============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 11 0.840 8.551 41.649 31.419 -99.200 -91.000 HIS 14 0.900 9.402 34.828 20.502 -99.200 -91.000 PHE 16 1.000 14.495 37.576 20.254 -99.200 -91.000 PHE 38 1.000 12.335 42.582 1.401 -99.200 -91.000 PHE 43 1.000 20.594 46.278 3.630 -99.200 -91.000 TRP 50 1.040 29.139 49.448 6.702 -99.200 -91.000 TRP6 50 1.020 27.323 50.449 7.871 -99.200 -91.000 TYR 56 0.840 30.925 50.344 15.486 -99.200 -91.000 TYR 64 0.840 9.144 39.396 9.340 -99.200 -91.000 TYR 85 0.840 5.469 44.734 0.208 -99.200 -91.000 TRP 88 1.040 5.726 46.271 7.489 -99.200 -91.000 TRP6 88 1.020 5.677 47.849 5.685 -99.200 -91.000 PHE 91 1.000 7.436 43.126 13.521 -99.200 -91.000 TYR 106 0.840 22.830 37.601 23.133 -99.200 -91.000 HIS 109 0.900 24.263 40.166 29.285 -99.200 -91.000 TYR 112 0.840 29.910 39.542 20.858 -99.200 -91.000 TYR 122 0.840 19.966 49.445 7.404 -99.200 -91.000 PHE 130 1.000 10.556 58.576 17.088 -99.200 -91.000 TYR 137 0.840 13.621 49.459 25.761 -99.200 -91.000 TYR 144 0.840 21.116 53.731 7.177 -99.200 -91.000 TYR 145 0.840 16.307 52.999 3.669 -99.200 -91.000 HIS 161 0.900 20.007 57.643 26.760 -99.200 -91.000 PHE 165 1.000 15.319 58.185 13.625 -99.200 -91.000 HIS 166 0.900 21.533 58.329 7.958 -99.200 -91.000 HIS 172 0.900 7.355 59.732 -4.008 -99.200 -91.000 PHE 173 1.000 7.031 52.505 2.125 -99.200 -91.000 PHE 186 1.000 11.954 62.507 14.231 -99.200 -91.000 HIS 195 0.900 21.975 64.371 8.570 -99.200 -91.000 TRP 196 1.040 14.583 65.505 5.639 -99.200 -91.000 TRP6 196 1.020 12.735 64.015 5.559 -99.200 -91.000 TYR 197 0.840 20.937 61.072 3.320 -99.200 -91.000 HIS 202 0.900 11.548 52.401 2.282 -99.200 -91.000 PHE 204 1.000 19.381 56.600 1.561 -99.200 -91.000 TYR 212 0.840 23.930 51.388 -3.865 -99.200 -91.000 PHE 227 1.000 23.890 58.965 16.320 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zicA1 MET 1 HA 0.02 -0.08 0.22 -0.75 4.52 3.92 1zicA1 MET 1 HB2 0.00 0.03 -0.02 -0.04 2.15 2.12 1zicA1 MET 1 HB3 0.00 -0.05 0.02 -0.04 2.03 1.97 1zicA1 MET 1 HG2 -0.00 -0.01 -0.27 -0.04 2.63 2.30 1zicA1 MET 1 HG3 -0.01 -0.01 -0.09 -0.04 2.56 2.41 1zicA1 MET 1 HE3 -0.01 -0.03 -0.13 -0.04 2.10 1.89 1zicA1 LEU 2 H 0.02 0.20 0.13 -0.55 8.37 8.18 1zicA1 LEU 2 HA 0.02 0.13 0.68 -0.75 4.35 4.43 1zicA1 LEU 2 HB2 0.03 -0.02 -0.08 -0.04 1.64 1.52 1zicA1 LEU 2 HB3 0.03 0.05 -0.05 -0.04 1.64 1.62 1zicA1 LEU 2 HG 0.04 0.04 -0.38 -0.04 1.64 1.30 1zicA1 LEU 2 HD13 0.06 -0.05 -0.04 -0.04 0.93 0.86 1zicA1 LEU 2 HD23 0.04 0.02 -0.21 -0.04 0.89 0.70 1zicA1 THR 3 H 0.02 0.57 0.38 -0.55 8.28 8.70 1zicA1 THR 3 HA 0.01 0.08 0.75 -0.75 4.39 4.48 1zicA1 THR 3 HB 0.03 0.07 0.27 -0.04 4.32 4.65 1zicA1 THR 3 HG23 0.03 0.06 -0.02 -0.04 1.22 1.25 1zicA1 GLU 4 H 0.01 0.14 0.21 -0.55 8.60 8.42 1zicA1 GLU 4 HA 0.01 -0.01 0.37 -0.75 4.29 3.91 1zicA1 GLU 4 HB2 0.01 0.01 0.14 -0.04 2.09 2.22 1zicA1 GLU 4 HB3 0.01 0.02 0.04 -0.04 1.99 2.02 1zicA1 GLU 4 HG2 0.01 -0.01 0.06 -0.04 2.34 2.36 1zicA1 GLU 4 HG3 0.01 0.04 0.13 -0.04 2.34 2.48 1zicA1 GLY 5 H 0.00 0.10 0.15 -0.55 8.43 8.15 1zicA1 GLY 5 HA2 0.00 -0.01 0.34 -0.51 4.01 3.83 1zicA1 GLY 5 HA3 0.01 0.14 0.54 -0.51 4.01 4.19 1zicA1 ILE 6 H 0.01 0.38 -0.30 -0.55 8.25 7.78 1zicA1 ILE 6 HA 0.02 0.13 0.57 -0.75 4.18 4.15 1zicA1 ILE 6 HB -0.00 0.03 0.21 -0.04 1.89 2.09 1zicA1 ILE 6 HG12 0.04 0.10 -0.13 -0.04 1.49 1.46 1zicA1 ILE 6 HG13 0.06 -0.08 -0.01 -0.04 1.21 1.14 1zicA1 ILE 6 HG23 -0.07 -0.01 -0.20 -0.04 0.93 0.61 1zicA1 ILE 6 HD13 0.14 0.01 -0.08 -0.04 0.88 0.91 1zicA1 SER 7 H -0.06 0.28 0.20 -0.55 8.46 8.33 1zicA1 SER 7 HA -0.20 0.20 0.69 -0.75 4.49 4.42 1zicA1 SER 7 HB2 -0.08 -0.01 -0.24 -0.04 3.95 3.59 1zicA1 SER 7 HB3 -0.08 0.02 0.03 -0.04 3.93 3.86 1zicA1 ILE 8 H -0.59 0.52 0.33 -0.55 8.25 7.96 1zicA1 ILE 8 HA -0.36 0.16 0.80 -0.75 4.18 4.03 1zicA1 ILE 8 HB -1.47 -0.03 -0.02 -0.04 1.89 0.33 1zicA1 ILE 8 HG12 -1.35 0.10 -0.18 -0.04 1.49 0.02 1zicA1 ILE 8 HG13 -0.69 -0.11 -0.52 -0.04 1.21 -0.15 1zicA1 ILE 8 HG23 -0.30 0.01 -0.26 -0.04 0.93 0.34 1zicA1 ILE 8 HD13 -0.37 -0.01 -0.17 -0.04 0.88 0.28 1zicA1 GLN 9 H -0.19 0.24 0.12 -0.55 8.47 8.09 1zicA1 GLN 9 HA -0.19 0.28 1.06 -0.75 4.36 4.76 1zicA1 GLN 9 HB2 -0.10 -0.04 -0.12 -0.04 2.15 1.85 1zicA1 GLN 9 HB3 -0.05 -0.01 0.03 -0.04 2.02 1.94 1zicA1 GLN 9 HG2 -0.01 0.21 -0.29 -0.04 2.40 2.27 1zicA1 GLN 9 HG3 -0.04 0.11 -0.32 -0.04 2.39 2.09 1zicA1 GLN 9 HE21 -0.03 -0.06 -0.02 -0.04 6.97 6.82 1zicA1 GLN 9 HE22 -0.03 0.31 0.02 -0.04 7.69 7.95 1zicA1 SER 10 H 0.12 0.80 0.19 -0.55 8.46 9.03 1zicA1 SER 10 HA 0.19 0.13 0.53 -0.75 4.49 4.58 1zicA1 SER 10 HB2 0.50 0.09 0.02 -0.04 3.95 4.52 1zicA1 SER 10 HB3 0.26 -0.16 0.03 -0.04 3.93 4.01 1zicA1 TYR 11 H 0.22 0.18 0.13 -0.55 8.29 8.27 1zicA1 TYR 11 HA 0.03 0.15 0.40 -0.75 4.56 4.38 1zicA1 TYR 11 HB2 0.01 0.07 0.13 -0.04 3.06 3.23 1zicA1 TYR 11 HB3 0.03 -0.08 0.11 -0.04 2.98 2.99 1zicA1 TYR 11 HD2 0.02 -0.01 -0.13 -0.04 7.15 6.98 1zicA1 TYR 11 HE2 0.02 0.01 -0.04 -0.04 6.85 6.80 1zicA1 ASP 12 H 0.20 0.00 -0.27 -0.55 8.40 7.79 1zicA1 ASP 12 HA 0.01 0.23 0.59 -0.75 4.63 4.70 1zicA1 ASP 12 HB2 0.09 0.05 0.15 -0.04 2.71 2.96 1zicA1 ASP 12 HB3 0.17 -0.02 0.05 -0.04 2.70 2.87 1zicA1 GLY 13 H 0.03 0.60 -0.60 -0.55 8.43 7.91 1zicA1 GLY 13 HA2 -0.01 0.06 0.24 -0.51 4.01 3.79 1zicA1 GLY 13 HA3 0.01 0.13 0.65 -0.51 4.01 4.29 1zicA1 HIS 14 H 0.19 -0.04 -0.36 -0.55 8.41 7.66 1zicA1 HIS 14 HA 0.06 0.08 0.40 -0.75 4.63 4.42 1zicA1 HIS 14 HB2 0.07 0.04 0.03 -0.04 3.26 3.37 1zicA1 HIS 14 HB3 0.11 -0.13 0.05 -0.04 3.20 3.19 1zicA1 HIS 14 HD2 0.18 -0.08 -0.20 -0.04 6.97 6.82 1zicA1 HIS 14 HE1 0.10 0.11 -0.28 -0.04 7.75 7.64 1zicA1 THR 15 H -0.25 0.15 0.23 -0.55 8.28 7.86 1zicA1 THR 15 HA -0.32 0.38 1.11 -0.75 4.39 4.81 1zicA1 THR 15 HB -0.21 -0.02 0.01 -0.04 4.32 4.05 1zicA1 THR 15 HG23 -0.11 0.03 -0.13 -0.04 1.22 0.97 1zicA1 PHE 16 H -0.64 0.58 0.39 -0.55 8.34 8.12 1zicA1 PHE 16 HA -0.10 0.10 0.85 -0.75 4.62 4.71 1zicA1 PHE 16 HB2 0.03 -0.02 0.11 -0.04 3.15 3.23 1zicA1 PHE 16 HB3 0.03 0.03 -0.17 -0.04 3.06 2.90 1zicA1 PHE 16 HD2 -0.10 0.04 -0.31 -0.04 7.28 6.87 1zicA1 PHE 16 HE2 0.00 -0.03 -0.16 -0.04 7.38 7.15 1zicA1 PHE 16 HZ -0.00 0.16 -0.09 -0.04 7.32 7.35 1zicA1 GLY 17 H 0.13 0.02 0.21 -0.55 8.43 8.25 1zicA1 GLY 17 HA2 -0.05 0.44 0.63 -0.51 4.01 4.52 1zicA1 GLY 17 HA3 0.03 0.00 0.41 -0.51 4.01 3.94 1zicA1 ALA 18 H 0.00 0.41 0.25 -0.55 8.40 8.52 1zicA1 ALA 18 HA 0.06 0.15 0.52 -0.75 4.34 4.31 1zicA1 ALA 18 HB3 0.00 0.02 -0.29 -0.04 1.41 1.10 1zicA1 LEU 19 H 0.02 0.62 0.30 -0.55 8.37 8.77 1zicA1 LEU 19 HA 0.01 -0.06 0.86 -0.75 4.35 4.40 1zicA1 LEU 19 HB2 0.00 0.28 0.18 -0.04 1.64 2.06 1zicA1 LEU 19 HB3 -0.00 -0.08 0.19 -0.04 1.64 1.71 1zicA1 LEU 19 HG -0.01 0.03 -0.28 -0.04 1.64 1.33 1zicA1 LEU 19 HD13 -0.00 0.01 -0.17 -0.04 0.93 0.73 1zicA1 LEU 19 HD23 -0.03 0.02 -0.15 -0.04 0.89 0.69 1zicA1 VAL 20 H 0.01 0.17 0.18 -0.55 8.24 8.06 1zicA1 VAL 20 HA 0.01 0.37 1.10 -0.75 4.13 4.86 1zicA1 VAL 20 HB 0.05 -0.04 0.05 -0.04 2.12 2.14 1zicA1 VAL 20 HG13 0.04 0.02 -0.21 -0.04 0.97 0.78 1zicA1 VAL 20 HG23 0.13 -0.01 -0.23 -0.04 0.95 0.80 1zicA1 GLY 21 H -0.09 0.67 0.33 -0.55 8.43 8.80 1zicA1 GLY 21 HA2 -0.08 0.12 0.78 -0.51 4.01 4.33 1zicA1 GLY 21 HA3 -0.08 0.01 0.30 -0.51 4.01 3.73 1zicA1 SER 22 H -0.13 0.16 0.11 -0.55 8.46 8.05 1zicA1 SER 22 HA -0.47 0.14 0.77 -0.75 4.49 4.18 1zicA1 SER 22 HB2 -0.16 -0.10 -0.00 -0.04 3.95 3.65 1zicA1 SER 22 HB3 -0.08 0.03 -0.02 -0.04 3.93 3.81 1zicA1 PRO 23 HA -0.07 0.04 0.54 -0.51 4.44 4.44 1zicA1 PRO 23 HB2 -0.08 -0.09 -0.03 -0.04 2.28 2.04 1zicA1 PRO 23 HB3 -0.09 0.17 -0.04 -0.04 2.02 2.02 1zicA1 PRO 23 HG2 -0.07 0.15 -0.26 -0.04 2.03 1.82 1zicA1 PRO 23 HG3 -0.10 0.12 -0.53 -0.04 2.03 1.47 1zicA1 PRO 23 HD2 -0.16 0.02 0.08 -0.04 3.68 3.58 1zicA1 PRO 23 HD3 -0.16 0.16 -0.05 -0.04 3.65 3.56 1zicA1 ALA 24 H -0.04 0.13 0.12 -0.55 8.40 8.06 1zicA1 ALA 24 HA -0.02 0.06 0.32 -0.75 4.34 3.95 1zicA1 ALA 24 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.41 1zicA1 LYS 25 H -0.05 0.06 -0.22 -0.55 8.42 7.66 1zicA1 LYS 25 HA -0.02 0.15 0.91 -0.75 4.32 4.60 1zicA1 LYS 25 HB2 -0.06 0.03 0.12 -0.04 1.87 1.92 1zicA1 LYS 25 HB3 -0.04 0.07 -0.02 -0.04 1.79 1.77 1zicA1 LYS 25 HG2 -0.03 0.03 -0.11 -0.04 1.46 1.31 1zicA1 LYS 25 HG3 -0.04 -0.12 -0.07 -0.04 1.46 1.19 1zicA1 LYS 25 HD2 -0.04 0.03 -0.00 -0.04 1.69 1.64 1zicA1 LYS 25 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.63 1zicA1 LYS 25 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1zicA1 LYS 25 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.87 1zicA1 ALA 26 H -0.01 0.23 0.16 -0.55 8.40 8.23 1zicA1 ALA 26 HA -0.01 0.23 0.47 -0.75 4.34 4.27 1zicA1 ALA 26 HB3 0.05 0.01 -0.04 -0.04 1.41 1.39 1zicA1 PRO 27 HA 0.04 0.18 0.34 -0.51 4.44 4.48 1zicA1 PRO 27 HB2 -0.00 0.01 -0.45 -0.04 2.28 1.80 1zicA1 PRO 27 HB3 -0.00 0.11 -0.09 -0.04 2.02 2.00 1zicA1 PRO 27 HG2 -0.02 -0.02 -0.05 -0.04 2.03 1.90 1zicA1 PRO 27 HG3 -0.01 0.01 0.05 -0.04 2.03 2.03 1zicA1 PRO 27 HD2 -0.02 0.05 0.03 -0.04 3.68 3.70 1zicA1 PRO 27 HD3 -0.01 0.05 0.36 -0.04 3.65 4.01 1zicA1 ALA 28 H 0.05 0.68 0.36 -0.55 8.40 8.95 1zicA1 ALA 28 HA -0.06 0.11 0.83 -0.75 4.34 4.46 1zicA1 ALA 28 HB3 -0.07 0.08 0.09 -0.04 1.41 1.46 1zicA1 PRO 29 HA 0.04 0.08 0.62 -0.51 4.44 4.67 1zicA1 PRO 29 HB2 0.17 -0.05 -0.15 -0.04 2.28 2.20 1zicA1 PRO 29 HB3 0.04 0.23 -0.04 -0.04 2.02 2.21 1zicA1 PRO 29 HG2 -0.12 -0.03 -0.01 -0.04 2.03 1.83 1zicA1 PRO 29 HG3 -0.06 0.05 -0.32 -0.04 2.03 1.66 1zicA1 PRO 29 HD2 -0.18 0.22 0.33 -0.04 3.68 4.01 1zicA1 PRO 29 HD3 -0.07 0.10 0.21 -0.04 3.65 3.85 1zicA1 VAL 30 H 0.07 0.55 0.39 -0.55 8.24 8.70 1zicA1 VAL 30 HA 0.10 0.17 0.90 -0.75 4.13 4.54 1zicA1 VAL 30 HB 0.09 0.03 0.12 -0.04 2.12 2.32 1zicA1 VAL 30 HG13 0.15 -0.05 -0.31 -0.04 0.97 0.72 1zicA1 VAL 30 HG23 0.20 0.01 -0.03 -0.04 0.95 1.09 1zicA1 ILE 31 H 0.04 0.74 0.28 -0.55 8.25 8.76 1zicA1 ILE 31 HA 0.00 0.20 1.01 -0.75 4.18 4.64 1zicA1 ILE 31 HB -0.07 -0.03 0.10 -0.04 1.89 1.85 1zicA1 ILE 31 HG12 -0.04 0.11 -0.18 -0.04 1.49 1.34 1zicA1 ILE 31 HG13 -0.51 -0.03 -0.15 -0.04 1.21 0.48 1zicA1 ILE 31 HG23 -0.07 -0.03 -0.33 -0.04 0.93 0.47 1zicA1 ILE 31 HD13 -0.12 0.01 -0.27 -0.04 0.88 0.46 1zicA1 VAL 32 H 0.03 0.70 0.36 -0.55 8.24 8.78 1zicA1 VAL 32 HA 0.05 0.22 0.87 -0.75 4.13 4.53 1zicA1 VAL 32 HB 0.05 -0.00 0.22 -0.04 2.12 2.35 1zicA1 VAL 32 HG13 0.07 -0.02 -0.12 -0.04 0.97 0.85 1zicA1 VAL 32 HG23 0.08 0.01 -0.14 -0.04 0.95 0.86 1zicA1 ILE 33 H 0.03 0.62 0.37 -0.55 8.25 8.72 1zicA1 ILE 33 HA 0.04 0.31 0.95 -0.75 4.18 4.73 1zicA1 ILE 33 HB 0.01 -0.08 0.06 -0.04 1.89 1.84 1zicA1 ILE 33 HG12 0.05 0.02 -0.20 -0.04 1.49 1.32 1zicA1 ILE 33 HG13 0.01 0.11 -0.27 -0.04 1.21 1.02 1zicA1 ILE 33 HG23 0.05 -0.04 -0.22 -0.04 0.93 0.68 1zicA1 ILE 33 HD13 -0.02 -0.02 -0.24 -0.04 0.88 0.57 1zicA1 ALA 34 H 0.03 0.66 0.37 -0.55 8.40 8.92 1zicA1 ALA 34 HA -0.00 0.11 0.76 -0.75 4.34 4.46 1zicA1 ALA 34 HB3 0.01 -0.01 0.07 -0.04 1.41 1.44 1zicA1 GLN 35 H -0.07 0.19 0.20 -0.55 8.47 8.25 1zicA1 GLN 35 HA -0.02 0.02 0.37 -0.75 4.36 3.97 1zicA1 GLN 35 HB2 -0.14 -0.02 0.10 -0.04 2.15 2.05 1zicA1 GLN 35 HB3 -0.10 0.10 0.08 -0.04 2.02 2.05 1zicA1 GLN 35 HG2 -0.21 -0.03 0.10 -0.04 2.40 2.23 1zicA1 GLN 35 HG3 -0.38 0.13 -0.19 -0.04 2.39 1.91 1zicA1 GLN 35 HE21 -1.46 -0.05 -0.04 -0.04 6.97 5.39 1zicA1 GLN 35 HE22 -1.02 0.20 -0.03 -0.04 7.69 6.79 1zicA1 GLU 36 H -0.02 0.07 0.19 -0.55 8.60 8.29 1zicA1 GLU 36 HA -0.19 0.16 0.82 -0.75 4.29 4.32 1zicA1 GLU 36 HB2 0.09 -0.05 0.13 -0.04 2.09 2.22 1zicA1 GLU 36 HB3 -0.13 -0.11 0.25 -0.04 1.99 1.96 1zicA1 GLU 36 HG2 0.11 0.14 -0.07 -0.04 2.34 2.49 1zicA1 GLU 36 HG3 0.17 0.02 0.06 -0.04 2.34 2.56 1zicA1 ILE 37 H -0.60 0.12 0.18 -0.55 8.25 7.40 1zicA1 ILE 37 HA -0.44 0.22 0.46 -0.75 4.18 3.67 1zicA1 ILE 37 HB -0.35 0.18 0.13 -0.04 1.89 1.81 1zicA1 ILE 37 HG12 -1.00 -0.11 0.09 -0.04 1.49 0.43 1zicA1 ILE 37 HG13 -1.76 0.03 -0.18 -0.04 1.21 -0.75 1zicA1 ILE 37 HG23 -1.32 -0.01 0.08 -0.04 0.93 -0.36 1zicA1 ILE 37 HD13 -0.80 0.02 -0.11 -0.04 0.88 -0.05 1zicA1 PHE 38 H -0.13 -0.01 -0.44 -0.55 8.34 7.20 1zicA1 PHE 38 HA 0.06 0.20 0.56 -0.75 4.62 4.69 1zicA1 PHE 38 HB2 -0.03 -0.04 0.03 -0.04 3.15 3.07 1zicA1 PHE 38 HB3 -0.01 0.17 0.15 -0.04 3.06 3.33 1zicA1 PHE 38 HD2 -0.06 0.01 -0.09 -0.04 7.28 7.10 1zicA1 PHE 38 HE2 -0.11 0.01 -0.02 -0.04 7.38 7.22 1zicA1 PHE 38 HZ -0.09 0.05 -0.01 -0.04 7.32 7.23 1zicA1 GLY 39 H -0.14 0.16 -0.30 -0.55 8.43 7.60 1zicA1 GLY 39 HA2 -0.14 -0.03 0.31 -0.51 4.01 3.64 1zicA1 GLY 39 HA3 0.14 0.39 0.58 -0.51 4.01 4.61 1zicA1 VAL 40 H 0.05 0.42 0.16 -0.55 8.24 8.31 1zicA1 VAL 40 HA -0.01 -0.06 0.53 -0.75 4.13 3.83 1zicA1 VAL 40 HB 0.03 0.10 0.13 -0.04 2.12 2.34 1zicA1 VAL 40 HG13 -0.01 -0.00 -0.01 -0.04 0.97 0.91 1zicA1 VAL 40 HG23 0.00 -0.04 -0.10 -0.04 0.95 0.76 1zicA1 ASN 41 H 0.02 0.03 0.15 -0.55 8.53 8.18 1zicA1 ASN 41 HA 0.01 0.42 0.73 -0.75 4.76 5.17 1zicA1 ASN 41 HB2 -0.00 -0.03 0.03 -0.04 2.88 2.84 1zicA1 ASN 41 HB3 0.06 0.12 -0.23 -0.04 2.79 2.71 1zicA1 ASN 41 HD21 -0.11 -0.14 0.05 -0.04 7.03 6.79 1zicA1 ASN 41 HD22 -0.09 0.62 0.16 -0.04 7.74 8.39 1zicA1 ALA 42 H -0.02 0.20 0.11 -0.55 8.40 8.15 1zicA1 ALA 42 HA -0.03 0.17 0.33 -0.75 4.34 4.06 1zicA1 ALA 42 HB3 -0.03 0.03 0.09 -0.04 1.41 1.45 1zicA1 PHE 43 H 0.07 0.08 -0.13 -0.55 8.34 7.81 1zicA1 PHE 43 HA -0.16 0.11 0.43 -0.75 4.62 4.25 1zicA1 PHE 43 HB2 -0.18 -0.01 0.07 -0.04 3.15 2.99 1zicA1 PHE 43 HB3 -0.15 -0.02 0.04 -0.04 3.06 2.89 1zicA1 PHE 43 HD2 -0.25 -0.02 -0.02 -0.04 7.28 6.94 1zicA1 PHE 43 HE2 -0.77 0.09 -0.08 -0.04 7.38 6.57 1zicA1 PHE 43 HZ -1.05 0.05 -0.19 -0.04 7.32 6.08 1zicA1 MET 44 H -0.06 0.08 -0.28 -0.55 8.47 7.66 1zicA1 MET 44 HA -0.40 0.05 0.46 -0.75 4.52 3.88 1zicA1 MET 44 HB2 -0.06 0.17 0.06 -0.04 2.15 2.28 1zicA1 MET 44 HB3 -0.09 0.09 -0.02 -0.04 2.03 1.96 1zicA1 MET 44 HG2 -0.03 -0.15 0.09 -0.04 2.63 2.50 1zicA1 MET 44 HG3 -0.04 0.11 0.06 -0.04 2.56 2.64 1zicA1 MET 44 HE3 -0.19 -0.09 -0.13 -0.04 2.10 1.65 1zicA1 ARG 45 H -0.09 0.46 -0.19 -0.55 8.46 8.09 1zicA1 ARG 45 HA -0.06 0.08 0.31 -0.75 4.34 3.91 1zicA1 ARG 45 HB2 -0.04 0.09 0.01 -0.04 1.90 1.92 1zicA1 ARG 45 HB3 -0.05 0.05 0.13 -0.04 1.80 1.89 1zicA1 ARG 45 HG2 -0.03 -0.03 -0.20 -0.04 1.67 1.36 1zicA1 ARG 45 HG3 -0.03 0.03 -0.02 -0.04 1.67 1.61 1zicA1 ARG 45 HD2 -0.03 -0.04 -0.04 -0.04 3.22 3.07 1zicA1 ARG 45 HD3 -0.02 0.01 -0.06 -0.04 3.22 3.11 1zicA1 GLU 46 H -0.14 0.39 -0.23 -0.55 8.60 8.07 1zicA1 GLU 46 HA -0.05 0.06 0.35 -0.75 4.29 3.89 1zicA1 GLU 46 HB2 -0.06 -0.00 0.07 -0.04 2.09 2.06 1zicA1 GLU 46 HB3 -0.16 0.03 0.18 -0.04 1.99 2.00 1zicA1 GLU 46 HG2 -0.04 -0.11 -0.02 -0.04 2.34 2.13 1zicA1 GLU 46 HG3 -0.17 0.03 -0.26 -0.04 2.34 1.91 1zicA1 THR 47 H -0.40 0.45 -0.21 -0.55 8.28 7.57 1zicA1 THR 47 HA 0.02 0.02 0.47 -0.75 4.39 4.15 1zicA1 THR 47 HB -0.36 0.07 0.11 -0.04 4.32 4.10 1zicA1 THR 47 HG23 0.14 -0.00 -0.12 -0.04 1.22 1.19 1zicA1 VAL 48 H -0.09 0.56 -0.21 -0.55 8.24 7.95 1zicA1 VAL 48 HA -0.02 0.03 0.28 -0.75 4.13 3.66 1zicA1 VAL 48 HB -0.04 0.13 0.09 -0.04 2.12 2.25 1zicA1 VAL 48 HG13 -0.04 -0.00 -0.26 -0.04 0.97 0.63 1zicA1 VAL 48 HG23 -0.04 0.02 -0.12 -0.04 0.95 0.76 1zicA1 SER 49 H -0.01 0.50 -0.22 -0.55 8.46 8.18 1zicA1 SER 49 HA 0.00 0.03 0.27 -0.75 4.49 4.04 1zicA1 SER 49 HB2 -0.00 0.02 0.08 -0.04 3.95 4.01 1zicA1 SER 49 HB3 0.03 0.10 0.15 -0.04 3.93 4.17 1zicA1 TRP 50 H 0.21 0.57 -0.16 -0.55 7.97 8.05 1zicA1 TRP 50 HA -0.02 -0.00 0.39 -0.75 4.62 4.24 1zicA1 TRP 50 HB2 -0.06 -0.04 0.09 -0.04 3.23 3.19 1zicA1 TRP 50 HB3 -0.08 0.09 0.16 -0.04 3.23 3.36 1zicA1 TRP 50 HD1 0.01 -0.01 -0.02 -0.04 7.22 7.16 1zicA1 TRP 50 HE1 0.04 0.00 -0.09 -0.04 10.20 10.12 1zicA1 TRP 50 HE3 -0.08 0.05 -0.00 -0.04 7.59 7.52 1zicA1 TRP 50 HZ2 0.06 0.07 -0.03 -0.04 7.44 7.50 1zicA1 TRP 50 HZ3 0.03 -0.05 -0.10 -0.04 7.13 6.98 1zicA1 TRP 50 HH2 0.11 -0.02 -0.06 -0.04 7.19 7.18 1zicA1 LEU 51 H 0.02 0.56 -0.19 -0.55 8.37 8.22 1zicA1 LEU 51 HA -0.55 0.03 0.36 -0.75 4.35 3.44 1zicA1 LEU 51 HB2 -0.10 0.07 0.02 -0.04 1.64 1.59 1zicA1 LEU 51 HB3 -0.16 0.03 -0.16 -0.04 1.64 1.32 1zicA1 LEU 51 HG -0.51 -0.06 -0.06 -0.04 1.64 0.96 1zicA1 LEU 51 HD13 -0.06 -0.01 -0.15 -0.04 0.93 0.66 1zicA1 LEU 51 HD23 -0.85 -0.00 -0.12 -0.04 0.89 -0.12 1zicA1 VAL 52 H -0.05 0.62 -0.17 -0.55 8.24 8.10 1zicA1 VAL 52 HA -0.05 0.47 0.43 -0.75 4.13 4.23 1zicA1 VAL 52 HB -0.03 0.02 0.06 -0.04 2.12 2.13 1zicA1 VAL 52 HG13 -0.05 -0.03 -0.22 -0.04 0.97 0.63 1zicA1 VAL 52 HG23 -0.07 0.02 -0.16 -0.04 0.95 0.70 1zicA1 ASP 53 H -0.02 0.68 -0.15 -0.55 8.40 8.36 1zicA1 ASP 53 HA -0.02 -0.00 0.48 -0.75 4.63 4.33 1zicA1 ASP 53 HB2 0.04 0.11 0.12 -0.04 2.71 2.95 1zicA1 ASP 53 HB3 0.03 -0.08 0.07 -0.04 2.70 2.67 1zicA1 GLN 54 H -0.11 0.31 -0.55 -0.55 8.47 7.58 1zicA1 GLN 54 HA -0.05 0.09 0.74 -0.75 4.36 4.38 1zicA1 GLN 54 HB2 -0.04 0.05 0.02 -0.04 2.15 2.14 1zicA1 GLN 54 HB3 -0.02 -0.05 0.13 -0.04 2.02 2.04 1zicA1 GLN 54 HG2 -0.58 0.34 -0.03 -0.04 2.40 2.09 1zicA1 GLN 54 HG3 -0.42 -0.12 -0.06 -0.04 2.39 1.75 1zicA1 GLN 54 HE21 0.11 -0.07 -0.13 -0.04 6.97 6.83 1zicA1 GLN 54 HE22 0.00 0.19 -0.06 -0.04 7.69 7.79 1zicA1 GLY 55 H -0.08 0.42 -0.42 -0.55 8.43 7.80 1zicA1 GLY 55 HA2 -0.13 -0.05 0.30 -0.51 4.01 3.62 1zicA1 GLY 55 HA3 -0.22 0.07 0.50 -0.51 4.01 3.85 1zicA1 TYR 56 H -0.00 0.45 0.05 -0.55 8.29 8.23 1zicA1 TYR 56 HA -0.08 0.24 0.82 -0.75 4.56 4.79 1zicA1 TYR 56 HB2 -0.17 -0.11 -0.18 -0.04 3.06 2.57 1zicA1 TYR 56 HB3 -0.10 0.09 -0.01 -0.04 2.98 2.92 1zicA1 TYR 56 HD2 -0.16 0.03 -0.20 -0.04 7.15 6.79 1zicA1 TYR 56 HE2 -0.11 0.02 -0.15 -0.04 6.85 6.56 1zicA1 ALA 57 H 0.03 0.61 0.29 -0.55 8.40 8.79 1zicA1 ALA 57 HA -0.17 0.16 0.84 -0.75 4.34 4.42 1zicA1 ALA 57 HB3 -0.30 -0.01 0.08 -0.04 1.41 1.14 1zicA1 ALA 58 H -0.15 0.64 0.35 -0.55 8.40 8.69 1zicA1 ALA 58 HA -0.00 0.26 1.02 -0.75 4.34 4.86 1zicA1 ALA 58 HB3 -0.03 -0.03 -0.08 -0.04 1.41 1.22 1zicA1 VAL 59 H 0.03 0.66 0.32 -0.55 8.24 8.70 1zicA1 VAL 59 HA 0.06 0.19 0.90 -0.75 4.13 4.52 1zicA1 VAL 59 HB 0.11 0.00 0.07 -0.04 2.12 2.26 1zicA1 VAL 59 HG13 0.08 -0.02 -0.21 -0.04 0.97 0.78 1zicA1 VAL 59 HG23 0.24 0.00 -0.26 -0.04 0.95 0.90 1zicA1 CYS 60 H 0.02 0.75 0.26 -0.55 8.50 8.99 1zicA1 CYS 60 HA 0.02 0.28 1.07 -0.75 4.58 5.20 1zicA1 CYS 60 HB2 -0.02 -0.00 0.02 -0.04 2.97 2.93 1zicA1 CYS 60 HB3 -0.01 -0.07 0.25 -0.04 2.97 3.11 1zicA1 PRO 61 HA 0.13 0.17 0.63 -0.51 4.44 4.86 1zicA1 PRO 61 HB2 0.09 -0.00 -0.11 -0.04 2.28 2.21 1zicA1 PRO 61 HB3 0.28 0.08 -0.03 -0.04 2.02 2.31 1zicA1 PRO 61 HG2 0.01 -0.11 0.08 -0.04 2.03 1.97 1zicA1 PRO 61 HG3 0.08 0.07 -0.02 -0.04 2.03 2.12 1zicA1 PRO 61 HD2 0.04 0.37 0.36 -0.04 3.68 4.41 1zicA1 PRO 61 HD3 0.07 0.20 -0.06 -0.04 3.65 3.82 1zicA1 ASP 62 H 0.20 0.79 0.21 -0.55 8.40 9.05 1zicA1 ASP 62 HA 0.04 0.05 0.66 -0.75 4.63 4.62 1zicA1 ASP 62 HB2 0.11 0.10 0.04 -0.04 2.71 2.91 1zicA1 ASP 62 HB3 0.18 -0.02 0.29 -0.04 2.70 3.11 1zicA1 LEU 63 H -0.06 0.38 0.10 -0.55 8.37 8.23 1zicA1 LEU 63 HA -0.11 0.12 0.26 -0.75 4.35 3.87 1zicA1 LEU 63 HB2 -0.14 -0.03 0.03 -0.04 1.64 1.47 1zicA1 LEU 63 HB3 0.27 0.00 0.02 -0.04 1.64 1.90 1zicA1 LEU 63 HG -0.06 0.18 0.03 -0.04 1.64 1.74 1zicA1 LEU 63 HD13 0.03 -0.00 -0.01 -0.04 0.93 0.90 1zicA1 LEU 63 HD23 -0.13 0.01 -0.14 -0.04 0.89 0.59 1zicA1 TYR 64 H 0.12 0.06 -0.31 -0.55 8.29 7.60 1zicA1 TYR 64 HA 0.20 0.20 0.62 -0.75 4.56 4.82 1zicA1 TYR 64 HB2 0.07 -0.02 0.04 -0.04 3.06 3.11 1zicA1 TYR 64 HB3 0.09 0.06 0.11 -0.04 2.98 3.20 1zicA1 TYR 64 HD2 0.19 0.03 -0.12 -0.04 7.15 7.22 1zicA1 TYR 64 HE2 -0.02 0.10 -0.21 -0.04 6.85 6.68 1zicA1 ALA 65 H 0.17 0.49 -0.52 -0.55 8.40 7.99 1zicA1 ALA 65 HA 0.17 -0.05 0.08 -0.75 4.34 3.79 1zicA1 ALA 65 HB3 0.28 0.02 0.13 -0.04 1.41 1.81 1zicA1 ARG 66 H 0.04 0.15 -0.39 -0.55 8.46 7.71 1zicA1 ARG 66 HA -0.12 0.15 0.54 -0.75 4.34 4.15 1zicA1 ARG 66 HB2 -0.14 -0.01 -0.00 -0.04 1.90 1.70 1zicA1 ARG 66 HB3 -0.19 0.03 0.06 -0.04 1.80 1.65 1zicA1 ARG 66 HG2 -1.00 0.03 -0.02 -0.04 1.67 0.64 1zicA1 ARG 66 HG3 -0.50 -0.04 -0.06 -0.04 1.67 1.03 1zicA1 ARG 66 HD2 -0.26 -0.00 -0.04 -0.04 3.22 2.87 1zicA1 ARG 66 HD3 -0.25 0.00 -0.00 -0.04 3.22 2.93 1zicA1 GLN 67 H 0.08 0.26 -0.35 -0.55 8.47 7.91 1zicA1 GLN 67 HA 0.01 0.23 0.98 -0.75 4.36 4.83 1zicA1 GLN 67 HB2 0.01 0.01 0.08 -0.04 2.15 2.20 1zicA1 GLN 67 HB3 -0.02 -0.01 -0.04 -0.04 2.02 1.90 1zicA1 GLN 67 HG2 0.01 0.05 -0.07 -0.04 2.40 2.35 1zicA1 GLN 67 HG3 0.01 -0.11 -0.29 -0.04 2.39 1.96 1zicA1 GLN 67 HE21 0.09 0.33 0.02 -0.04 6.97 7.36 1zicA1 GLN 67 HE22 -0.01 -0.01 -0.03 -0.04 7.69 7.60 1zicA1 ALA 68 H 0.09 0.56 0.00 -0.55 8.40 8.50 1zicA1 ALA 68 HA 0.05 0.15 0.55 -0.75 4.34 4.33 1zicA1 ALA 68 HB3 0.01 0.00 -0.05 -0.04 1.41 1.33 1zicA1 PRO 69 HA 0.13 -0.14 0.35 -0.51 4.44 4.27 1zicA1 PRO 69 HB2 0.07 0.04 -0.00 -0.04 2.28 2.34 1zicA1 PRO 69 HB3 0.10 -0.02 0.10 -0.04 2.02 2.16 1zicA1 PRO 69 HG2 0.08 0.05 0.07 -0.04 2.03 2.20 1zicA1 PRO 69 HG3 0.13 0.23 0.17 -0.04 2.03 2.53 1zicA1 PRO 69 HD2 0.06 0.10 0.11 -0.04 3.68 3.92 1zicA1 PRO 69 HD3 0.08 0.23 -0.04 -0.04 3.65 3.88 1zicA1 GLY 70 H 0.11 0.03 0.15 -0.55 8.43 8.16 1zicA1 GLY 70 HA2 0.07 0.00 0.27 -0.51 4.01 3.85 1zicA1 GLY 70 HA3 0.06 0.13 0.45 -0.51 4.01 4.14 1zicA1 THR 71 H 0.14 0.14 -0.17 -0.55 8.28 7.84 1zicA1 THR 71 HA 0.09 0.06 0.38 -0.75 4.39 4.17 1zicA1 THR 71 HB 0.29 -0.16 0.08 -0.04 4.32 4.50 1zicA1 THR 71 HG23 0.16 -0.01 -0.25 -0.04 1.22 1.07 1zicA1 ALA 72 H 0.08 0.20 0.05 -0.55 8.40 8.18 1zicA1 ALA 72 HA 0.09 0.06 0.47 -0.75 4.34 4.21 1zicA1 ALA 72 HB3 0.04 0.02 -0.03 -0.04 1.41 1.40 1zicA1 LEU 73 H 0.15 0.78 0.15 -0.55 8.37 8.91 1zicA1 LEU 73 HA 0.06 0.14 0.77 -0.75 4.35 4.57 1zicA1 LEU 73 HB2 0.32 -0.06 0.06 -0.04 1.64 1.92 1zicA1 LEU 73 HB3 0.17 -0.01 -0.11 -0.04 1.64 1.65 1zicA1 LEU 73 HG 0.14 -0.07 -0.24 -0.04 1.64 1.42 1zicA1 LEU 73 HD13 0.13 0.03 -0.10 -0.04 0.93 0.95 1zicA1 LEU 73 HD23 0.07 0.02 -0.05 -0.04 0.89 0.89 1zicA1 ASP 74 H -0.00 0.17 0.17 -0.55 8.40 8.19 1zicA1 ASP 74 HA -0.13 0.12 0.63 -0.75 4.63 4.49 1zicA1 ASP 74 HB2 -0.04 0.13 0.12 -0.04 2.71 2.88 1zicA1 ASP 74 HB3 -0.03 -0.02 0.25 -0.04 2.70 2.86 1zicA1 PRO 75 HA -0.38 0.13 0.39 -0.51 4.44 4.07 1zicA1 PRO 75 HB2 -0.41 0.05 -0.06 -0.04 2.28 1.82 1zicA1 PRO 75 HB3 -1.22 0.01 0.07 -0.04 2.02 0.83 1zicA1 PRO 75 HG2 -0.51 -0.02 0.05 -0.04 2.03 1.51 1zicA1 PRO 75 HG3 -1.40 0.03 0.07 -0.04 2.03 0.69 1zicA1 PRO 75 HD2 -0.26 0.07 0.20 -0.04 3.68 3.64 1zicA1 PRO 75 HD3 -0.33 0.34 0.41 -0.04 3.65 4.03 1zicA1 GLN 76 H -0.14 0.04 -0.39 -0.55 8.47 7.43 1zicA1 GLN 76 HA -0.06 0.18 0.64 -0.75 4.36 4.36 1zicA1 GLN 76 HB2 -0.07 0.05 0.05 -0.04 2.15 2.14 1zicA1 GLN 76 HB3 -0.07 -0.04 0.04 -0.04 2.02 1.90 1zicA1 GLN 76 HG2 -0.03 -0.03 -0.20 -0.04 2.40 2.10 1zicA1 GLN 76 HG3 -0.03 0.02 0.12 -0.04 2.39 2.46 1zicA1 GLN 76 HE21 -0.03 0.04 -0.00 -0.04 6.97 6.93 1zicA1 GLN 76 HE22 -0.03 -0.04 -0.03 -0.04 7.69 7.54 1zicA1 ASP 77 H -0.05 0.37 -0.26 -0.55 8.40 7.91 1zicA1 ASP 77 HA 0.00 0.14 0.67 -0.75 4.63 4.68 1zicA1 ASP 77 HB2 -0.01 0.04 0.09 -0.04 2.71 2.78 1zicA1 ASP 77 HB3 -0.00 0.05 0.25 -0.04 2.70 2.96 1zicA1 GLU 78 H 0.02 0.27 0.19 -0.55 8.60 8.54 1zicA1 GLU 78 HA 0.07 0.10 0.34 -0.75 4.29 4.05 1zicA1 GLU 78 HB2 0.03 -0.02 0.15 -0.04 2.09 2.21 1zicA1 GLU 78 HB3 0.05 0.04 0.03 -0.04 1.99 2.07 1zicA1 GLU 78 HG2 0.05 0.02 0.05 -0.04 2.34 2.42 1zicA1 GLU 78 HG3 0.03 0.05 0.12 -0.04 2.34 2.50 1zicA1 ARG 79 H 0.04 0.12 -0.11 -0.55 8.46 7.96 1zicA1 ARG 79 HA 0.06 0.12 0.44 -0.75 4.34 4.20 1zicA1 ARG 79 HB2 0.04 0.05 -0.03 -0.04 1.90 1.91 1zicA1 ARG 79 HB3 0.04 0.08 0.08 -0.04 1.80 1.96 1zicA1 ARG 79 HG2 0.03 0.06 0.06 -0.04 1.67 1.78 1zicA1 ARG 79 HG3 0.03 -0.18 0.10 -0.04 1.67 1.58 1zicA1 ARG 79 HD2 0.02 0.04 0.02 -0.04 3.22 3.26 1zicA1 ARG 79 HD3 0.02 0.06 0.03 -0.04 3.22 3.29 1zicA1 GLN 80 H 0.05 0.12 -0.25 -0.55 8.47 7.84 1zicA1 GLN 80 HA 0.07 0.09 0.50 -0.75 4.36 4.26 1zicA1 GLN 80 HB2 0.04 0.23 0.16 -0.04 2.15 2.54 1zicA1 GLN 80 HB3 0.07 -0.10 0.03 -0.04 2.02 1.99 1zicA1 GLN 80 HG2 0.04 0.07 0.03 -0.04 2.40 2.50 1zicA1 GLN 80 HG3 0.03 -0.07 0.04 -0.04 2.39 2.35 1zicA1 GLN 80 HE21 0.01 0.06 0.07 -0.04 6.97 7.07 1zicA1 GLN 80 HE22 0.02 -0.01 0.05 -0.04 7.69 7.70 1zicA1 ARG 81 H 0.10 0.57 -0.10 -0.55 8.46 8.48 1zicA1 ARG 81 HA 0.26 -0.01 0.46 -0.75 4.34 4.29 1zicA1 ARG 81 HB2 0.18 0.15 0.10 -0.04 1.90 2.29 1zicA1 ARG 81 HB3 0.27 -0.06 -0.02 -0.04 1.80 1.95 1zicA1 ARG 81 HG2 0.19 -0.12 0.01 -0.04 1.67 1.71 1zicA1 ARG 81 HG3 0.08 0.20 -0.16 -0.04 1.67 1.75 1zicA1 ARG 81 HD2 0.07 0.25 -0.05 -0.04 3.22 3.45 1zicA1 ARG 81 HD3 0.13 -0.05 -0.06 -0.04 3.22 3.20 1zicA1 GLU 82 H 0.14 0.48 -0.20 -0.55 8.60 8.47 1zicA1 GLU 82 HA 0.28 0.01 0.46 -0.75 4.29 4.28 1zicA1 GLU 82 HB2 0.09 0.14 0.17 -0.04 2.09 2.46 1zicA1 GLU 82 HB3 0.10 -0.02 0.03 -0.04 1.99 2.06 1zicA1 GLU 82 HG2 0.11 -0.03 0.04 -0.04 2.34 2.42 1zicA1 GLU 82 HG3 0.13 0.08 0.09 -0.04 2.34 2.61 1zicA1 GLN 83 H 0.09 0.44 -0.16 -0.55 8.47 8.30 1zicA1 GLN 83 HA 0.06 0.04 0.48 -0.75 4.36 4.18 1zicA1 GLN 83 HB2 0.05 0.02 0.12 -0.04 2.15 2.30 1zicA1 GLN 83 HB3 0.07 0.11 0.17 -0.04 2.02 2.32 1zicA1 GLN 83 HG2 0.03 -0.01 -0.04 -0.04 2.40 2.33 1zicA1 GLN 83 HG3 0.01 -0.02 -0.28 -0.04 2.39 2.06 1zicA1 GLN 83 HE21 -0.01 0.04 -0.03 -0.04 6.97 6.93 1zicA1 GLN 83 HE22 -0.01 0.00 -0.05 -0.04 7.69 7.59 1zicA1 ALA 84 H 0.08 0.49 -0.22 -0.55 8.40 8.20 1zicA1 ALA 84 HA 0.00 0.07 0.45 -0.75 4.34 4.10 1zicA1 ALA 84 HB3 -0.18 0.01 0.03 -0.04 1.41 1.23 1zicA1 TYR 85 H 0.10 0.57 -0.12 -0.55 8.29 8.29 1zicA1 TYR 85 HA 0.31 -0.04 0.47 -0.75 4.56 4.55 1zicA1 TYR 85 HB2 0.11 0.12 0.16 -0.04 3.06 3.41 1zicA1 TYR 85 HB3 0.12 -0.02 0.03 -0.04 2.98 3.07 1zicA1 TYR 85 HD2 0.34 0.03 -0.02 -0.04 7.15 7.45 1zicA1 TYR 85 HE2 0.32 -0.04 -0.02 -0.04 6.85 7.07 1zicA1 LYS 86 H 0.16 0.51 -0.18 -0.55 8.42 8.36 1zicA1 LYS 86 HA 0.08 0.02 0.49 -0.75 4.32 4.16 1zicA1 LYS 86 HB2 0.07 0.05 0.14 -0.04 1.87 2.09 1zicA1 LYS 86 HB3 0.04 0.12 0.16 -0.04 1.79 2.06 1zicA1 LYS 86 HG2 0.02 -0.00 -0.14 -0.04 1.46 1.30 1zicA1 LYS 86 HG3 0.03 -0.03 0.04 -0.04 1.46 1.46 1zicA1 LYS 86 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 1zicA1 LYS 86 HD3 0.01 0.01 -0.03 -0.04 1.68 1.64 1zicA1 LYS 86 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 1zicA1 LYS 86 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 1zicA1 LEU 87 H 0.01 0.60 -0.08 -0.55 8.37 8.35 1zicA1 LEU 87 HA -0.07 0.05 0.44 -0.75 4.35 4.02 1zicA1 LEU 87 HB2 -0.29 0.11 0.17 -0.04 1.64 1.59 1zicA1 LEU 87 HB3 -0.99 -0.09 -0.01 -0.04 1.64 0.51 1zicA1 LEU 87 HG -0.13 0.10 0.05 -0.04 1.64 1.61 1zicA1 LEU 87 HD13 -0.35 -0.03 -0.08 -0.04 0.93 0.43 1zicA1 LEU 87 HD23 -0.22 -0.01 -0.04 -0.04 0.89 0.58 1zicA1 TRP 88 H 0.28 0.57 -0.14 -0.55 7.97 8.13 1zicA1 TRP 88 HA 0.12 -0.02 0.45 -0.75 4.62 4.42 1zicA1 TRP 88 HB2 -0.02 -0.01 0.17 -0.04 3.23 3.33 1zicA1 TRP 88 HB3 0.08 0.12 0.20 -0.04 3.23 3.59 1zicA1 TRP 88 HD1 -0.03 0.02 0.10 -0.04 7.22 7.28 1zicA1 TRP 88 HE1 -0.02 0.00 0.01 -0.04 10.20 10.15 1zicA1 TRP 88 HE3 0.27 0.05 0.03 -0.04 7.59 7.89 1zicA1 TRP 88 HZ2 -0.10 -0.01 -0.02 -0.04 7.44 7.28 1zicA1 TRP 88 HZ3 0.39 -0.01 0.01 -0.04 7.13 7.48 1zicA1 TRP 88 HH2 -0.22 -0.03 -0.00 -0.04 7.19 6.90 1zicA1 GLN 89 H 0.12 0.50 -0.16 -0.55 8.47 8.39 1zicA1 GLN 89 HA -0.24 -0.02 0.30 -0.75 4.36 3.64 1zicA1 GLN 89 HB2 -0.05 0.01 0.16 -0.04 2.15 2.23 1zicA1 GLN 89 HB3 0.00 0.13 0.15 -0.04 2.02 2.26 1zicA1 GLN 89 HG2 -0.05 -0.05 0.02 -0.04 2.40 2.28 1zicA1 GLN 89 HG3 -0.04 0.02 -0.09 -0.04 2.39 2.24 1zicA1 GLN 89 HE21 -0.10 -0.03 0.04 -0.04 6.97 6.83 1zicA1 GLN 89 HE22 -0.06 0.01 0.03 -0.04 7.69 7.63 1zicA1 ALA 90 H 0.09 0.33 -0.39 -0.55 8.40 7.88 1zicA1 ALA 90 HA 0.04 0.07 0.48 -0.75 4.34 4.17 1zicA1 ALA 90 HB3 0.03 -0.01 0.09 -0.04 1.41 1.48 1zicA1 PHE 91 H 0.31 0.42 -0.47 -0.55 8.34 8.04 1zicA1 PHE 91 HA 0.11 -0.04 0.18 -0.75 4.62 4.11 1zicA1 PHE 91 HB2 0.35 0.11 0.13 -0.04 3.15 3.70 1zicA1 PHE 91 HB3 0.29 0.06 0.12 -0.04 3.06 3.50 1zicA1 PHE 91 HD2 0.29 -0.01 -0.21 -0.04 7.28 7.31 1zicA1 PHE 91 HE2 0.06 0.01 -0.17 -0.04 7.38 7.24 1zicA1 PHE 91 HZ -0.02 -0.05 -0.05 -0.04 7.32 7.16 1zicA1 ASP 92 H -0.46 0.13 0.15 -0.55 8.40 7.68 1zicA1 ASP 92 HA -0.09 0.14 0.70 -0.75 4.63 4.62 1zicA1 ASP 92 HB2 -0.15 0.19 0.15 -0.04 2.71 2.86 1zicA1 ASP 92 HB3 -0.31 -0.05 0.23 -0.04 2.70 2.53 1zicA1 MET 93 H 0.04 0.33 0.18 -0.55 8.47 8.47 1zicA1 MET 93 HA 0.23 0.07 0.31 -0.75 4.52 4.37 1zicA1 MET 93 HB2 0.11 0.01 0.12 -0.04 2.15 2.34 1zicA1 MET 93 HB3 0.16 0.02 -0.04 -0.04 2.03 2.12 1zicA1 MET 93 HG2 0.29 0.16 0.04 -0.04 2.63 3.08 1zicA1 MET 93 HG3 0.20 0.04 0.01 -0.04 2.56 2.77 1zicA1 MET 93 HE3 0.20 -0.00 -0.08 -0.04 2.10 2.18 1zicA1 GLU 94 H -0.00 0.15 -0.06 -0.55 8.60 8.14 1zicA1 GLU 94 HA 0.03 0.12 0.50 -0.75 4.29 4.19 1zicA1 GLU 94 HB2 0.01 0.05 0.10 -0.04 2.09 2.20 1zicA1 GLU 94 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.94 1zicA1 GLU 94 HG2 0.01 -0.00 -0.16 -0.04 2.34 2.14 1zicA1 GLU 94 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 1zicA1 ALA 95 H -0.10 0.10 -0.27 -0.55 8.40 7.58 1zicA1 ALA 95 HA -0.04 0.08 0.50 -0.75 4.34 4.13 1zicA1 ALA 95 HB3 -0.15 0.04 0.08 -0.04 1.41 1.33 1zicA1 GLY 96 H -0.19 0.41 -0.27 -0.55 8.43 7.84 1zicA1 GLY 96 HA2 -0.02 0.01 0.40 -0.51 4.01 3.90 1zicA1 GLY 96 HA3 0.14 0.06 0.26 -0.51 4.01 3.96 1zicA1 VAL 97 H 0.07 0.52 -0.09 -0.55 8.24 8.19 1zicA1 VAL 97 HA 0.12 0.02 0.47 -0.75 4.13 3.99 1zicA1 VAL 97 HB 0.09 0.13 0.16 -0.04 2.12 2.46 1zicA1 VAL 97 HG13 0.18 0.01 -0.17 -0.04 0.97 0.94 1zicA1 VAL 97 HG23 0.09 0.04 0.01 -0.04 0.95 1.05 1zicA1 GLY 98 H 0.05 0.52 -0.22 -0.55 8.43 8.24 1zicA1 GLY 98 HA2 0.06 0.07 0.42 -0.51 4.01 4.05 1zicA1 GLY 98 HA3 0.06 0.04 0.32 -0.51 4.01 3.91 1zicA1 ASP 99 H 0.00 0.57 -0.15 -0.55 8.40 8.27 1zicA1 ASP 99 HA 0.15 0.01 0.48 -0.75 4.63 4.52 1zicA1 ASP 99 HB2 -0.18 0.09 0.13 -0.04 2.71 2.71 1zicA1 ASP 99 HB3 -0.76 -0.05 -0.09 -0.04 2.70 1.76 1zicA1 LEU 100 H 0.04 0.58 -0.19 -0.55 8.37 8.25 1zicA1 LEU 100 HA 0.08 0.01 0.45 -0.75 4.35 4.12 1zicA1 LEU 100 HB2 0.11 0.12 0.14 -0.04 1.64 1.98 1zicA1 LEU 100 HB3 0.10 -0.01 -0.05 -0.04 1.64 1.64 1zicA1 LEU 100 HG 0.04 0.03 0.01 -0.04 1.64 1.68 1zicA1 LEU 100 HD13 0.08 -0.02 -0.11 -0.04 0.93 0.84 1zicA1 LEU 100 HD23 0.04 -0.02 -0.08 -0.04 0.89 0.79 1zicA1 GLU 101 H 0.06 0.62 -0.15 -0.55 8.60 8.59 1zicA1 GLU 101 HA -0.17 0.04 0.34 -0.75 4.29 3.75 1zicA1 GLU 101 HB2 -0.43 0.03 0.11 -0.04 2.09 1.76 1zicA1 GLU 101 HB3 -0.17 0.09 0.18 -0.04 1.99 2.06 1zicA1 GLU 101 HG2 -1.06 0.03 0.04 -0.04 2.34 1.30 1zicA1 GLU 101 HG3 -1.16 -0.00 -0.00 -0.04 2.34 1.14 1zicA1 ALA 102 H 0.08 0.42 -0.29 -0.55 8.40 8.06 1zicA1 ALA 102 HA 0.05 0.05 0.41 -0.75 4.34 4.09 1zicA1 ALA 102 HB3 0.20 0.02 0.01 -0.04 1.41 1.61 1zicA1 ALA 103 H 0.18 0.47 -0.22 -0.55 8.40 8.28 1zicA1 ALA 103 HA 0.06 0.01 0.40 -0.75 4.34 4.06 1zicA1 ALA 103 HB3 0.16 0.01 0.05 -0.04 1.41 1.59 1zicA1 ILE 104 H 0.07 0.53 -0.25 -0.55 8.25 8.04 1zicA1 ILE 104 HA 0.06 0.01 0.42 -0.75 4.18 3.92 1zicA1 ILE 104 HB 0.02 0.15 0.14 -0.04 1.89 2.16 1zicA1 ILE 104 HG12 0.07 0.00 -0.09 -0.04 1.49 1.43 1zicA1 ILE 104 HG13 0.08 -0.05 -0.05 -0.04 1.21 1.15 1zicA1 ILE 104 HG23 0.04 0.02 -0.18 -0.04 0.93 0.77 1zicA1 ILE 104 HD13 0.14 -0.03 -0.26 -0.04 0.88 0.68 1zicA1 ARG 105 H 0.02 0.46 -0.09 -0.55 8.46 8.29 1zicA1 ARG 105 HA 0.02 0.09 0.42 -0.75 4.34 4.12 1zicA1 ARG 105 HB2 0.05 0.05 0.17 -0.04 1.90 2.12 1zicA1 ARG 105 HB3 0.10 -0.03 -0.03 -0.04 1.80 1.79 1zicA1 ARG 105 HG2 0.00 0.03 0.03 -0.04 1.67 1.69 1zicA1 ARG 105 HG3 -0.05 0.11 0.04 -0.04 1.67 1.72 1zicA1 ARG 105 HD2 0.02 0.01 -0.00 -0.04 3.22 3.21 1zicA1 ARG 105 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 1zicA1 TYR 106 H 0.12 0.54 -0.18 -0.55 8.29 8.22 1zicA1 TYR 106 HA -0.41 0.01 0.44 -0.75 4.56 3.84 1zicA1 TYR 106 HB2 -0.09 -0.01 0.12 -0.04 3.06 3.04 1zicA1 TYR 106 HB3 -0.07 0.15 0.14 -0.04 2.98 3.16 1zicA1 TYR 106 HD2 -0.05 0.05 -0.10 -0.04 7.15 7.00 1zicA1 TYR 106 HE2 -0.00 -0.01 -0.06 -0.04 6.85 6.74 1zicA1 ALA 107 H 0.07 0.48 -0.35 -0.55 8.40 8.06 1zicA1 ALA 107 HA -0.07 -0.07 0.26 -0.75 4.34 3.70 1zicA1 ALA 107 HB3 0.08 0.02 0.04 -0.04 1.41 1.52 1zicA1 ARG 108 H -0.18 0.38 -0.66 -0.55 8.46 7.45 1zicA1 ARG 108 HA -0.04 0.04 0.42 -0.75 4.34 4.00 1zicA1 ARG 108 HB2 0.07 0.10 0.07 -0.04 1.90 2.11 1zicA1 ARG 108 HB3 0.03 -0.04 0.10 -0.04 1.80 1.84 1zicA1 ARG 108 HG2 -0.01 0.12 0.01 -0.04 1.67 1.75 1zicA1 ARG 108 HG3 0.02 -0.08 0.08 -0.04 1.67 1.65 1zicA1 ARG 108 HD2 0.01 -0.05 0.06 -0.04 3.22 3.20 1zicA1 ARG 108 HD3 0.00 0.14 -0.00 -0.04 3.22 3.32 1zicA1 HIS 109 H -0.60 0.40 -0.27 -0.55 8.41 7.39 1zicA1 HIS 109 HA -0.14 0.26 0.95 -0.75 4.63 4.95 1zicA1 HIS 109 HB2 -0.12 -0.05 0.16 -0.04 3.26 3.21 1zicA1 HIS 109 HB3 -0.09 0.03 -0.22 -0.04 3.20 2.88 1zicA1 HIS 109 HD2 -0.19 -0.06 -0.02 -0.04 6.97 6.66 1zicA1 HIS 109 HE1 -0.02 -0.08 -0.14 -0.04 7.75 7.47 1zicA1 GLN 110 H -0.39 0.15 -0.07 -0.55 8.47 7.61 1zicA1 GLN 110 HA -0.40 0.17 0.80 -0.75 4.36 4.18 1zicA1 GLN 110 HB2 -1.25 -0.04 -0.00 -0.04 2.15 0.82 1zicA1 GLN 110 HB3 -1.14 -0.05 0.11 -0.04 2.02 0.90 1zicA1 GLN 110 HG2 -0.69 0.16 -0.05 -0.04 2.40 1.78 1zicA1 GLN 110 HG3 -0.50 -0.07 -0.07 -0.04 2.39 1.71 1zicA1 GLN 110 HE21 -0.76 -0.06 -0.04 -0.04 6.97 6.07 1zicA1 GLN 110 HE22 -1.19 0.52 -0.04 -0.04 7.69 6.93 1zicA1 PRO 111 HA -0.13 0.14 0.36 -0.51 4.44 4.30 1zicA1 PRO 111 HB2 -0.05 -0.01 0.02 -0.04 2.28 2.21 1zicA1 PRO 111 HB3 -0.05 0.03 0.07 -0.04 2.02 2.03 1zicA1 PRO 111 HG2 -0.07 0.01 0.08 -0.04 2.03 2.00 1zicA1 PRO 111 HG3 -0.10 0.07 0.08 -0.04 2.03 2.03 1zicA1 PRO 111 HD2 -0.36 0.05 0.19 -0.04 3.68 3.52 1zicA1 PRO 111 HD3 -0.25 0.18 0.23 -0.04 3.65 3.77 1zicA1 TYR 112 H -0.69 0.03 -0.24 -0.55 8.29 6.83 1zicA1 TYR 112 HA -0.03 0.16 0.60 -0.75 4.56 4.53 1zicA1 TYR 112 HB2 -0.03 0.05 0.10 -0.04 3.06 3.14 1zicA1 TYR 112 HB3 -0.03 -0.01 0.01 -0.04 2.98 2.92 1zicA1 TYR 112 HD2 -0.03 0.05 -0.23 -0.04 7.15 6.91 1zicA1 TYR 112 HE2 -0.02 0.00 -0.09 -0.04 6.85 6.70 1zicA1 SER 113 H -0.25 0.38 -0.45 -0.55 8.46 7.59 1zicA1 SER 113 HA 0.09 0.19 0.51 -0.75 4.49 4.52 1zicA1 SER 113 HB2 -0.12 0.14 -0.02 -0.04 3.95 3.92 1zicA1 SER 113 HB3 -0.05 -0.05 -0.01 -0.04 3.93 3.78 1zicA1 ASN 114 H 0.02 0.40 0.19 -0.55 8.53 8.59 1zicA1 ASN 114 HA -0.01 0.20 0.80 -0.75 4.76 5.00 1zicA1 ASN 114 HB2 -0.01 -0.00 0.03 -0.04 2.88 2.86 1zicA1 ASN 114 HB3 -0.01 -0.02 -0.31 -0.04 2.79 2.41 1zicA1 ASN 114 HD21 -0.02 0.53 0.05 -0.04 7.03 7.55 1zicA1 ASN 114 HD22 -0.03 -0.11 -0.04 -0.04 7.74 7.52 1zicA1 GLY 115 H -0.01 0.08 -0.10 -0.55 8.43 7.85 1zicA1 GLY 115 HA2 -0.01 0.20 0.42 -0.51 4.01 4.11 1zicA1 GLY 115 HA3 -0.01 0.12 0.65 -0.51 4.01 4.26 1zicA1 LYS 116 H 0.00 0.05 -0.20 -0.55 8.42 7.72 1zicA1 LYS 116 HA -0.01 0.14 0.79 -0.75 4.32 4.49 1zicA1 LYS 116 HB2 0.01 0.02 0.11 -0.04 1.87 1.97 1zicA1 LYS 116 HB3 -0.00 -0.04 0.06 -0.04 1.79 1.76 1zicA1 LYS 116 HG2 -0.01 -0.01 -0.12 -0.04 1.46 1.27 1zicA1 LYS 116 HG3 -0.01 0.17 0.01 -0.04 1.46 1.59 1zicA1 LYS 116 HD2 -0.02 -0.00 0.03 -0.04 1.69 1.65 1zicA1 LYS 116 HD3 -0.02 -0.00 0.05 -0.04 1.68 1.66 1zicA1 LYS 116 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.90 1zicA1 LYS 116 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 1zicA1 VAL 117 H -0.01 0.22 0.25 -0.55 8.24 8.16 1zicA1 VAL 117 HA 0.03 0.30 1.07 -0.75 4.13 4.78 1zicA1 VAL 117 HB 0.01 -0.06 0.11 -0.04 2.12 2.14 1zicA1 VAL 117 HG13 0.04 -0.00 -0.01 -0.04 0.97 0.96 1zicA1 VAL 117 HG23 0.01 0.05 -0.37 -0.04 0.95 0.60 1zicA1 GLY 118 H 0.02 0.52 0.37 -0.55 8.43 8.80 1zicA1 GLY 118 HA2 -0.00 0.20 1.12 -0.51 4.01 4.82 1zicA1 GLY 118 HA3 -0.01 0.02 0.38 -0.51 4.01 3.88 1zicA1 LEU 119 H 0.03 0.54 0.39 -0.55 8.37 8.78 1zicA1 LEU 119 HA 0.02 0.32 1.01 -0.75 4.35 4.94 1zicA1 LEU 119 HB2 0.05 0.04 -0.10 -0.04 1.64 1.60 1zicA1 LEU 119 HB3 0.04 -0.05 0.17 -0.04 1.64 1.75 1zicA1 LEU 119 HG 0.04 0.16 0.01 -0.04 1.64 1.80 1zicA1 LEU 119 HD13 0.07 -0.01 -0.12 -0.04 0.93 0.83 1zicA1 LEU 119 HD23 0.02 -0.03 -0.32 -0.04 0.89 0.52 1zicA1 VAL 120 H 0.01 0.63 0.29 -0.55 8.24 8.61 1zicA1 VAL 120 HA -0.05 0.23 0.96 -0.75 4.13 4.52 1zicA1 VAL 120 HB 0.06 -0.03 0.05 -0.04 2.12 2.16 1zicA1 VAL 120 HG13 -0.03 -0.03 -0.19 -0.04 0.97 0.68 1zicA1 VAL 120 HG23 0.03 0.02 -0.20 -0.04 0.95 0.75 1zicA1 GLY 121 H -0.16 0.69 0.35 -0.55 8.43 8.77 1zicA1 GLY 121 HA2 -0.01 0.25 1.05 -0.51 4.01 4.79 1zicA1 GLY 121 HA3 -0.05 0.18 0.08 -0.51 4.01 3.71 1zicA1 TYR 122 H 0.09 0.64 0.11 -0.55 8.29 8.57 1zicA1 TYR 122 HA -0.24 0.24 0.99 -0.75 4.56 4.79 1zicA1 TYR 122 HB2 0.01 -0.03 0.04 -0.04 3.06 3.04 1zicA1 TYR 122 HB3 -0.06 -0.08 -0.03 -0.04 2.98 2.78 1zicA1 TYR 122 HD2 -0.34 0.00 -0.13 -0.04 7.15 6.64 1zicA1 TYR 122 HE2 -0.79 0.05 -0.17 -0.04 6.85 5.91 1zicA1 SER 123 H -0.11 0.84 0.15 -0.55 8.46 8.79 1zicA1 SER 123 HA 0.10 0.49 0.43 -0.75 4.49 4.76 1zicA1 SER 123 HB2 0.13 -0.04 -0.03 -0.04 3.95 3.97 1zicA1 SER 123 HB3 -0.10 -0.04 0.19 -0.04 3.93 3.94 1zicA1 LEU 124 H -0.41 0.06 0.31 -0.55 8.37 7.79 1zicA1 LEU 124 HA -0.19 0.06 0.53 -0.75 4.35 3.99 1zicA1 LEU 124 HB2 -0.85 -0.02 0.10 -0.04 1.64 0.82 1zicA1 LEU 124 HB3 -0.46 0.01 0.11 -0.04 1.64 1.26 1zicA1 LEU 124 HG -0.36 0.05 -0.35 -0.04 1.64 0.94 1zicA1 LEU 124 HD13 -0.15 -0.00 -0.02 -0.04 0.93 0.72 1zicA1 LEU 124 HD23 -0.88 0.04 -0.17 -0.04 0.89 -0.17 1zicA1 GLY 125 H -0.13 0.56 -0.10 -0.55 8.43 8.21 1zicA1 GLY 125 HA2 -0.03 0.03 0.31 -0.51 4.01 3.81 1zicA1 GLY 125 HA3 -0.03 0.19 0.09 -0.51 4.01 3.75 1zicA1 GLY 126 H -0.03 0.14 -1.02 -0.55 8.43 6.97 1zicA1 GLY 126 HA2 0.02 0.12 0.41 -0.51 4.01 4.05 1zicA1 GLY 126 HA3 0.02 0.02 0.01 -0.51 4.01 3.55 1zicA1 ALA 127 H 0.06 0.43 -0.16 -0.55 8.40 8.19 1zicA1 ALA 127 HA 0.16 0.04 0.39 -0.75 4.34 4.19 1zicA1 ALA 127 HB3 0.13 0.04 0.11 -0.04 1.41 1.65 1zicA1 LEU 128 H 0.09 0.53 -0.12 -0.55 8.37 8.33 1zicA1 LEU 128 HA 0.14 0.03 0.37 -0.75 4.35 4.13 1zicA1 LEU 128 HB2 0.07 0.06 0.06 -0.04 1.64 1.78 1zicA1 LEU 128 HB3 0.11 0.00 -0.07 -0.04 1.64 1.64 1zicA1 LEU 128 HG 0.12 0.08 0.01 -0.04 1.64 1.81 1zicA1 LEU 128 HD13 0.08 -0.01 -0.14 -0.04 0.93 0.81 1zicA1 LEU 128 HD23 0.23 -0.02 -0.08 -0.04 0.89 0.99 1zicA1 ALA 129 H 0.14 0.27 -0.58 -0.55 8.40 7.69 1zicA1 ALA 129 HA 0.10 0.02 0.26 -0.75 4.34 3.97 1zicA1 ALA 129 HB3 0.10 0.04 -0.04 -0.04 1.41 1.46 1zicA1 PHE 130 H 0.42 0.33 -0.32 -0.55 8.34 8.22 1zicA1 PHE 130 HA 0.31 0.10 0.30 -0.75 4.62 4.56 1zicA1 PHE 130 HB2 -0.05 -0.04 0.03 -0.04 3.15 3.05 1zicA1 PHE 130 HB3 0.05 0.09 0.07 -0.04 3.06 3.22 1zicA1 PHE 130 HD2 -0.15 -0.01 -0.12 -0.04 7.28 6.96 1zicA1 PHE 130 HE2 -0.35 0.12 -0.09 -0.04 7.38 7.01 1zicA1 PHE 130 HZ -0.20 -0.00 -0.24 -0.04 7.32 6.83 1zicA1 LEU 131 H 0.16 0.39 -0.21 -0.55 8.37 8.16 1zicA1 LEU 131 HA -0.17 0.07 0.33 -0.75 4.35 3.83 1zicA1 LEU 131 HB2 0.08 0.05 0.09 -0.04 1.64 1.82 1zicA1 LEU 131 HB3 0.02 -0.03 -0.03 -0.04 1.64 1.56 1zicA1 LEU 131 HG 0.18 0.16 -0.01 -0.04 1.64 1.93 1zicA1 LEU 131 HD13 0.12 -0.03 -0.10 -0.04 0.93 0.87 1zicA1 LEU 131 HD23 0.10 -0.00 -0.06 -0.04 0.89 0.88 1zicA1 VAL 132 H 0.03 0.59 -0.19 -0.55 8.24 8.12 1zicA1 VAL 132 HA -0.13 0.01 0.50 -0.75 4.13 3.75 1zicA1 VAL 132 HB 0.06 0.12 0.10 -0.04 2.12 2.36 1zicA1 VAL 132 HG13 0.13 -0.01 -0.17 -0.04 0.97 0.88 1zicA1 VAL 132 HG23 0.14 0.00 -0.01 -0.04 0.95 1.04 1zicA1 ALA 133 H -0.04 0.50 -0.22 -0.55 8.40 8.09 1zicA1 ALA 133 HA -0.02 0.01 0.30 -0.75 4.34 3.88 1zicA1 ALA 133 HB3 0.01 0.03 0.02 -0.04 1.41 1.43 1zicA1 ALA 134 H -0.37 0.42 -0.28 -0.55 8.40 7.63 1zicA1 ALA 134 HA -0.26 0.08 0.22 -0.75 4.34 3.63 1zicA1 ALA 134 HB3 -0.37 -0.01 0.03 -0.04 1.41 1.02 1zicA1 LYS 135 H -0.31 0.27 -0.31 -0.55 8.42 7.52 1zicA1 LYS 135 HA -0.26 0.04 0.52 -0.75 4.32 3.87 1zicA1 LYS 135 HB2 -1.21 0.01 0.14 -0.04 1.87 0.77 1zicA1 LYS 135 HB3 -1.25 -0.05 0.03 -0.04 1.79 0.47 1zicA1 LYS 135 HG2 -0.30 0.28 0.08 -0.04 1.46 1.48 1zicA1 LYS 135 HG3 -0.40 -0.13 -0.02 -0.04 1.46 0.88 1zicA1 LYS 135 HD2 -0.16 0.00 0.02 -0.04 1.69 1.51 1zicA1 LYS 135 HD3 -0.16 0.05 -0.07 -0.04 1.68 1.46 1zicA1 LYS 135 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.83 1zicA1 LYS 135 HE3 0.02 -0.07 -0.04 -0.04 2.99 2.86 1zicA1 GLY 136 H -0.20 0.30 -0.21 -0.55 8.43 7.77 1zicA1 GLY 136 HA2 0.12 0.07 0.26 -0.51 4.01 3.96 1zicA1 GLY 136 HA3 0.06 0.12 0.54 -0.51 4.01 4.22 1zicA1 TYR 137 H -0.20 0.15 -0.04 -0.55 8.29 7.65 1zicA1 TYR 137 HA -0.01 0.15 0.24 -0.75 4.56 4.20 1zicA1 TYR 137 HB2 0.01 -0.06 -0.07 -0.04 3.06 2.90 1zicA1 TYR 137 HB3 0.01 -0.00 0.01 -0.04 2.98 2.97 1zicA1 TYR 137 HD2 0.02 0.03 -0.11 -0.04 7.15 7.05 1zicA1 TYR 137 HE2 0.00 -0.01 -0.07 -0.04 6.85 6.73 1zicA1 VAL 138 H 0.05 0.05 -0.26 -0.55 8.24 7.53 1zicA1 VAL 138 HA 0.01 0.32 1.17 -0.75 4.13 4.87 1zicA1 VAL 138 HB 0.01 0.06 -0.03 -0.04 2.12 2.12 1zicA1 VAL 138 HG13 0.07 -0.03 -0.28 -0.04 0.97 0.69 1zicA1 VAL 138 HG23 0.05 -0.03 -0.33 -0.04 0.95 0.60 1zicA1 ASP 139 H -0.05 0.45 0.31 -0.55 8.40 8.57 1zicA1 ASP 139 HA -0.22 0.09 0.45 -0.75 4.63 4.20 1zicA1 ASP 139 HB2 -0.05 0.11 0.23 -0.04 2.71 2.95 1zicA1 ASP 139 HB3 -0.08 -0.00 0.05 -0.04 2.70 2.63 1zicA1 ARG 140 H -0.03 0.20 0.16 -0.55 8.46 8.24 1zicA1 ARG 140 HA 0.03 0.40 0.66 -0.75 4.34 4.67 1zicA1 ARG 140 HB2 -0.13 -0.13 0.03 -0.04 1.90 1.63 1zicA1 ARG 140 HB3 -0.26 -0.02 -0.04 -0.04 1.80 1.44 1zicA1 ARG 140 HG2 -0.30 0.15 0.15 -0.04 1.67 1.63 1zicA1 ARG 140 HG3 -0.19 -0.10 -0.46 -0.04 1.67 0.88 1zicA1 ARG 140 HD2 -0.41 -0.04 0.02 -0.04 3.22 2.75 1zicA1 ARG 140 HD3 -1.32 0.02 0.02 -0.04 3.22 1.90 1zicA1 ALA 141 H 0.23 0.66 0.34 -0.55 8.40 9.08 1zicA1 ALA 141 HA 0.05 0.17 1.03 -0.75 4.34 4.84 1zicA1 ALA 141 HB3 0.05 -0.02 0.00 -0.04 1.41 1.40 1zicA1 VAL 142 H -0.08 0.55 0.37 -0.55 8.24 8.53 1zicA1 VAL 142 HA -0.57 0.34 1.06 -0.75 4.13 4.20 1zicA1 VAL 142 HB -0.05 -0.09 0.17 -0.04 2.12 2.10 1zicA1 VAL 142 HG13 -0.27 -0.03 -0.13 -0.04 0.97 0.49 1zicA1 VAL 142 HG23 -0.03 0.02 -0.20 -0.04 0.95 0.71 1zicA1 GLY 143 H -0.95 0.72 0.40 -0.55 8.43 8.05 1zicA1 GLY 143 HA2 -0.19 0.19 1.04 -0.51 4.01 4.54 1zicA1 GLY 143 HA3 -0.12 0.04 0.38 -0.51 4.01 3.81 1zicA1 TYR 144 H -0.24 0.80 0.37 -0.55 8.29 8.67 1zicA1 TYR 144 HA -0.34 0.17 1.03 -0.75 4.56 4.68 1zicA1 TYR 144 HB2 -1.06 -0.02 0.24 -0.04 3.06 2.18 1zicA1 TYR 144 HB3 -1.75 -0.12 0.01 -0.04 2.98 1.08 1zicA1 TYR 144 HD2 -0.72 -0.01 -0.10 -0.04 7.15 6.28 1zicA1 TYR 144 HE2 -0.21 0.05 -0.12 -0.04 6.85 6.52 1zicA1 TYR 145 H -0.01 0.92 0.36 -0.55 8.29 9.00 1zicA1 TYR 145 HA 0.06 0.13 0.40 -0.75 4.56 4.39 1zicA1 TYR 145 HB2 -0.14 -0.04 0.24 -0.04 3.06 3.07 1zicA1 TYR 145 HB3 0.07 0.01 0.17 -0.04 2.98 3.20 1zicA1 TYR 145 HD2 -0.42 0.10 0.03 -0.04 7.15 6.83 1zicA1 TYR 145 HE2 -0.78 0.07 -0.06 -0.04 6.85 6.05 1zicA1 GLY 146 H 0.10 0.16 -0.31 -0.55 8.43 7.84 1zicA1 GLY 146 HA2 0.07 0.17 0.48 -0.51 4.01 4.22 1zicA1 GLY 146 HA3 0.11 0.09 -0.10 -0.51 4.01 3.60 1zicA1 VAL 147 H 0.05 0.20 0.12 -0.55 8.24 8.07 1zicA1 VAL 147 HA 0.07 0.16 0.80 -0.75 4.13 4.41 1zicA1 VAL 147 HB 0.12 0.01 0.05 -0.04 2.12 2.26 1zicA1 VAL 147 HG13 0.13 0.03 -0.07 -0.04 0.97 1.01 1zicA1 VAL 147 HG23 -0.59 -0.01 -0.05 -0.04 0.95 0.26 1zicA1 GLY 148 H 0.10 0.22 0.14 -0.55 8.43 8.34 1zicA1 GLY 148 HA2 0.08 0.06 0.31 -0.51 4.01 3.95 1zicA1 GLY 148 HA3 0.10 0.19 0.39 -0.51 4.01 4.18 1zicA1 LEU 149 H -0.00 0.15 -0.31 -0.55 8.37 7.67 1zicA1 LEU 149 HA -0.07 0.15 0.28 -0.75 4.35 3.95 1zicA1 LEU 149 HB2 -0.20 -0.01 -0.06 -0.04 1.64 1.33 1zicA1 LEU 149 HB3 -0.40 0.09 -0.07 -0.04 1.64 1.22 1zicA1 LEU 149 HG -0.07 -0.09 -0.33 -0.04 1.64 1.11 1zicA1 LEU 149 HD13 -0.42 0.02 -0.13 -0.04 0.93 0.36 1zicA1 LEU 149 HD23 -0.24 0.04 -0.10 -0.04 0.89 0.55 1zicA1 GLU 150 H -0.01 0.03 -0.41 -0.55 8.60 7.66 1zicA1 GLU 150 HA -0.04 0.13 0.19 -0.75 4.29 3.81 1zicA1 GLU 150 HB2 -0.00 0.05 0.11 -0.04 2.09 2.21 1zicA1 GLU 150 HB3 -0.00 -0.01 0.06 -0.04 1.99 2.00 1zicA1 GLU 150 HG2 0.02 0.09 -0.41 -0.04 2.34 2.01 1zicA1 GLU 150 HG3 0.02 0.01 -0.05 -0.04 2.34 2.27 1zicA1 LYS 151 H 0.02 0.39 -0.56 -0.55 8.42 7.72 1zicA1 LYS 151 HA 0.03 0.16 0.76 -0.75 4.32 4.53 1zicA1 LYS 151 HB2 0.05 0.17 0.06 -0.04 1.87 2.11 1zicA1 LYS 151 HB3 0.05 0.00 0.13 -0.04 1.79 1.93 1zicA1 LYS 151 HG2 0.03 0.04 -0.04 -0.04 1.46 1.45 1zicA1 LYS 151 HG3 0.04 -0.14 -0.10 -0.04 1.46 1.22 1zicA1 LYS 151 HD2 0.05 -0.01 0.02 -0.04 1.69 1.70 1zicA1 LYS 151 HD3 0.03 0.03 0.02 -0.04 1.68 1.72 1zicA1 LYS 151 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 1zicA1 LYS 151 HE3 0.04 -0.05 -0.02 -0.04 2.99 2.92 1zicA1 GLN 152 H 0.04 0.46 -0.25 -0.55 8.47 8.17 1zicA1 GLN 152 HA 0.12 0.20 0.81 -0.75 4.36 4.74 1zicA1 GLN 152 HB2 0.16 0.08 0.03 -0.04 2.15 2.39 1zicA1 GLN 152 HB3 0.37 0.00 0.10 -0.04 2.02 2.46 1zicA1 GLN 152 HG2 0.11 0.04 -0.19 -0.04 2.40 2.32 1zicA1 GLN 152 HG3 0.22 -0.02 -0.10 -0.04 2.39 2.44 1zicA1 GLN 152 HE21 0.08 -0.00 -0.07 -0.04 6.97 6.94 1zicA1 GLN 152 HE22 0.09 -0.03 -0.13 -0.04 7.69 7.59 1zicA1 LEU 153 H 0.07 0.19 -0.25 -0.55 8.37 7.84 1zicA1 LEU 153 HA 0.15 0.11 0.23 -0.75 4.35 4.09 1zicA1 LEU 153 HB2 0.05 0.03 0.02 -0.04 1.64 1.71 1zicA1 LEU 153 HB3 0.08 0.05 0.06 -0.04 1.64 1.78 1zicA1 LEU 153 HG 0.02 -0.03 -0.03 -0.04 1.64 1.56 1zicA1 LEU 153 HD13 0.01 0.01 -0.16 -0.04 0.93 0.76 1zicA1 LEU 153 HD23 0.15 -0.02 -0.11 -0.04 0.89 0.88 1zicA1 ASN 154 H 0.08 0.08 -0.43 -0.55 8.53 7.71 1zicA1 ASN 154 HA 0.04 0.10 0.38 -0.75 4.76 4.53 1zicA1 ASN 154 HB2 0.03 0.05 -0.01 -0.04 2.88 2.91 1zicA1 ASN 154 HB3 0.04 -0.01 0.03 -0.04 2.79 2.81 1zicA1 ASN 154 HD21 0.05 0.00 -0.05 -0.04 7.03 6.99 1zicA1 ASN 154 HD22 0.03 0.03 -0.12 -0.04 7.74 7.64 1zicA1 LYS 155 H 0.14 0.40 -0.43 -0.55 8.42 7.98 1zicA1 LYS 155 HA -0.01 0.14 0.62 -0.75 4.32 4.33 1zicA1 LYS 155 HB2 0.14 0.13 0.03 -0.04 1.87 2.12 1zicA1 LYS 155 HB3 -0.17 0.00 0.06 -0.04 1.79 1.64 1zicA1 LYS 155 HG2 -0.01 0.03 -0.07 -0.04 1.46 1.37 1zicA1 LYS 155 HG3 0.07 -0.09 -0.06 -0.04 1.46 1.34 1zicA1 LYS 155 HD2 0.06 -0.03 -0.02 -0.04 1.69 1.66 1zicA1 LYS 155 HD3 -0.10 0.04 -0.02 -0.04 1.68 1.56 1zicA1 LYS 155 HE2 0.05 -0.03 -0.03 -0.04 2.99 2.94 1zicA1 LYS 155 HE3 0.02 -0.06 -0.03 -0.04 2.99 2.88 1zicA1 VAL 156 H 0.11 0.37 -0.30 -0.55 8.24 7.87 1zicA1 VAL 156 HA 0.04 -0.01 0.24 -0.75 4.13 3.65 1zicA1 VAL 156 HB 0.05 0.09 0.12 -0.04 2.12 2.34 1zicA1 VAL 156 HG13 -0.02 0.06 -0.10 -0.04 0.97 0.86 1zicA1 VAL 156 HG23 0.02 -0.05 -0.08 -0.04 0.95 0.80 1zicA1 PRO 157 HA -0.03 0.14 0.34 -0.51 4.44 4.38 1zicA1 PRO 157 HB2 -0.02 0.01 -0.02 -0.04 2.28 2.21 1zicA1 PRO 157 HB3 -0.01 -0.00 0.06 -0.04 2.02 2.03 1zicA1 PRO 157 HG2 -0.00 0.07 -0.00 -0.04 2.03 2.05 1zicA1 PRO 157 HG3 0.00 -0.03 0.02 -0.04 2.03 1.99 1zicA1 PRO 157 HD2 0.02 0.14 -0.34 -0.04 3.68 3.46 1zicA1 PRO 157 HD3 0.02 0.08 0.03 -0.04 3.65 3.74 1zicA1 GLU 158 H -0.06 0.32 -0.48 -0.55 8.60 7.84 1zicA1 GLU 158 HA -0.06 0.04 0.57 -0.75 4.29 4.08 1zicA1 GLU 158 HB2 -0.13 0.12 0.12 -0.04 2.09 2.16 1zicA1 GLU 158 HB3 -0.11 0.17 0.15 -0.04 1.99 2.16 1zicA1 GLU 158 HG2 -0.05 -0.03 0.01 -0.04 2.34 2.23 1zicA1 GLU 158 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.23 1zicA1 VAL 159 H -0.10 0.39 -0.22 -0.55 8.24 7.76 1zicA1 VAL 159 HA -0.12 0.14 0.43 -0.75 4.13 3.83 1zicA1 VAL 159 HB -0.08 0.05 0.12 -0.04 2.12 2.17 1zicA1 VAL 159 HG13 -0.01 -0.03 -0.17 -0.04 0.97 0.71 1zicA1 VAL 159 HG23 -0.24 -0.02 -0.17 -0.04 0.95 0.48 1zicA1 LYS 160 H -0.11 0.20 0.24 -0.55 8.42 8.19 1zicA1 LYS 160 HA -0.15 0.17 0.93 -0.75 4.32 4.52 1zicA1 LYS 160 HB2 -0.28 0.03 0.05 -0.04 1.87 1.63 1zicA1 LYS 160 HB3 -0.29 -0.08 0.16 -0.04 1.79 1.54 1zicA1 LYS 160 HG2 -0.10 0.01 -0.18 -0.04 1.46 1.14 1zicA1 LYS 160 HG3 -0.10 0.33 -0.21 -0.04 1.46 1.43 1zicA1 LYS 160 HD2 -0.07 0.03 0.01 -0.04 1.69 1.62 1zicA1 LYS 160 HD3 -0.10 -0.07 0.02 -0.04 1.68 1.48 1zicA1 LYS 160 HE2 -0.04 -0.10 0.01 -0.04 2.99 2.82 1zicA1 LYS 160 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.86 1zicA1 HIS 161 H -0.04 0.20 0.12 -0.55 8.41 8.14 1zicA1 HIS 161 HA -0.00 0.13 0.72 -0.75 4.63 4.72 1zicA1 HIS 161 HB2 -0.00 -0.10 -0.01 -0.04 3.26 3.11 1zicA1 HIS 161 HB3 -0.01 0.31 0.17 -0.04 3.20 3.63 1zicA1 HIS 161 HD2 -0.02 -0.12 -0.03 -0.04 6.97 6.76 1zicA1 HIS 161 HE1 -0.00 -0.09 0.02 -0.04 7.75 7.63 1zicA1 PRO 162 HA 0.16 0.25 0.44 -0.51 4.44 4.78 1zicA1 PRO 162 HB2 0.04 -0.07 0.12 -0.04 2.28 2.33 1zicA1 PRO 162 HB3 0.29 0.03 0.13 -0.04 2.02 2.43 1zicA1 PRO 162 HG2 -0.08 0.03 0.14 -0.04 2.03 2.08 1zicA1 PRO 162 HG3 0.04 0.00 0.12 -0.04 2.03 2.16 1zicA1 PRO 162 HD2 0.06 0.43 0.37 -0.04 3.68 4.50 1zicA1 PRO 162 HD3 0.09 0.09 0.30 -0.04 3.65 4.09 1zicA1 ALA 163 H 0.20 0.70 0.41 -0.55 8.40 9.16 1zicA1 ALA 163 HA 0.16 0.26 0.90 -0.75 4.34 4.91 1zicA1 ALA 163 HB3 0.25 -0.02 -0.01 -0.04 1.41 1.58 1zicA1 LEU 164 H -0.56 0.68 0.43 -0.55 8.37 8.38 1zicA1 LEU 164 HA -0.38 0.18 0.96 -0.75 4.35 4.36 1zicA1 LEU 164 HB2 -1.57 0.09 -0.04 -0.04 1.64 0.08 1zicA1 LEU 164 HB3 -1.25 0.03 0.16 -0.04 1.64 0.54 1zicA1 LEU 164 HG -0.94 -0.13 -0.40 -0.04 1.64 0.12 1zicA1 LEU 164 HD13 -0.26 -0.00 -0.11 -0.04 0.93 0.52 1zicA1 LEU 164 HD23 -0.38 -0.00 -0.20 -0.04 0.89 0.27 1zicA1 PHE 165 H -0.18 0.59 0.31 -0.55 8.34 8.51 1zicA1 PHE 165 HA -0.35 0.22 1.21 -0.75 4.62 4.95 1zicA1 PHE 165 HB2 -0.15 0.08 0.20 -0.04 3.15 3.24 1zicA1 PHE 165 HB3 -0.21 -0.11 0.01 -0.04 3.06 2.71 1zicA1 PHE 165 HD2 0.03 0.06 -0.08 -0.04 7.28 7.24 1zicA1 PHE 165 HE2 0.11 0.11 -0.15 -0.04 7.38 7.41 1zicA1 PHE 165 HZ 0.26 0.03 -0.30 -0.04 7.32 7.26 1zicA1 HIS 166 H -0.29 0.57 0.45 -0.55 8.41 8.60 1zicA1 HIS 166 HA 0.16 0.21 0.95 -0.75 4.63 5.19 1zicA1 HIS 166 HB2 -0.49 -0.17 0.25 -0.04 3.26 2.81 1zicA1 HIS 166 HB3 -0.03 -0.02 0.02 -0.04 3.20 3.13 1zicA1 HIS 166 HD2 -1.72 -0.06 -0.15 -0.04 6.97 5.00 1zicA1 HIS 166 HE1 -0.07 0.05 -0.07 -0.04 7.75 7.62 1zicA1 MET 167 H 0.07 0.80 0.37 -0.55 8.47 9.16 1zicA1 MET 167 HA 0.17 0.01 1.09 -0.75 4.52 5.03 1zicA1 MET 167 HB2 -1.41 0.10 0.01 -0.04 2.15 0.81 1zicA1 MET 167 HB3 -0.42 0.04 -0.04 -0.04 2.03 1.58 1zicA1 MET 167 HG2 -0.51 -0.01 -0.42 -0.04 2.63 1.64 1zicA1 MET 167 HG3 -1.21 0.07 -0.17 -0.04 2.56 1.21 1zicA1 MET 167 HE3 -0.17 0.03 -0.11 -0.04 2.10 1.81 1zicA1 GLY 168 H 0.35 0.08 0.15 -0.55 8.43 8.47 1zicA1 GLY 168 HA2 0.24 0.10 0.81 -0.51 4.01 4.64 1zicA1 GLY 168 HA3 0.29 0.07 0.22 -0.51 4.01 4.08 1zicA1 GLY 169 H 0.18 0.62 0.24 -0.55 8.43 8.93 1zicA1 GLY 169 HA2 0.26 0.10 0.43 -0.51 4.01 4.29 1zicA1 GLY 169 HA3 0.14 0.01 0.24 -0.51 4.01 3.89 1zicA1 GLN 170 H 0.10 0.55 -0.21 -0.55 8.47 8.36 1zicA1 GLN 170 HA -0.01 0.21 0.70 -0.75 4.36 4.50 1zicA1 GLN 170 HB2 0.08 -0.08 -0.44 -0.04 2.15 1.67 1zicA1 GLN 170 HB3 0.14 -0.03 0.04 -0.04 2.02 2.13 1zicA1 GLN 170 HG2 0.06 0.09 -0.17 -0.04 2.40 2.34 1zicA1 GLN 170 HG3 0.05 0.08 -0.28 -0.04 2.39 2.20 1zicA1 GLN 170 HE21 0.02 -0.03 0.01 -0.04 6.97 6.92 1zicA1 GLN 170 HE22 0.02 0.27 0.12 -0.04 7.69 8.07 1zicA1 ASP 171 H 0.08 0.49 -0.33 -0.55 8.40 8.09 1zicA1 ASP 171 HA 0.16 -0.02 0.85 -0.75 4.63 4.86 1zicA1 ASP 171 HB2 0.26 -0.06 -0.07 -0.04 2.71 2.81 1zicA1 ASP 171 HB3 0.26 0.24 0.20 -0.04 2.70 3.35 1zicA1 HIS 172 H 0.15 0.21 0.11 -0.55 8.41 8.33 1zicA1 HIS 172 HA 0.05 0.18 0.17 -0.75 4.63 4.28 1zicA1 HIS 172 HB2 -0.07 -0.00 0.09 -0.04 3.26 3.25 1zicA1 HIS 172 HB3 -0.05 0.04 0.10 -0.04 3.20 3.25 1zicA1 HIS 172 HD2 -0.00 -0.02 -0.03 -0.04 6.97 6.87 1zicA1 HIS 172 HE1 0.02 0.04 -0.03 -0.04 7.75 7.73 1zicA1 PHE 173 H 0.17 -0.03 -0.41 -0.55 8.34 7.52 1zicA1 PHE 173 HA 0.08 0.14 0.59 -0.75 4.62 4.67 1zicA1 PHE 173 HB2 0.10 -0.05 -0.06 -0.04 3.15 3.10 1zicA1 PHE 173 HB3 0.11 -0.04 -0.02 -0.04 3.06 3.08 1zicA1 PHE 173 HD2 -0.19 -0.02 0.03 -0.04 7.28 7.07 1zicA1 PHE 173 HE2 -0.19 0.01 0.01 -0.04 7.38 7.16 1zicA1 PHE 173 HZ 0.21 0.02 0.00 -0.04 7.32 7.51 1zicA1 VAL 174 H 0.18 0.52 -0.29 -0.55 8.24 8.10 1zicA1 VAL 174 HA 0.15 0.14 0.80 -0.75 4.13 4.46 1zicA1 VAL 174 HB 0.29 0.09 0.18 -0.04 2.12 2.63 1zicA1 VAL 174 HG13 0.29 -0.02 -0.13 -0.04 0.97 1.07 1zicA1 VAL 174 HG23 0.25 -0.05 -0.15 -0.04 0.95 0.96 1zicA1 PRO 175 HA -0.06 0.18 0.51 -0.51 4.44 4.56 1zicA1 PRO 175 HB2 0.02 0.00 0.08 -0.04 2.28 2.34 1zicA1 PRO 175 HB3 0.07 0.08 0.08 -0.04 2.02 2.21 1zicA1 PRO 175 HG2 0.03 -0.09 0.02 -0.04 2.03 1.94 1zicA1 PRO 175 HG3 0.05 0.11 0.03 -0.04 2.03 2.18 1zicA1 PRO 175 HD2 0.08 0.09 -0.04 -0.04 3.68 3.77 1zicA1 PRO 175 HD3 0.09 0.32 -0.36 -0.04 3.65 3.65 1zicA1 ALA 176 H -0.04 0.16 0.14 -0.55 8.40 8.11 1zicA1 ALA 176 HA -0.14 0.06 0.34 -0.75 4.34 3.84 1zicA1 ALA 176 HB3 -0.07 0.03 0.11 -0.04 1.41 1.44 1zicA1 PRO 177 HA -0.05 0.10 0.43 -0.51 4.44 4.41 1zicA1 PRO 177 HB2 -0.01 0.06 -0.03 -0.04 2.28 2.26 1zicA1 PRO 177 HB3 -0.02 0.06 0.07 -0.04 2.02 2.08 1zicA1 PRO 177 HG2 -0.00 0.01 -0.01 -0.04 2.03 1.98 1zicA1 PRO 177 HG3 -0.01 0.08 0.02 -0.04 2.03 2.08 1zicA1 PRO 177 HD2 -0.01 -0.05 -0.26 -0.04 3.68 3.31 1zicA1 PRO 177 HD3 -0.02 0.14 0.05 -0.04 3.65 3.78 1zicA1 SER 178 H -0.01 0.25 -0.21 -0.55 8.46 7.94 1zicA1 SER 178 HA -0.01 0.05 0.44 -0.75 4.49 4.22 1zicA1 SER 178 HB2 0.04 0.11 -0.02 -0.04 3.95 4.04 1zicA1 SER 178 HB3 0.05 -0.11 -0.01 -0.04 3.93 3.82 1zicA1 ARG 179 H -0.08 0.61 -0.26 -0.55 8.46 8.17 1zicA1 ARG 179 HA -0.02 -0.02 0.34 -0.75 4.34 3.89 1zicA1 ARG 179 HB2 -0.42 0.05 -0.05 -0.04 1.90 1.45 1zicA1 ARG 179 HB3 -0.33 0.10 0.04 -0.04 1.80 1.57 1zicA1 ARG 179 HG2 -0.75 0.03 -0.30 -0.04 1.67 0.62 1zicA1 ARG 179 HG3 -2.22 -0.06 -0.09 -0.04 1.67 -0.73 1zicA1 ARG 179 HD2 -0.84 0.02 -0.06 -0.04 3.22 2.29 1zicA1 ARG 179 HD3 -0.51 0.00 -0.04 -0.04 3.22 2.63 1zicA1 GLN 180 H -0.15 0.53 -0.24 -0.55 8.47 8.06 1zicA1 GLN 180 HA -0.18 0.02 0.30 -0.75 4.36 3.75 1zicA1 GLN 180 HB2 -0.12 -0.00 0.09 -0.04 2.15 2.07 1zicA1 GLN 180 HB3 -0.08 0.13 0.17 -0.04 2.02 2.20 1zicA1 GLN 180 HG2 -0.05 0.01 -0.24 -0.04 2.40 2.08 1zicA1 GLN 180 HG3 -0.08 -0.03 0.02 -0.04 2.39 2.26 1zicA1 GLN 180 HE21 -0.03 -0.01 -0.02 -0.04 6.97 6.86 1zicA1 GLN 180 HE22 -0.03 0.01 -0.05 -0.04 7.69 7.58 1zicA1 LEU 181 H -0.06 0.43 -0.17 -0.55 8.37 8.02 1zicA1 LEU 181 HA -0.02 0.04 0.38 -0.75 4.35 4.00 1zicA1 LEU 181 HB2 -0.02 0.03 0.18 -0.04 1.64 1.79 1zicA1 LEU 181 HB3 -0.01 -0.00 0.04 -0.04 1.64 1.63 1zicA1 LEU 181 HG -0.02 0.17 0.11 -0.04 1.64 1.86 1zicA1 LEU 181 HD13 -0.00 -0.02 -0.01 -0.04 0.93 0.85 1zicA1 LEU 181 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 1zicA1 ILE 182 H -0.05 0.55 -0.18 -0.55 8.25 8.03 1zicA1 ILE 182 HA -0.17 0.04 0.37 -0.75 4.18 3.67 1zicA1 ILE 182 HB 0.05 0.09 0.07 -0.04 1.89 2.06 1zicA1 ILE 182 HG12 -0.27 -0.03 -0.28 -0.04 1.49 0.87 1zicA1 ILE 182 HG13 -0.08 0.06 -0.03 -0.04 1.21 1.13 1zicA1 ILE 182 HG23 -0.85 -0.00 -0.21 -0.04 0.93 -0.17 1zicA1 ILE 182 HD13 -0.01 -0.06 -0.16 -0.04 0.88 0.61 1zicA1 THR 183 H -0.02 0.61 -0.17 -0.55 8.28 8.15 1zicA1 THR 183 HA 0.13 0.02 0.34 -0.75 4.39 4.12 1zicA1 THR 183 HB -0.10 0.06 0.15 -0.04 4.32 4.40 1zicA1 THR 183 HG23 0.01 -0.01 -0.09 -0.04 1.22 1.09 1zicA1 GLU 184 H -0.01 0.60 -0.13 -0.55 8.60 8.50 1zicA1 GLU 184 HA 0.03 0.05 0.32 -0.75 4.29 3.94 1zicA1 GLU 184 HB2 -0.00 0.06 0.16 -0.04 2.09 2.26 1zicA1 GLU 184 HB3 0.01 -0.02 -0.00 -0.04 1.99 1.94 1zicA1 GLU 184 HG2 -0.01 -0.02 0.01 -0.04 2.34 2.28 1zicA1 GLU 184 HG3 -0.03 -0.01 0.04 -0.04 2.34 2.29 1zicA1 GLY 185 H 0.05 0.58 -0.11 -0.55 8.43 8.40 1zicA1 GLY 185 HA2 0.08 0.03 0.37 -0.51 4.01 3.97 1zicA1 GLY 185 HA3 0.12 0.01 0.33 -0.51 4.01 3.97 1zicA1 PHE 186 H 0.30 0.78 -0.01 -0.55 8.34 8.85 1zicA1 PHE 186 HA 0.01 0.02 0.40 -0.75 4.62 4.30 1zicA1 PHE 186 HB2 -0.00 0.16 0.05 -0.04 3.15 3.32 1zicA1 PHE 186 HB3 -0.01 0.00 -0.13 -0.04 3.06 2.89 1zicA1 PHE 186 HD2 -0.11 -0.02 -0.13 -0.04 7.28 6.99 1zicA1 PHE 186 HE2 -0.90 -0.04 -0.11 -0.04 7.38 6.29 1zicA1 PHE 186 HZ -1.49 -0.09 -0.10 -0.04 7.32 5.59 1zicA1 GLY 187 H 0.15 0.27 -0.61 -0.55 8.43 7.70 1zicA1 GLY 187 HA2 0.09 -0.01 0.31 -0.51 4.01 3.89 1zicA1 GLY 187 HA3 0.07 0.03 0.28 -0.51 4.01 3.88 1zicA1 ALA 188 H 0.07 0.35 -0.55 -0.55 8.40 7.73 1zicA1 ALA 188 HA 0.03 0.04 0.49 -0.75 4.34 4.14 1zicA1 ALA 188 HB3 0.03 -0.00 0.08 -0.04 1.41 1.48 1zicA1 ASN 189 H 0.03 0.53 -0.28 -0.55 8.53 8.28 1zicA1 ASN 189 HA 0.00 0.17 0.89 -0.75 4.76 5.07 1zicA1 ASN 189 HB2 -0.02 -0.03 -0.14 -0.04 2.88 2.66 1zicA1 ASN 189 HB3 -0.03 -0.01 0.19 -0.04 2.79 2.89 1zicA1 ASN 189 HD21 -0.05 0.45 0.11 -0.04 7.03 7.50 1zicA1 ASN 189 HD22 -0.05 0.27 0.07 -0.04 7.74 7.99 1zicA1 PRO 190 HA 0.03 0.17 0.36 -0.51 4.44 4.49 1zicA1 PRO 190 HB2 0.02 0.01 -0.02 -0.04 2.28 2.26 1zicA1 PRO 190 HB3 0.03 -0.01 0.11 -0.04 2.02 2.10 1zicA1 PRO 190 HG2 0.01 -0.00 0.06 -0.04 2.03 2.06 1zicA1 PRO 190 HG3 0.02 0.05 0.04 -0.04 2.03 2.09 1zicA1 PRO 190 HD2 0.00 0.09 0.17 -0.04 3.68 3.90 1zicA1 PRO 190 HD3 0.01 0.27 0.20 -0.04 3.65 4.09 1zicA1 LEU 191 H 0.01 0.09 -0.47 -0.55 8.37 7.46 1zicA1 LEU 191 HA 0.06 0.06 0.46 -0.75 4.35 4.18 1zicA1 LEU 191 HB2 -0.00 0.08 -0.11 -0.04 1.64 1.57 1zicA1 LEU 191 HB3 0.04 0.01 -0.31 -0.04 1.64 1.34 1zicA1 LEU 191 HG -0.00 -0.09 -0.11 -0.04 1.64 1.41 1zicA1 LEU 191 HD13 -0.06 0.04 -0.26 -0.04 0.93 0.60 1zicA1 LEU 191 HD23 0.02 -0.01 -0.13 -0.04 0.89 0.72 1zicA1 LEU 192 H 0.03 0.52 -0.15 -0.55 8.37 8.23 1zicA1 LEU 192 HA 0.11 0.23 0.88 -0.75 4.35 4.82 1zicA1 LEU 192 HB2 -0.00 0.29 0.18 -0.04 1.64 2.06 1zicA1 LEU 192 HB3 0.03 -0.13 -0.03 -0.04 1.64 1.46 1zicA1 LEU 192 HG -0.06 0.01 -0.06 -0.04 1.64 1.48 1zicA1 LEU 192 HD13 -0.62 -0.02 0.04 -0.04 0.93 0.28 1zicA1 LEU 192 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 1zicA1 GLN 193 H 0.10 0.55 0.44 -0.55 8.47 9.02 1zicA1 GLN 193 HA -0.02 0.21 0.84 -0.75 4.36 4.63 1zicA1 GLN 193 HB2 -0.16 -0.06 0.15 -0.04 2.15 2.04 1zicA1 GLN 193 HB3 -0.23 -0.09 0.02 -0.04 2.02 1.67 1zicA1 GLN 193 HG2 -0.02 0.05 -0.02 -0.04 2.40 2.37 1zicA1 GLN 193 HG3 0.04 0.12 -0.32 -0.04 2.39 2.19 1zicA1 GLN 193 HE21 0.20 -0.02 -0.06 -0.04 6.97 7.05 1zicA1 GLN 193 HE22 0.19 0.10 -0.10 -0.04 7.69 7.85 1zicA1 VAL 194 H -0.12 0.31 0.11 -0.55 8.24 7.99 1zicA1 VAL 194 HA -0.14 0.21 0.81 -0.75 4.13 4.26 1zicA1 VAL 194 HB 0.02 0.06 -0.07 -0.04 2.12 2.09 1zicA1 VAL 194 HG13 0.10 0.01 -0.07 -0.04 0.97 0.96 1zicA1 VAL 194 HG23 -0.67 -0.04 -0.21 -0.04 0.95 -0.02 1zicA1 HIS 195 H -0.19 0.59 0.33 -0.55 8.41 8.60 1zicA1 HIS 195 HA -0.13 0.22 0.96 -0.75 4.63 4.92 1zicA1 HIS 195 HB2 0.06 -0.06 0.13 -0.04 3.26 3.35 1zicA1 HIS 195 HB3 -0.39 -0.00 -0.02 -0.04 3.20 2.75 1zicA1 HIS 195 HD2 -0.06 -0.00 0.03 -0.04 6.97 6.89 1zicA1 HIS 195 HE1 -0.01 0.07 -0.07 -0.04 7.75 7.70 1zicA1 TRP 196 H 0.08 0.26 0.19 -0.55 7.97 7.96 1zicA1 TRP 196 HA 0.07 0.25 0.91 -0.75 4.62 5.09 1zicA1 TRP 196 HB2 -0.07 0.01 0.07 -0.04 3.23 3.20 1zicA1 TRP 196 HB3 -0.02 -0.03 -0.12 -0.04 3.23 3.02 1zicA1 TRP 196 HD1 -0.05 0.05 -0.05 -0.04 7.22 7.13 1zicA1 TRP 196 HE1 -0.08 0.09 -0.14 -0.04 10.20 10.03 1zicA1 TRP 196 HE3 0.03 -0.01 -0.35 -0.04 7.59 7.22 1zicA1 TRP 196 HZ2 -0.18 0.04 -0.12 -0.04 7.44 7.14 1zicA1 TRP 196 HZ3 0.01 0.05 -0.10 -0.04 7.13 7.05 1zicA1 TRP 196 HH2 -0.10 -0.05 -0.08 -0.04 7.19 6.92 1zicA1 TYR 197 H 0.25 0.60 0.33 -0.55 8.29 8.92 1zicA1 TYR 197 HA -0.05 0.15 0.68 -0.75 4.56 4.58 1zicA1 TYR 197 HB2 -0.42 -0.02 0.18 -0.04 3.06 2.75 1zicA1 TYR 197 HB3 -0.43 -0.07 0.04 -0.04 2.98 2.48 1zicA1 TYR 197 HD2 -0.08 0.09 -0.02 -0.04 7.15 7.10 1zicA1 TYR 197 HE2 0.07 0.01 -0.03 -0.04 6.85 6.86 1zicA1 GLU 198 H -0.01 0.29 0.15 -0.55 8.60 8.49 1zicA1 GLU 198 HA 0.07 0.02 0.11 -0.75 4.29 3.74 1zicA1 GLU 198 HB2 0.00 0.01 0.07 -0.04 2.09 2.14 1zicA1 GLU 198 HB3 0.01 0.06 0.08 -0.04 1.99 2.10 1zicA1 GLU 198 HG2 0.01 0.04 0.07 -0.04 2.34 2.43 1zicA1 GLU 198 HG3 0.00 0.06 0.04 -0.04 2.34 2.40 1zicA1 GLU 199 H -0.01 0.04 -0.26 -0.55 8.60 7.82 1zicA1 GLU 199 HA 0.00 0.28 0.90 -0.75 4.29 4.72 1zicA1 GLU 199 HB2 -0.04 -0.06 0.03 -0.04 2.09 1.97 1zicA1 GLU 199 HB3 -0.02 0.05 0.16 -0.04 1.99 2.14 1zicA1 GLU 199 HG2 -0.01 -0.11 -0.07 -0.04 2.34 2.11 1zicA1 GLU 199 HG3 -0.02 0.03 -0.01 -0.04 2.34 2.30 1zicA1 ALA 200 H -0.01 0.40 -0.11 -0.55 8.40 8.13 1zicA1 ALA 200 HA -0.03 0.27 0.94 -0.75 4.34 4.76 1zicA1 ALA 200 HB3 -0.37 -0.01 -0.03 -0.04 1.41 0.97 1zicA1 GLY 201 H 0.08 0.27 0.03 -0.55 8.43 8.27 1zicA1 GLY 201 HA2 0.15 -0.00 0.22 -0.51 4.01 3.86 1zicA1 GLY 201 HA3 0.13 0.15 0.22 -0.51 4.01 3.99 1zicA1 HIS 202 H 0.21 0.15 0.16 -0.55 8.41 8.38 1zicA1 HIS 202 HA -0.21 0.05 0.51 -0.75 4.63 4.23 1zicA1 HIS 202 HB2 0.22 -0.05 0.16 -0.04 3.26 3.55 1zicA1 HIS 202 HB3 0.08 0.06 0.03 -0.04 3.20 3.34 1zicA1 HIS 202 HD2 0.08 0.01 -0.01 -0.04 6.97 7.00 1zicA1 HIS 202 HE1 -0.07 0.29 0.08 -0.04 7.75 8.00 1zicA1 SER 203 H -2.03 0.14 0.16 -0.55 8.46 6.17 1zicA1 SER 203 HA -0.77 -0.01 0.27 -0.75 4.49 3.23 1zicA1 SER 203 HB2 -0.11 0.22 -0.09 -0.04 3.95 3.93 1zicA1 SER 203 HB3 -0.20 -0.05 0.15 -0.04 3.93 3.79 1zicA1 PHE 204 H -0.65 0.14 -0.31 -0.55 8.34 6.96 1zicA1 PHE 204 HA -0.09 0.32 -0.16 -0.75 4.62 3.94 1zicA1 PHE 204 HB2 -0.10 -0.04 0.09 -0.04 3.15 3.05 1zicA1 PHE 204 HB3 -0.10 0.11 -0.08 -0.04 3.06 2.96 1zicA1 PHE 204 HD2 -0.05 0.17 -0.29 -0.04 7.28 7.07 1zicA1 PHE 204 HE2 -0.11 0.06 -0.40 -0.04 7.38 6.88 1zicA1 PHE 204 HZ -0.77 0.04 -0.17 -0.04 7.32 6.38 1zicA1 ALA 205 H -0.14 -0.02 -0.45 -0.55 8.40 7.25 1zicA1 ALA 205 HA 0.12 0.20 0.70 -0.75 4.34 4.60 1zicA1 ALA 205 HB3 -0.15 0.02 -0.02 -0.04 1.41 1.21 1zicA1 ALA 206 H -0.16 0.39 -0.26 -0.55 8.40 7.81 1zicA1 ALA 206 HA -0.44 0.14 0.68 -0.75 4.34 3.96 1zicA1 ALA 206 HB3 -0.84 0.00 0.08 -0.04 1.41 0.61 1zicA1 THR 207 H -0.26 0.23 0.10 -0.55 8.28 7.80 1zicA1 THR 207 HA -1.56 0.10 0.13 -0.75 4.39 2.31 1zicA1 THR 207 HB -0.54 0.06 0.03 -0.04 4.32 3.83 1zicA1 THR 207 HG23 -0.48 0.03 -0.00 -0.04 1.22 0.73 1zicA1 SER 208 H -0.24 -0.06 -0.35 -0.55 8.46 7.26 1zicA1 SER 208 HA -0.15 0.27 0.75 -0.75 4.49 4.60 1zicA1 SER 208 HB2 -0.12 0.01 0.06 -0.04 3.95 3.86 1zicA1 SER 208 HB3 -0.12 0.04 -0.00 -0.04 3.93 3.80 1zicA1 SER 209 H -0.17 0.36 -0.25 -0.55 8.46 7.85 1zicA1 SER 209 HA -0.09 0.07 0.45 -0.75 4.49 4.16 1zicA1 SER 209 HB2 -0.17 -0.09 0.09 -0.04 3.95 3.74 1zicA1 SER 209 HB3 -0.09 0.28 0.12 -0.04 3.93 4.21 1zicA1 SER 210 H -0.01 0.13 0.17 -0.55 8.46 8.20 1zicA1 SER 210 HA 0.02 0.18 0.51 -0.75 4.49 4.45 1zicA1 SER 210 HB2 0.02 0.05 0.12 -0.04 3.95 4.09 1zicA1 SER 210 HB3 0.01 0.03 0.14 -0.04 3.93 4.07 1zicA1 GLY 211 H 0.01 -0.08 -0.42 -0.55 8.43 7.40 1zicA1 GLY 211 HA2 0.04 0.14 0.45 -0.51 4.01 4.14 1zicA1 GLY 211 HA3 0.03 0.04 0.17 -0.51 4.01 3.74 1zicA1 TYR 212 H 0.12 0.40 -0.54 -0.55 8.29 7.72 1zicA1 TYR 212 HA -0.01 -0.02 0.20 -0.75 4.56 3.98 1zicA1 TYR 212 HB2 -0.07 0.20 0.01 -0.04 3.06 3.15 1zicA1 TYR 212 HB3 -0.03 0.05 -0.01 -0.04 2.98 2.95 1zicA1 TYR 212 HD2 -0.04 -0.01 -0.39 -0.04 7.15 6.67 1zicA1 TYR 212 HE2 -0.03 0.01 -0.14 -0.04 6.85 6.65 1zicA1 VAL 213 H -0.32 0.57 0.21 -0.55 8.24 8.15 1zicA1 VAL 213 HA -0.27 0.22 0.82 -0.75 4.13 4.14 1zicA1 VAL 213 HB -0.17 -0.11 0.16 -0.04 2.12 1.96 1zicA1 VAL 213 HG13 -0.14 -0.08 -0.07 -0.04 0.97 0.63 1zicA1 VAL 213 HG23 -0.06 0.12 -0.08 -0.04 0.95 0.89 1zicA1 ALA 214 H -0.42 0.27 0.05 -0.55 8.40 7.75 1zicA1 ALA 214 HA -0.52 0.09 0.30 -0.75 4.34 3.46 1zicA1 ALA 214 HB3 -0.01 0.04 0.07 -0.04 1.41 1.47 1zicA1 SER 215 H -0.13 0.11 -0.12 -0.55 8.46 7.77 1zicA1 SER 215 HA -0.03 0.14 0.33 -0.75 4.49 4.17 1zicA1 SER 215 HB2 -0.02 0.07 0.00 -0.04 3.95 3.96 1zicA1 SER 215 HB3 -0.04 0.05 0.07 -0.04 3.93 3.97 1zicA1 ALA 216 H -0.15 0.09 -0.22 -0.55 8.40 7.58 1zicA1 ALA 216 HA -0.04 0.08 0.52 -0.75 4.34 4.15 1zicA1 ALA 216 HB3 -0.60 0.01 -0.02 -0.04 1.41 0.76 1zicA1 ALA 217 H -0.05 0.71 -0.07 -0.55 8.40 8.44 1zicA1 ALA 217 HA 0.23 -0.06 0.40 -0.75 4.34 4.15 1zicA1 ALA 217 HB3 0.07 0.08 0.09 -0.04 1.41 1.61 1zicA1 ALA 218 H -0.01 0.54 -0.21 -0.55 8.40 8.17 1zicA1 ALA 218 HA 0.03 0.04 0.32 -0.75 4.34 3.98 1zicA1 ALA 218 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 1zicA1 LEU 219 H 0.02 0.47 -0.11 -0.55 8.37 8.20 1zicA1 LEU 219 HA 0.05 0.06 0.44 -0.75 4.35 4.15 1zicA1 LEU 219 HB2 0.06 0.04 0.13 -0.04 1.64 1.83 1zicA1 LEU 219 HB3 0.16 -0.01 0.16 -0.04 1.64 1.91 1zicA1 LEU 219 HG 0.14 -0.01 -0.20 -0.04 1.64 1.53 1zicA1 LEU 219 HD13 0.02 0.00 0.04 -0.04 0.93 0.95 1zicA1 LEU 219 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.86 1zicA1 ALA 220 H -0.10 0.65 -0.12 -0.55 8.40 8.29 1zicA1 ALA 220 HA -0.25 0.05 0.42 -0.75 4.34 3.80 1zicA1 ALA 220 HB3 -0.81 -0.02 0.03 -0.04 1.41 0.57 1zicA1 ASN 221 H -0.00 0.69 -0.13 -0.55 8.53 8.54 1zicA1 ASN 221 HA 0.29 -0.02 0.38 -0.75 4.76 4.66 1zicA1 ASN 221 HB2 0.06 0.11 0.14 -0.04 2.88 3.15 1zicA1 ASN 221 HB3 0.31 -0.00 -0.04 -0.04 2.79 3.02 1zicA1 ASN 221 HD21 -0.53 -0.06 -0.04 -0.04 7.03 6.37 1zicA1 ASN 221 HD22 -0.31 0.01 -0.08 -0.04 7.74 7.32 1zicA1 GLU 222 H 0.11 0.55 -0.19 -0.55 8.60 8.52 1zicA1 GLU 222 HA 0.19 0.06 0.47 -0.75 4.29 4.25 1zicA1 GLU 222 HB2 0.10 -0.02 0.07 -0.04 2.09 2.20 1zicA1 GLU 222 HB3 0.11 0.03 0.11 -0.04 1.99 2.20 1zicA1 GLU 222 HG2 0.07 0.15 0.21 -0.04 2.34 2.73 1zicA1 GLU 222 HG3 0.07 -0.01 -0.12 -0.04 2.34 2.24 1zicA1 ARG 223 H 0.09 0.50 -0.21 -0.55 8.46 8.28 1zicA1 ARG 223 HA 0.12 0.04 0.42 -0.75 4.34 4.16 1zicA1 ARG 223 HB2 0.16 0.09 0.17 -0.04 1.90 2.27 1zicA1 ARG 223 HB3 0.15 -0.03 -0.04 -0.04 1.80 1.84 1zicA1 ARG 223 HG2 0.02 -0.01 0.01 -0.04 1.67 1.65 1zicA1 ARG 223 HG3 0.03 0.04 0.04 -0.04 1.67 1.74 1zicA1 ARG 223 HD2 0.00 -0.03 -0.16 -0.04 3.22 2.99 1zicA1 ARG 223 HD3 -0.32 -0.03 -0.06 -0.04 3.22 2.77 1zicA1 THR 224 H 0.17 0.56 -0.15 -0.55 8.28 8.32 1zicA1 THR 224 HA 0.17 0.02 0.36 -0.75 4.39 4.18 1zicA1 THR 224 HB 0.44 0.14 0.14 -0.04 4.32 5.00 1zicA1 THR 224 HG23 0.28 -0.01 -0.18 -0.04 1.22 1.27 1zicA1 LEU 225 H 0.22 0.54 -0.17 -0.55 8.37 8.40 1zicA1 LEU 225 HA -0.00 0.03 0.37 -0.75 4.35 3.99 1zicA1 LEU 225 HB2 0.14 0.05 0.14 -0.04 1.64 1.93 1zicA1 LEU 225 HB3 0.08 0.02 0.02 -0.04 1.64 1.72 1zicA1 LEU 225 HG 0.23 0.08 0.05 -0.04 1.64 1.96 1zicA1 LEU 225 HD13 0.16 -0.02 -0.06 -0.04 0.93 0.97 1zicA1 LEU 225 HD23 -0.47 -0.00 -0.07 -0.04 0.89 0.30 1zicA1 ASP 226 H 0.14 0.58 -0.13 -0.55 8.40 8.44 1zicA1 ASP 226 HA 0.10 0.03 0.42 -0.75 4.63 4.42 1zicA1 ASP 226 HB2 0.14 0.06 0.15 -0.04 2.71 3.02 1zicA1 ASP 226 HB3 0.11 -0.03 0.02 -0.04 2.70 2.75 1zicA1 PHE 227 H 0.27 0.41 -0.37 -0.55 8.34 8.10 1zicA1 PHE 227 HA 0.03 0.03 0.40 -0.75 4.62 4.33 1zicA1 PHE 227 HB2 0.04 -0.02 0.06 -0.04 3.15 3.19 1zicA1 PHE 227 HB3 0.02 0.11 0.13 -0.04 3.06 3.27 1zicA1 PHE 227 HD2 -0.01 -0.00 -0.12 -0.04 7.28 7.10 1zicA1 PHE 227 HE2 -0.04 0.01 -0.14 -0.04 7.38 7.17 1zicA1 PHE 227 HZ -0.02 -0.03 -0.59 -0.04 7.32 6.63 1zicA1 LEU 228 H 0.13 0.39 -0.16 -0.55 8.37 8.19 1zicA1 LEU 228 HA -0.11 0.10 0.58 -0.75 4.35 4.16 1zicA1 LEU 228 HB2 -0.13 0.07 0.01 -0.04 1.64 1.55 1zicA1 LEU 228 HB3 -0.16 -0.06 -0.05 -0.04 1.64 1.33 1zicA1 LEU 228 HG 0.09 0.17 -0.06 -0.04 1.64 1.80 1zicA1 LEU 228 HD13 -0.39 -0.04 -0.17 -0.04 0.93 0.28 1zicA1 LEU 228 HD23 -0.00 -0.01 -0.16 -0.04 0.89 0.67 1zicA1 ALA 229 H 0.08 0.30 -0.31 -0.55 8.40 7.92 1zicA1 ALA 229 HA 0.14 -0.00 0.26 -0.75 4.34 3.97 1zicA1 ALA 229 HB3 0.06 0.04 0.09 -0.04 1.41 1.55 1zicA1 PRO 230 HA -0.02 0.05 0.44 -0.51 4.44 4.40 1zicA1 PRO 230 HB2 -0.08 0.05 -0.07 -0.04 2.28 2.14 1zicA1 PRO 230 HB3 -0.04 -0.03 0.08 -0.04 2.02 1.99 1zicA1 PRO 230 HG2 -0.08 0.05 0.03 -0.04 2.03 1.98 1zicA1 PRO 230 HG3 -0.02 -0.04 0.03 -0.04 2.03 1.95 1zicA1 PRO 230 HD2 -0.09 0.27 -0.47 -0.04 3.68 3.35 1zicA1 PRO 230 HD3 0.00 0.22 -0.05 -0.04 3.65 3.78 1zicA1 LEU 231 H 0.00 0.53 -0.36 -0.55 8.37 7.99 1zicA1 LEU 231 HA -0.02 0.03 0.50 -0.75 4.35 4.10 1zicA1 LEU 231 HB2 0.12 0.10 -0.05 -0.04 1.64 1.77 1zicA1 LEU 231 HB3 0.04 -0.16 -0.02 -0.04 1.64 1.45 1zicA1 LEU 231 HG -0.06 0.10 0.00 -0.04 1.64 1.65 1zicA1 LEU 231 HD13 -0.00 -0.05 -0.16 -0.04 0.93 0.68 1zicA1 LEU 231 HD23 -0.06 -0.02 -0.09 -0.04 0.89 0.68 1zicA1 GLN 232 H -0.01 0.52 -0.27 -0.55 8.47 8.17 1zicA1 GLN 232 HA -0.08 -0.02 0.53 -0.75 4.36 4.04 1zicA1 GLN 232 HB2 -0.05 0.17 0.16 -0.04 2.15 2.39 1zicA1 GLN 232 HB3 -0.09 0.03 0.04 -0.04 2.02 1.97 1zicA1 GLN 232 HG2 -0.29 0.03 0.08 -0.04 2.40 2.18 1zicA1 GLN 232 HG3 -0.19 -0.07 0.00 -0.04 2.39 2.09 1zicA1 GLN 232 HE21 -0.17 -0.06 0.03 -0.04 6.97 6.74 1zicA1 GLN 232 HE22 -0.54 0.08 0.01 -0.04 7.69 7.20 1zicA1 SER 233 H -0.06 0.10 0.10 -0.55 8.46 8.05 1zicA1 SER 233 HA -0.03 0.17 0.36 -0.75 4.49 4.24 1zicA1 SER 233 HB2 -0.04 0.02 0.09 -0.04 3.95 3.99 1zicA1 SER 233 HB3 -0.03 -0.03 0.07 -0.04 3.93 3.90