0.04 1.21 0.98 1zc1A2 ILE 137 HG23 -0.21 -0.11 -0.14 -0.04 0.93 0.42 1zc1A2 ILE 137 HD13 -0.56 -0.01 -0.00 -0.04 0.88 0.27 1zc1A2 SER 138 H -0.10 0.07 0.16 -0.55 8.46 8.04 1zc1A2 SER 138 HA -0.09 0.16 0.42 -0.75 4.49 4.23 1zc1A2 SER 138 HB2 -0.06 0.01 0.07 -0.04 3.95 3.93 1zc1A2 SER 138 HB3 -0.06 0.03 0.15 -0.04 3.93 4.01 1zc1A2 ASP 139 H -0.13 0.03 -0.26 -0.55 8.40 7.49 1zc1A2 ASP 139 HA -0.11 0.27 0.94 -0.75 4.63 4.98 1zc1A2 ASP 139 HB2 -0.09 -0.01 0.16 -0.04 2.71 2.72 1zc1A2 ASP 139 HB3 -0.08 -0.09 0.10 -0.04 2.70 2.59 1zc1A2 PRO 140 HA -0.32 0.10 0.39 -0.51 4.44 4.10 1zc1A2 PRO 140 HB2 -0.55 -0.00 -0.06 -0.04 2.28 1.62 1zc1A2 PRO 140 HB3 -0.36 0.15 0.08 -0.04 2.02 1.84 1zc1A2 PRO 140 HG2 -0.33 -0.07 0.06 -0.04 2.03 1.65 1zc1A2 PRO 140 HG3 -0.31 0.16 0.04 -0.04 2.03 1.89 1zc1A2 PRO 140 HD2 -0.16 0.10 0.17 -0.04 3.68 3.75 1zc1A2 PRO 140 HD3 -0.19 0.52 -0.30 -0.04 3.65 3.64 1zc1A2 LYS 141 H -0.14 0.21 -0.15 -0.55 8.42 7.79 1zc1A2 LYS 141 HA 0.09 0.11 0.37 -0.75 4.32 4.14 1zc1A2 LYS 141 HB2 -0.00 0.06 0.08 -0.04 1.87 1.97 1zc1A2 LYS 141 HB3 -0.03 -0.03 0.03 -0.04 1.79 1.73 1zc1A2 LYS 141 HG2 0.02 -0.00 -0.22 -0.04 1.46 1.22 1zc1A2 LYS 141 HG3 0.07 0.03 0.02 -0.04 1.46 1.54 1zc1A2 LYS 141 HD2 0.03 0.02 0.00 -0.04 1.69 1.70 1zc1A2 LYS 141 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 1zc1A2 LYS 141 HE2 0.03 0.03 -0.00 -0.04 2.99 3.00 1zc1A2 LYS 141 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 1zc1A2 ALA 142 H -0.07 0.13 -0.36 -0.55 8.40 7.55 1zc1A2 ALA 142 HA -0.02 0.08 0.38 -0.75 4.34 4.03 1zc1A2 ALA 142 HB3 -0.06 0.06 0.05 -0.04 1.41 1.41 1zc1A2 VAL 143 H -0.13 0.26 -0.27 -0.55 8.24 7.55 1zc1A2 VAL 143 HA -0.10 0.02 0.40 -0.75 4.13 3.70 1zc1A2 VAL 143 HB -0.27 0.17 0.12 -0.04 2.12 2.10 1zc1A2 VAL 143 HG13 -0.30 -0.01 -0.07 -0.04 0.97 0.54 1zc1A2 VAL 143 HG23 -0.38 -0.01 0.02 -0.04 0.95 0.54 1zc1A2 LEU 144 H 0.02 0.49 -0.19 -0.55 8.37 8.14 1zc1A2 LEU 144 HA 0.13 0.02 0.34 -0.75 4.35 4.09 1zc1A2 LEU 144 HB2 0.36 0.02 0.04 -0.04 1.64 2.02 1zc1A2 LEU 144 HB3 0.16 0.12 0.13 -0.04 1.64 2.01 1zc1A2 LEU 144 HG 0.04 -0.03 -0.10 -0.04 1.64 1.51 1zc1A2 LEU 144 HD13 0.02 -0.00 -0.30 -0.04 0.93 0.61 1zc1A2 LEU 144 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 1zc1A2 GLU 145 H 0.04 0.49 -0.23 -0.55 8.60 8.36 1zc1A2 GLU 145 HA 0.03 0.07 0.40 -0.75 4.29 4.04 1zc1A2 GLU 145 HB2 0.02 -0.00 0.12 -0.04 2.09 2.18 1zc1A2 GLU 145 HB3 0.02 0.10 0.15 -0.04 1.99 2.22 1zc1A2 GLU 145 HG2 0.02 -0.02 -0.17 -0.04 2.34 2.13 1zc1A2 GLU 145 HG3 0.02 0.15 0.09 -0.04 2.34 2.56 1zc1A2 ASN 146 H 0.03 0.40 -0.24 -0.55 8.53 8.17 1zc1A2 ASN 146 HA 0.04 0.02 0.39 -0.75 4.76 4.46 1zc1A2 ASN 146 HB2 0.03 -0.00 0.12 -0.04 2.88 2.99 1zc1A2 ASN 146 HB3 0.04 0.18 0.14 -0.04 2.79 3.11 1zc1A2 ASN 146 HD21 0.10 0.01 -0.02 -0.04 7.03 7.07 1zc1A2 ASN 146 HD22 0.10 -0.05 -0.03 -0.04 7.74 7.72 1zc1A2 VAL 147 H 0.08 0.42 -0.29 -0.55 8.24 7.89 1zc1A2 VAL 147 HA 0.16 -0.04 0.37 -0.75 4.13 3.87 1zc1A2 VAL 147 HB 0.10 0.21 0.10 -0.04 2.12 2.49 1zc1A2 VAL 147 HG13 0.15 -0.02 -0.14 -0.04 0.97 0.93 1zc1A2 VAL 147 HG23 0.14 0.07 -0.01 -0.04 0.95 1.11 1zc1A2 LEU 148 H 0.08 0.43 -0.19 -0.55 8.37 8.14 1zc1A2 LEU 148 HA 0.12 -0.02 0.36 -0.75 4.35 4.05 1zc1A2 LEU 148 HB2 0.04 0.16 0.14 -0.04 1.64 1.94 1zc1A2 LEU 148 HB3 0.04 0.16 -0.01 -0.04 1.64 1.80 1zc1A2 LEU 148 HG 0.03 0.08 -0.01 -0.04 1.64 1.70 1zc1A2 LEU 148 HD13 -0.00 -0.02 -0.13 -0.04 0.93 0.74 1zc1A2 LEU 148 HD23 -0.00 -0.02 -0.10 -0.04 0.89 0.73 1zc1A2 ARG 149 H 0.07 0.35 -0.25 -0.55 8.46 8.07 1zc1A2 ARG 149 HA 0.04 0.10 0.41 -0.75 4.34 4.13 1zc1A2 ARG 149 HB2 0.03 0.04 0.13 -0.04 1.90 2.06 1zc1A2 ARG 149 HB3 0.04 0.08 0.15 -0.04 1.80 2.02 1zc1A2 ARG 149 HG2 0.01 -0.03 -0.20 -0.04 1.67 1.41 1zc1A2 ARG 149 HG3 0.02 -0.01 0.04 -0.04 1.67 1.67 1zc1A2 ARG 149 HD2 0.02 -0.00 0.00 -0.04 3.22 3.20 1zc1A2 ARG 149 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 1zc1A2 ASN 150 H 0.07 0.39 -0.25 -0.55 8.53 8.19 1zc1A2 ASN 150 HA -0.07 -0.07 0.37 -0.75 4.76 4.23 1zc1A2 ASN 150 HB2 0.05 0.24 0.17 -0.04 2.88 3.31 1zc1A2 ASN 150 HB3 -0.28 -0.19 0.05 -0.04 2.79 2.34 1zc1A2 ASN 150 HD21 -0.05 -0.04 0.05 -0.04 7.03 6.94 1zc1A2 ASN 150 HD22 0.01 -0.06 0.01 -0.04 7.74 7.65 1zc1A2 PHE 151 H 0.23 0.43 -0.32 -0.55 8.34 8.13 1zc1A2 PHE 151 HA 0.07 -0.01 0.87 -0.75 4.62 4.80 1zc1A2 PHE 151 HB2 0.05 0.08 0.06 -0.04 3.15 3.30 1zc1A2 PHE 151 HB3 0.08 0.09 -0.02 -0.04 3.06 3.17 1zc1A2 PHE 151 HD2 0.13 0.17 0.07 -0.04 7.28 7.61 1zc1A2 PHE 151 HE2 0.40 0.00 -0.01 -0.04 7.38 7.74 1zc1A2 PHE 151 HZ -0.20 -0.00 0.07 -0.04 7.32 7.15 1zc1A2 SER 152 H 0.10 0.04 0.19 -0.55 8.46 8.24 1zc1A2 SER 152 HA 0.05 0.14 0.38 -0.75 4.49 4.31 1zc1A2 SER 152 HB2 0.05 -0.16 0.31 -0.04 3.95 4.11 1zc1A2 SER 152 HB3 0.01 0.08 0.06 -0.04 3.93 4.04 1zc1A2 THR 153 H 0.16 0.05 -0.16 -0.55 8.28 7.77 1zc1A2 THR 153 HA 0.03 0.16 0.90 -0.75 4.39 4.73 1zc1A2 THR 153 HB 0.04 -0.00 -0.19 -0.04 4.32 4.12 1zc1A2 THR 153 HG23 0.14 -0.01 -0.25 -0.04 1.22 1.06 1zc1A2 LEU 154 H -0.01 0.69 0.30 -0.55 8.37 8.81 1zc1A2 LEU 154 HA -0.03 0.16 0.94 -0.75 4.35 4.67 1zc1A2 LEU 154 HB2 -0.01 0.08 -0.12 -0.04 1.64 1.55 1zc1A2 LEU 154 HB3 -0.03 -0.07 -0.00 -0.04 1.64 1.49 1zc1A2 LEU 154 HG -0.07 -0.03 -0.38 -0.04 1.64 1.13 1zc1A2 LEU 154 HD13 -0.11 0.01 -0.07 -0.04 0.93 0.72 1zc1A2 LEU 154 HD23 -0.07 -0.03 -0.19 -0.04 0.89 0.56 1zc1A2 THR 155 H -0.04 0.27 0.15 -0.55 8.28 8.11 1zc1A2 THR 155 HA -0.09 0.15 1.06 -0.75 4.39 4.76 1zc1A2 THR 155 HB 0.06 -0.05 0.16 -0.04 4.32 4.44 1zc1A2 THR 155 HG23 0.06 0.00 0.10 -0.04 1.22 1.34 1zc1A2 VAL 156 H -0.03 0.31 0.23 -0.55 8.24 8.20 1zc1A2 VAL 156 HA -0.04 0.02 0.39 -0.75 4.13 3.75 1zc1A2 VAL 156 HB -0.00 -0.02 0.16 -0.04 2.12 2.22 1zc1A2 VAL 156 HG13 -0.01 -0.03 -0.32 -0.04 0.97 0.57 1zc1A2 VAL 156 HG23 -0.02 -0.03 0.02 -0.04 0.95 0.88 1zc1A2 ASP 157 H 0.02 0.01 -0.06 -0.55 8.40 7.82 1zc1A2 ASP 157 HA 0.02 0.13 0.46 -0.75 4.63 4.49 1zc1A2 ASP 157 HB2 0.07 -0.06 0.08 -0.04 2.71 2.76 1zc1A2 ASP 157 HB3 0.04 0.01 0.00 -0.04 2.70 2.71 1zc1A2 ASP 158 H 0.04 -0.09 -0.33 -0.55 8.40 7.47 1zc1A2 ASP 158 HA 0.06 0.02 0.51 -0.75 4.63 4.47 1zc1A2 ASP 158 HB2 0.03 -0.02 0.18 -0.04 2.71 2.85 1zc1A2 ASP 158 HB3 0.07 0.07 -0.01 -0.04 2.70 2.79 1zc1A2 VAL 159 H 0.11 0.11 0.19 -0.55 8.24 8.09 1zc1A2 VAL 159 HA -0.03 0.22 1.01 -0.75 4.13 4.57 1zc1A2 VAL 159 HB 0.03 0.06 0.02 -0.04 2.12 2.19 1zc1A2 VAL 159 HG13 0.17 -0.03 0.10 -0.04 0.97 1.16 1zc1A2 VAL 159 HG23 -0.01 -0.00 -0.21 -0.04 0.95 0.68 1zc1A2 ILE 160 H -0.16 0.54 0.32 -0.55 8.25 8.39 1zc1A2 ILE 160 HA -0.36 0.12 0.94 -0.75 4.18 4.13 1zc1A2 ILE 160 HB -1.24 0.01 0.00 -0.04 1.89 0.63 1zc1A2 ILE 160 HG12 -0.27 0.10 0.13 -0.04 1.49 1.41 1zc1A2 ILE 160 HG13 -0.22 -0.09 0.06 -0.04 1.21 0.92 1zc1A2 ILE 160 HG23 -0.90 0.01 -0.11 -0.04 0.93 -0.11 1zc1A2 ILE 160 HD13 -0.26 -0.01 -0.11 -0.04 0.88 0.47 1zc1A2 GLU 161 H -0.72 0.20 0.19 -0.55 8.60 7.73 1zc1A2 GLU 161 HA -0.13 0.31 1.16 -0.75 4.29 4.87 1zc1A2 GLU 161 HB2 -0.73 -0.03 0.07 -0.04 2.09 1.36 1zc1A2 GLU 161 HB3 -0.20 -0.02 -0.05 -0.04 1.99 1.68 1zc1A2 GLU 161 HG2 -0.11 0.00 -0.12 -0.04 2.34 2.07 1zc1A2 GLU 161 HG3 -0.23 -0.00 -0.35 -0.04 2.34 1.72 1zc1A2 ILE 162 H 0.05 0.53 0.35 -0.55 8.25 8.63 1zc1A2 ILE 162 HA 0.06 0.21 0.99 -0.75 4.18 4.69 1zc1A2 ILE 162 HB 0.15 -0.00 -0.02 -0.04 1.89 1.97 1zc1A2 ILE 162 HG12 0.20 0.07 0.05 -0.04 1.49 1.76 1zc1A2 ILE 162 HG13 0.30 -0.09 0.02 -0.04 1.21 1.40 1zc1A2 ILE 162 HG23 0.18 -0.00 -0.22 -0.04 0.93 0.85 1zc1A2 ILE 162 HD13 0.19 0.00 -0.10 -0.04 0.88 0.94 1zc1A2 SER 163 H 0.06 0.21 0.16 -0.55 8.46 8.34 1zc1A2 SER 163 HA 0.08 0.53 1.21 -0.75 4.49 5.55 1zc1A2 SER 163 HB2 -0.13 0.02 -0.10 -0.04 3.95 3.69 1zc1A2 SER 163 HB3 -0.03 -0.03 0.11 -0.04 3.93 3.94 1zc1A2 TYR 164 H 0.26 0.81 0.29 -0.55 8.29 9.10 1zc1A2 TYR 164 HA 0.04 0.13 1.00 -0.75 4.56 4.97 1zc1A2 TYR 164 HB2 0.07 0.03 -0.10 -0.04 3.06 3.02 1zc1A2 TYR 164 HB3 0.15 0.03 0.09 -0.04 2.98 3.21 1zc1A2 TYR 164 HD2 0.02 0.02 -0.11 -0.04 7.15 7.04 1zc1A2 TYR 164 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.76 1zc1A2 ASN 165 H -0.35 0.20 0.13 -0.55 8.53 7.97 1zc1A2 ASN 165 HA -0.18 0.04 0.32 -0.75 4.76 4.19 1zc1A2 ASN 165 HB2 0.06 0.18 -0.14 -0.04 2.88 2.95 1zc1A2 ASN 165 HB3 -0.04 0.02 0.22 -0.04 2.79 2.95 1zc1A2 ASN 165 HD21 0.18 0.04 -0.05 -0.04 7.03 7.15 1zc1A2 ASN 165 HD22 0.03 0.00 -0.03 -0.04 7.74 7.71 1zc1A2 GLY 166 H -0.06 0.06 -0.31 -0.55 8.43 7.57 1zc1A2 GLY 166 HA2 -0.07 -0.01 0.19 -0.51 4.01 3.60 1zc1A2 GLY 166 HA3 -0.05 0.13 0.48 -0.51 4.01 4.06 1zc1A2 LYS 167 H 0.03 0.19 -0.62 -0.55 8.42 7.47 1zc1A2 LYS 167 HA -0.10 0.17 0.91 -0.75 4.32 4.54 1zc1A2 LYS 167 HB2 0.23 0.20 0.12 -0.04 1.87 2.38 1zc1A2 LYS 167 HB3 -0.18 -0.01 -0.04 -0.04 1.79 1.53 1zc1A2 LYS 167 HG2 -0.03 -0.01 -0.06 -0.04 1.46 1.32 1zc1A2 LYS 167 HG3 0.04 0.10 -0.24 -0.04 1.46 1.33 1zc1A2 LYS 167 HD2 0.22 0.02 -0.02 -0.04 1.69 1.86 1zc1A2 LYS 167 HD3 0.13 -0.04 -0.04 -0.04 1.68 1.70 1zc1A2 LYS 167 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.94 1zc1A2 LYS 167 HE3 0.06 0.04 -0.02 -0.04 2.99 3.03 1zc1A2 THR 168 H -0.23 0.20 0.14 -0.55 8.28 7.84 1zc1A2 THR 168 HA -0.04 0.31 1.03 -0.75 4.39 4.94 1zc1A2 THR 168 HB -0.10 0.04 -0.10 -0.04 4.32 4.13 1zc1A2 THR 168 HG23 -0.24 -0.01 -0.23 -0.04 1.22 0.70 1zc1A2 PHE 169 H 0.17 0.71 0.37 -0.55 8.34 9.04 1zc1A2 PHE 169 HA 0.02 0.16 1.01 -0.75 4.62 5.05 1zc1A2 PHE 169 HB2 0.20 0.01 0.12 -0.04 3.15 3.43 1zc1A2 PHE 169 HB3 0.02 0.04 0.01 -0.04 3.06 3.09 1zc1A2 PHE 169 HD2 0.17 0.06 -0.02 -0.04 7.28 7.45 1zc1A2 PHE 169 HE2 0.13 -0.03 -0.08 -0.04 7.38 7.37 1zc1A2 PHE 169 HZ 0.07 -0.01 -0.11 -0.04 7.32 7.22 1zc1A2 LYS 170 H 0.03 0.17 0.18 -0.55 8.42 8.24 1zc1A2 LYS 170 HA -0.06 0.17 0.89 -0.75 4.32 4.57 1zc1A2 LYS 170 HB2 -0.04 -0.01 0.13 -0.04 1.87 1.91 1zc1A2 LYS 170 HB3 -0.05 0.06 -0.07 -0.04 1.79 1.69 1zc1A2 LYS 170 HG2 -0.03 0.03 -0.14 -0.04 1.46 1.28 1zc1A2 LYS 170 HG3 -0.03 -0.06 -0.13 -0.04 1.46 1.20 1zc1A2 LYS 170 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 1zc1A2 LYS 170 HD3 -0.01 0.04 -0.06 -0.04 1.68 1.61 1zc1A2 LYS 170 HE2 0.03 0.00 -0.08 -0.04 2.99 2.90 1zc1A2 LYS 170 HE3 -0.01 -0.02 -0.07 -0.04 2.99 2.86 1zc1A2 ILE 171 H -0.11 0.71 0.32 -0.55 8.25 8.61 1zc1A2 ILE 171 HA -0.18 0.21 1.00 -0.75 4.18 4.46 1zc1A2 ILE 171 HB -0.12 0.08 0.14 -0.04 1.89 1.94 1zc1A2 ILE 171 HG12 -0.38 0.01 -0.16 -0.04 1.49 0.91 1zc1A2 ILE 171 HG13 -0.15 -0.08 -0.43 -0.04 1.21 0.52 1zc1A2 ILE 171 HG23 -0.13 -0.01 -0.17 -0.04 0.93 0.58 1zc1A2 ILE 171 HD13 0.08 -0.01 -0.12 -0.04 0.88 0.79 1zc1A2 LYS 172 H -0.11 0.38 0.21 -0.55 8.42 8.35 1zc1A2 LYS 172 HA -0.07 0.22 1.08 -0.75 4.32 4.79 1zc1A2 LYS 172 HB2 -0.04 -0.04 -0.09 -0.04 1.87 1.65 1zc1A2 LYS 172 HB3 -0.05 -0.02 0.10 -0.04 1.79 1.77 1zc1A2 LYS 172 HG2 -0.03 0.05 -0.39 -0.04 1.46 1.05 1zc1A2 LYS 172 HG3 -0.02 0.12 -0.06 -0.04 1.46 1.45 1zc1A2 LYS 172 HD2 -0.01 -0.05 -0.06 -0.04 1.69 1.53 1zc1A2 LYS 172 HD3 -0.02 -0.07 -0.07 -0.04 1.68 1.48 1zc1A2 LYS 172 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.86 1zc1A2 LYS 172 HE3 -0.00 0.15 -0.04 -0.04 2.99 3.06 1zc1A2 ILE 173 H -0.07 0.40 0.18 -0.55 8.25 8.21 1zc1A2 ILE 173 HA -0.09 0.12 0.82 -0.75 4.18 4.27 1zc1A2 ILE 173 HB -0.06 0.13 0.22 -0.04 1.89 2.15 1zc1A2 ILE 173 HG12 -0.09 -0.09 -0.20 -0.04 1.49 1.06 1zc1A2 ILE 173 HG13 -0.11 -0.06 -0.16 -0.04 1.21 0.83 1zc1A2 ILE 173 HG23 -0.07 0.02 -0.20 -0.04 0.93 0.64 1zc1A2 ILE 173 HD13 -0.10 0.04 0.04 -0.04 0.88 0.81 1zc1A2 LEU 174 H -0.06 0.26 0.22 -0.55 8.37 8.25 1zc1A2 LEU 174 HA -0.02 0.11 0.44 -0.75 4.35 4.13 1zc1A2 LEU 174 HB2 -0.01 -0.07 0.08 -0.04 1.64 1.59 1zc1A2 LEU 174 HB3 0.00 -0.02 -0.02 -0.04 1.64 1.56 1zc1A2 LEU 174 HG -0.03 0.07 -0.00 -0.04 1.64 1.63 1zc1A2 LEU 174 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1zc1A2 LEU 174 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 1zc1A2 GLU 175 H -0.00 0.17 0.11 -0.55 8.60 8.34 1zc1A2 GLU 175 HA 0.01 0.15 0.59 -0.75 4.29 4.29 1zc1A2 GLU 175 HB2 0.06 -0.07 -0.06 -0.04 2.09 1.97 1zc1A2 GLU 175 HB3 0.05 0.01 -0.02 -0.04 1.99 1.98 1zc1A2 GLU 175 HG2 0.02 0.06 0.12 -0.04 2.34 2.50 1zc1A2 GLU 175 HG3 0.02 0.05 -0.55 -0.04 2.34 1.82 1zc1A2 VAL 176 H 0.03 0.29 0.19 -0.55 8.24 8.20 1zc1A2 VAL 176 HA 0.12 0.15 0.85 -0.75 4.13 4.50 1zc1A2 VAL 176 HB -0.01 0.16 0.13 -0.04 2.12 2.36 1zc1A2 VAL 176 HG13 -0.06 -0.08 -0.28 -0.04 0.97 0.50 1zc1A2 VAL 176 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.72 1zc1A2 LYS 177 H 0.14 0.75 0.29 -0.55 8.42 9.04 1zc1A2 LYS 177 HA 0.04 0.23 1.04 -0.75 4.32 4.87 1zc1A2 LYS 177 HB2 0.10 -0.08 0.26 -0.04 1.87 2.11 1zc1A2 LYS 177 HB3 0.03 -0.00 0.09 -0.04 1.79 1.87 1zc1A2 LYS 177 HG2 0.03 0.08 -0.15 -0.04 1.46 1.38 1zc1A2 LYS 177 HG3 0.08 -0.00 -0.10 -0.04 1.46 1.40 1zc1A2 LYS 177 HD2 -0.04 -0.01 -0.02 -0.04 1.69 1.59 1zc1A2 LYS 177 HD3 -0.01 0.00 -0.01 -0.04 1.68 1.62 1zc1A2 LYS 177 HE2 -0.04 0.02 -0.05 -0.04 2.99 2.87 1zc1A2 LYS 177 HE3 -0.12 0.00 -0.09 -0.04 2.99 2.75 1zc1A2 PRO 178 HA 0.01 0.13 0.64 -0.51 4.44 4.70 1zc1A2 PRO 178 HB2 -0.01 0.12 0.01 -0.04 2.28 2.36 1zc1A2 PRO 178 HB3 -0.01 0.03 -0.19 -0.04 2.02 1.80 1zc1A2 PRO 178 HG2 -0.00 -0.00 0.06 -0.04 2.03 2.04 1zc1A2 PRO 178 HG3 -0.01 0.05 -0.14 -0.04 2.03 1.89 1zc1A2 PRO 178 HD2 0.01 -0.03 0.28 -0.04 3.68 3.90 1zc1A2 PRO 178 HD3 0.02 0.51 0.19 -0.04 3.65 4.33 1zc1A2 GLU 179 H 0.01 0.10 -0.01 -0.55 8.60 8.15 1zc1A2 GLU 179 HA 0.01 0.00 0.29 -0.75 4.29 3.84 1zc1A2 GLU 179 HB2 0.01 0.29 -0.12 -0.04 2.09 2.23 1zc1A2 GLU 179 HB3 0.01 -0.02 0.22 -0.04 1.99 2.16 1zc1A2 GLU 179 HG2 0.01 -0.08 -0.22 -0.04 2.34 2.01 1zc1A2 GLU 179 HG3 0.01 0.04 -0.08 -0.04 2.34 2.27 1zc1A2 SER 180 H 0.01 0.08 -0.24 -0.55 8.46 7.76 1zc1A2 SER 180 HA 0.01 0.19 0.83 -0.75 4.49 4.76 1zc1A2 SER 180 HB2 0.00 -0.07 0.12 -0.04 3.95 3.96 1zc1A2 SER 180 HB3 0.00 0.24 -0.14 -0.04 3.93 3.99 1zc1A2 SER 181 H 0.01 0.22 0.16 -0.55 8.46 8.31 1zc1A2 SER 181 HA 0.01 0.11 0.43 -0.75 4.49 4.30 1zc1A2 SER 181 HB2 0.02 -0.01 0.13 -0.04 3.95 4.04 1zc1A2 SER 181 HB3 0.02 0.06 0.01 -0.04 3.93 3.98 1zc1A2 SER 182 H 0.02 0.07 -0.11 -0.55 8.46 7.89 1zc1A2 SER 182 HA 0.04 0.11 0.33 -0.75 4.49 4.22 1zc1A2 SER 182 HB2 0.06 0.05 -0.01 -0.04 3.95 4.01 1zc1A2 SER 182 HB3 0.04 0.01 0.05 -0.04 3.93 3.98 1zc1A2 LYS 183 H 0.00 0.14 -0.73 -0.55 8.42 7.28 1zc1A2 LYS 183 HA -0.01 0.02 0.27 -0.75 4.32 3.85 1zc1A2 LYS 183 HB2 0.01 0.21 -0.13 -0.04 1.87 1.92 1zc1A2 LYS 183 HB3 0.00 -0.11 0.27 -0.04 1.79 1.91 1zc1A2 LYS 183 HG2 0.01 -0.06 0.09 -0.04 1.46 1.46 1zc1A2 LYS 183 HG3 0.01 0.13 -0.03 -0.04 1.46 1.53 1zc1A2 LYS 183 HD2 0.02 0.13 -0.03 -0.04 1.69 1.77 1zc1A2 LYS 183 HD3 0.02 -0.06 0.03 -0.04 1.68 1.62 1zc1A2 LYS 183 HE2 0.01 -0.05 0.04 -0.04 2.99 2.96 1zc1A2 LYS 183 HE3 0.01 0.00 0.05 -0.04 2.99 3.02 1zc1A2 SER 184 H -0.05 0.05 -0.25 -0.55 8.46 7.67 1zc1A2 SER 184 HA -0.14 0.13 0.97 -0.75 4.49 4.70 1zc1A2 SER 184 HB2 -0.41 0.08 -0.21 -0.04 3.95 3.37 1zc1A2 SER 184 HB3 -0.16 -0.07 -0.15 -0.04 3.93 3.51 1zc1A2 ILE 185 H -0.10 0.65 0.28 -0.55 8.25 8.53 1zc1A2 ILE 185 HA -0.04 0.27 0.85 -0.75 4.18 4.51 1zc1A2 ILE 185 HB -0.03 -0.10 -0.07 -0.04 1.89 1.64 1zc1A2 ILE 185 HG12 -0.06 0.05 0.01 -0.04 1.49 1.45 1zc1A2 ILE 185 HG13 -0.05 -0.04 -0.04 -0.04 1.21 1.04 1zc1A2 ILE 185 HG23 -0.03 0.01 -0.27 -0.04 0.93 0.61 1zc1A2 ILE 185 HD13 -0.06 -0.02 -0.21 -0.04 0.88 0.55 1zc1A2 CYS 186 H -0.03 0.23 -0.13 -0.55 8.50 8.03 1zc1A2 CYS 186 HA -0.01 0.11 0.84 -0.75 4.58 4.78 1zc1A2 CYS 186 HB2 -0.02 -0.04 -0.16 -0.04 2.97 2.71 1zc1A2 CYS 186 HB3 -0.02 0.07 0.10 -0.04 2.97 3.08 1zc1A2 VAL 187 H 0.00 0.28 -0.06 -0.55 8.24 7.91 1zc1A2 VAL 187 HA -0.00 0.08 0.93 -0.75 4.13 4.39 1zc1A2 VAL 187 HB -0.01 -0.01 -0.21 -0.04 2.12 1.84 1zc1A2 VAL 187 HG13 -0.01 0.05 -0.08 -0.04 0.97 0.89 1zc1A2 VAL 187 HG23 -0.00 -0.01 -0.23 -0.04 0.95 0.67 1zc1A2 ILE 188 H 0.01 0.10 0.07 -0.55 8.25 7.88 1zc1A2 ILE 188 HA 0.03 0.28 0.48 -0.75 4.18 4.22 1zc1A2 ILE 188 HB 0.02 -0.19 0.16 -0.04 1.89 1.84 1zc1A2 ILE 188 HG12 0.03 0.09 0.01 -0.04 1.49 1.58 1zc1A2 ILE 188 HG13 0.01 -0.03 -0.00 -0.04 1.21 1.16 1zc1A2 ILE 188 HG23 0.03 0.02 -0.07 -0.04 0.93 0.87 1zc1A2 ILE 188 HD13 0.03 0.00 0.07 -0.04 0.88 0.94 1zc1A2 GLU 189 H 0.01 -0.03 0.05 -0.55 8.60 8.09 1zc1A2 GLU 189 HA 0.02 0.24 0.70 -0.75 4.29 4.50 1zc1A2 GLU 189 HB2 0.01 -0.13 0.18 -0.04 2.09 2.10 1zc1A2 GLU 189 HB3 0.01 0.06 0.01 -0.04 1.99 2.03 1zc1A2 GLU 189 HG2 0.02 0.07 -0.03 -0.04 2.34 2.35 1zc1A2 GLU 189 HG3 0.02 -0.03 -0.03 -0.04 2.34 2.26 1zc1A2 THR 190 H 0.01 0.05 0.04 -0.55 8.28 7.82 1zc1A2 THR 190 HA 0.00 0.20 0.43 -0.75 4.39 4.27 1zc1A2 THR 190 HB 0.01 0.15 -0.21 -0.04 4.32 4.23 1zc1A2 THR 190 HG23 0.01 -0.00 -0.08 -0.04 1.22 1.11 1zc1A2 ASP 191 H 0.00 0.07 0.02 -0.55 8.40 7.94 1zc1A2 ASP 191 HA 0.00 0.19 0.63 -0.75 4.63 4.70 1zc1A2 ASP 191 HB2 -0.00 -0.05 0.11 -0.04 2.71 2.72 1zc1A2 ASP 191 HB3 0.00 0.10 0.17 -0.04 2.70 2.93 1zc1A2 LEU 192 H -0.01 0.01 -0.51 -0.55 8.37 7.32 1zc1A2 LEU 192 HA -0.02 0.47 0.78 -0.75 4.35 4.83 1zc1A2 LEU 192 HB2 -0.02 -0.06 -0.23 -0.04 1.64 1.29 1zc1A2 LEU 192 HB3 -0.04 -0.02 -0.13 -0.04 1.64 1.42 1zc1A2 LEU 192 HG -0.09 0.07 -0.60 -0.04 1.64 0.97 1zc1A2 LEU 192 HD13 -0.03 -0.03 -0.37 -0.04 0.93 0.45 1zc1A2 LEU 192 HD23 -0.07 -0.01 -0.26 -0.04 0.89 0.51 1zc1A2 VAL 193 H -0.03 0.24 -0.24 -0.55 8.24 7.66 1zc1A2 VAL 193 HA -0.05 0.09 0.69 -0.75 4.13 4.11 1zc1A2 VAL 193 HB 0.02 0.15 0.28 -0.04 2.12 2.52 1zc1A2 VAL 193 HG13 0.02 -0.03 -0.02 -0.04 0.97 0.90 1zc1A2 VAL 193 HG23 0.03 -0.02 -0.01 -0.04 0.95 0.91 1zc1A2 THR 194 H -0.10 0.16 0.16 -0.55 8.28 7.94 1zc1A2 THR 194 HA -0.39 0.28 0.91 -0.75 4.39 4.44 1zc1A2 THR 194 HB -0.42 0.02 -0.03 -0.04 4.32 3.84 1zc1A2 THR 194 HG23 -0.14 0.00 -0.24 -0.04 1.22 0.79 1zc1A2 ASP 195 H -0.47 0.44 0.36 -0.55 8.40 8.18 1zc1A2 ASP 195 HA -0.08 0.13 0.93 -0.75 4.63 4.86 1zc1A2 ASP 195 HB2 -0.31 0.01 -0.11 -0.04 2.71 2.25 1zc1A2 ASP 195 HB3 -0.19 -0.06 0.10 -0.04 2.70 2.51 1zc1A2 PHE 196 H 0.18 0.15 0.17 -0.55 8.34 8.29 1zc1A2 PHE 196 HA -0.02 0.28 1.04 -0.75 4.62 5.17 1zc1A2 PHE 196 HB2 0.00 -0.04 0.10 -0.04 3.15 3.18 1zc1A2 PHE 196 HB3 0.01 0.08 -0.00 -0.04 3.06 3.10 1zc1A2 PHE 196 HD2 0.02 0.03 -0.06 -0.04 7.28 7.22 1zc1A2 PHE 196 HE2 0.07 -0.00 -0.13 -0.04 7.38 7.28 1zc1A2 PHE 196 HZ 0.02 -0.01 -0.16 -0.04 7.32 7.13 1zc1A2 ALA 197 H 0.10 0.33 0.29 -0.55 8.40 8.57 1zc1A2 ALA 197 HA 0.07 0.17 0.90 -0.75 4.34 4.73 1zc1A2 ALA 197 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 1zc1A2 PRO 198 HA 0.04 0.05 0.36 -0.51 4.44 4.39 1zc1A2 PRO 198 HB2 0.02 0.02 -0.05 -0.04 2.28 2.23 1zc1A2 PRO 198 HB3 0.03 0.00 0.08 -0.04 2.02 2.09 1zc1A2 PRO 198 HG2 0.02 0.02 0.10 -0.04 2.03 2.13 1zc1A2 PRO 198 HG3 0.02 0.02 0.08 -0.04 2.03 2.11 1zc1A2 PRO 198 HD2 0.04 0.08 0.22 -0.04 3.68 3.98 1zc1A2 PRO 198 HD3 0.04 0.13 0.17 -0.04 3.65 3.95 1zc1A2 PRO 199 HA 0.01 0.44 0.45 -0.51 4.44 4.83 1zc1A2 PRO 199 HB2 0.04 -0.27 -0.46 -0.04 2.28 1.56 1zc1A2 PRO 199 HB3 0.04 -0.01 -0.44 -0.04 2.02 1.58 1zc1A2 PRO 199 HG2 0.05 -0.14 -0.17 -0.04 2.03 1.73 1zc1A2 PRO 199 HG3 0.07 0.06 -0.23 -0.04 2.03 1.88 1zc1A2 PRO 199 HD2 0.04 0.03 0.14 -0.04 3.68 3.84 1zc1A2 PRO 199 HD3 0.06 0.24 0.15 -0.04 3.65 4.05 1zc1A2 VAL 200 H -0.01 0.39 0.27 -0.55 8.24 8.34 1zc1A2 VAL 200 HA 0.00 0.08 0.69 -0.75 4.13 4.14 1zc1A2 VAL 200 HB -0.01 0.05 0.06 -0.04 2.12 2.18 1zc1A2 VAL 200 HG13 -0.03 0.01 0.11 -0.04 0.97 1.01 1zc1A2 VAL 200 HG23 -0.03 -0.03 -0.02 -0.04 0.95 0.83 1zc1A2 GLY 201 H -0.01 0.15 0.04 -0.55 8.43 8.06 1zc1A2 GLY 201 HA2 -0.11 0.23 0.87 -0.51 4.01 4.48 1zc1A2 GLY 201 HA3 0.02 -0.10 0.40 -0.51 4.01 3.82 1zc1A2 TYR 202 H 0.18 0.11 0.17 -0.55 8.29 8.19 1zc1A2 TYR 202 HA 0.01 0.20 0.88 -0.75 4.56 4.89 1zc1A2 TYR 202 HB2 0.01 -0.04 0.15 -0.04 3.06 3.14 1zc1A2 TYR 202 HB3 0.01 0.05 -0.04 -0.04 2.98 2.96 1zc1A2 TYR 202 HD2 0.01 -0.02 0.02 -0.04 7.15 7.12 1zc1A2 TYR 202 HE2 0.01 0.01 -0.01 -0.04 6.85 6.81 1zc1A2 VAL 203 H 0.08 0.24 0.15 -0.55 8.24 8.16 1zc1A2 VAL 203 HA 0.06 0.15 0.95 -0.75 4.13 4.53 1zc1A2 VAL 203 HB 0.03 0.02 0.11 -0.04 2.12 2.23 1zc1A2 VAL 203 HG13 0.03 0.00 -0.17 -0.04 0.97 0.79 1zc1A2 VAL 203 HG23 0.02 0.03 -0.18 -0.04 0.95 0.78 1zc1A2 GLU 204 H 0.05 0.17 0.09 -0.55 8.60 8.37 1zc1A2 GLU 204 HA 0.05 0.22 0.84 -0.75 4.29 4.65 1zc1A2 GLU 204 HB2 0.03 -0.03 0.10 -0.04 2.09 2.15 1zc1A2 GLU 204 HB3 0.03 0.07 -0.04 -0.04 1.99 2.01 1zc1A2 GLU 204 HG2 0.06 -0.09 -0.25 -0.04 2.34 2.02 1zc1A2 GLU 204 HG3 0.03 -0.00 -0.04 -0.04 2.34 2.28 1zc1A2 PRO 205 HA 0.03 0.03 0.47 -0.51 4.44 4.46 1zc1A2 PRO 205 HB2 0.06 0.03 -0.03 -0.04 2.28 2.30 1zc1A2 PRO 205 HB3 0.04 0.03 0.06 -0.04 2.02 2.11 1zc1A2 PRO 205 HG2 0.07 0.00 0.15 -0.04 2.03 2.21 1zc1A2 PRO 205 HG3 0.05 0.05 0.09 -0.04 2.03 2.17 1zc1A2 PRO 205 HD2 0.05 0.05 0.24 -0.04 3.68 3.98 1zc1A2 PRO 205 HD3 0.05 0.28 0.23 -0.04 3.65 4.16 1zc1A2 ASP 206 H 0.02 0.15 0.21 -0.55 8.40 8.23 1zc1A2 ASP 206 HA -0.04 0.13 0.77 -0.75 4.63 4.74 1zc1A2 ASP 206 HB2 -0.03 -0.02 0.12 -0.04 2.71 2.73 1zc1A2 ASP 206 HB3 -0.12 0.02 -0.07 -0.04 2.70 2.49 1zc1A2 TYR 207 H -0.30 0.18 0.13 -0.55 8.29 7.75 1zc1A2 TYR 207 HA 0.01 0.14 0.81 -0.75 4.56 4.77 1zc1A2 TYR 207 HB2 0.01 0.03 0.00 -0.04 3.06 3.06 1zc1A2 TYR 207 HB3 0.01 0.03 0.00 -0.04 2.98 2.98 1zc1A2 TYR 207 HD2 0.01 0.04 -0.00 -0.04 7.15 7.15 1zc1A2 TYR 207 HE2 0.00 0.00 0.04 -0.04 6.85 6.85 1zc1A2 LYS 208 H 0.07 0.22 0.06 -0.55 8.42 8.21 1zc1A2 LYS 208 HA -0.02 0.24 0.69 -0.75 4.32 4.48 1zc1A2 LYS 208 HB2 -0.02 0.03 -0.09 -0.04 1.87 1.74 1zc1A2 LYS 208 HB3 0.01 0.02 0.07 -0.04 1.79 1.85 1zc1A2 LYS 208 HG2 0.01 -0.00 0.04 -0.04 1.46 1.46 1zc1A2 LYS 208 HG3 -0.01 0.02 0.03 -0.04 1.46 1.45 1zc1A2 LYS 208 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.63 1zc1A2 LYS 208 HD3 0.00 0.00 0.01 -0.04 1.68 1.65 1zc1A2 LYS 208 HE2 0.00 -0.00 0.01 -0.04 2.99 2.96 1zc1A2 LYS 208 HE3 -0.01 0.00 0.00 -0.04 2.99 2.95