============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 8 1.000 7.069 50.563 52.843 -99.200 -91.000 TYR 10 0.840 16.199 44.384 52.034 -99.200 -91.000 HIS 12 0.900 15.967 55.369 53.470 -99.200 -91.000 HIS 18 0.900 22.700 48.844 44.686 -99.200 -91.000 PHE 22 1.000 18.063 58.834 40.240 -99.200 -91.000 TYR 24 0.840 21.428 65.498 49.004 -99.200 -91.000 PHE 26 1.000 12.843 60.689 43.581 -99.200 -91.000 TRP 38 1.040 12.810 55.326 50.742 -99.200 -91.000 TRP6 38 1.020 12.299 55.303 53.053 -99.200 -91.000 TYR 41 0.840 16.796 52.589 43.080 -99.200 -91.000 PHE 54 1.000 15.656 37.513 43.233 -99.200 -91.000 TYR 68 0.840 -6.420 36.295 43.258 -99.200 -91.000 TYR 70 0.840 -6.897 45.319 49.011 -99.200 -91.000 TYR 72 0.840 1.292 36.034 54.115 -99.200 -91.000 HIS 73 0.900 -0.435 37.249 46.998 -99.200 -91.000 HIS 74 0.900 2.834 31.479 52.406 -99.200 -91.000 PHE 75 1.000 4.721 38.781 48.093 -99.200 -91.000 HIS 87 0.900 1.457 49.147 53.782 -99.200 -91.000 HIS 91 0.900 -2.285 51.740 51.769 -99.200 -91.000 PHE 96 1.000 0.398 45.724 39.837 -99.200 -91.000 PHE 99 1.000 6.958 47.387 39.370 -99.200 -91.000 TYR 100 0.840 3.498 42.295 34.867 -99.200 -91.000 TYR 107 0.840 12.508 37.084 31.655 -99.200 -91.000 HIS 111 0.900 18.235 36.253 24.813 -99.200 -91.000 PHE 112 1.000 24.315 44.582 24.468 -99.200 -91.000 PHE 115 1.000 20.805 48.892 22.717 -99.200 -91.000 PHE 122 1.000 17.507 57.814 21.365 -99.200 -91.000 TYR 124 0.840 19.006 49.057 27.907 -99.200 -91.000 TYR 126 0.840 8.842 52.188 27.924 -99.200 -91.000 HIS 143 0.900 -6.423 65.084 41.436 -99.200 -91.000 HIS 146 0.900 -1.963 63.078 27.555 -99.200 -91.000 TYR 149 0.840 0.715 57.366 34.154 -99.200 -91.000 PHE 172 1.000 35.837 47.796 25.484 -99.200 -91.000 TYR 178 0.840 24.461 49.424 27.652 -99.200 -91.000 PHE 179 1.000 28.250 56.260 23.426 -99.200 -91.000 TYR 187 0.840 28.758 61.720 15.564 -99.200 -91.000 TYR 195 0.840 39.017 50.075 28.789 -99.200 -91.000 HIS 202 0.900 36.721 61.202 14.058 -99.200 -91.000 TYR 203 0.840 34.147 58.577 23.777 -99.200 -91.000 TRP 207 1.040 30.114 61.307 26.761 -99.200 -91.000 TRP6 207 1.020 29.455 63.349 27.773 -99.200 -91.000 TYR 209 0.840 23.492 62.638 17.880 -99.200 -91.000 TYR 210 0.840 24.360 58.538 21.512 -99.200 -91.000 PHE 218 1.000 17.581 69.284 33.507 -99.200 -91.000 PHE 228 1.000 6.360 64.900 37.607 -99.200 -91.000 TYR 243 0.840 21.578 59.848 37.455 -99.200 -91.000 TYR 255 0.840 34.303 64.707 26.950 -99.200 -91.000 HIS 258 0.900 40.778 53.416 31.047 -99.200 -91.000 PHE 262 1.000 32.991 61.620 43.340 -99.200 -91.000 PHE 272 1.000 17.208 70.610 49.778 -99.200 -91.000 HIS 273 0.900 21.105 78.244 49.210 -99.200 -91.000 TYR 279 0.840 10.300 74.472 43.106 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zy1A1 MET 1 HA 0.05 -0.13 0.21 -0.75 4.52 3.90 2zy1A1 MET 1 HB2 0.03 0.00 0.06 -0.04 2.15 2.21 2zy1A1 MET 1 HB3 0.05 0.01 -0.10 -0.04 2.03 1.95 2zy1A1 MET 1 HG2 0.04 0.00 0.01 -0.04 2.63 2.65 2zy1A1 MET 1 HG3 0.04 0.02 -0.01 -0.04 2.56 2.57 2zy1A1 MET 1 HE3 0.06 0.01 -0.11 -0.04 2.10 2.02 2zy1A1 THR 2 H 0.05 0.04 0.09 -0.55 8.28 7.91 2zy1A1 THR 2 HA 0.04 0.22 0.56 -0.75 4.39 4.46 2zy1A1 THR 2 HB 0.04 -0.06 0.18 -0.04 4.32 4.44 2zy1A1 THR 2 HG23 0.04 0.06 0.06 -0.04 1.22 1.33 2zy1A1 MET 3 H 0.04 0.20 0.17 -0.55 8.47 8.34 2zy1A1 MET 3 HA 0.04 0.17 0.40 -0.75 4.52 4.37 2zy1A1 MET 3 HB2 0.04 -0.02 0.17 -0.04 2.15 2.31 2zy1A1 MET 3 HB3 0.04 0.03 -0.00 -0.04 2.03 2.05 2zy1A1 MET 3 HG2 0.03 0.03 0.04 -0.04 2.63 2.68 2zy1A1 MET 3 HG3 0.03 0.03 0.06 -0.04 2.56 2.64 2zy1A1 MET 3 HE3 0.03 -0.00 0.05 -0.04 2.10 2.13 2zy1A1 MET 4 H 0.05 0.12 -0.08 -0.55 8.47 8.02 2zy1A1 MET 4 HA 0.02 0.10 0.36 -0.75 4.52 4.24 2zy1A1 MET 4 HB2 0.03 0.04 0.08 -0.04 2.15 2.26 2zy1A1 MET 4 HB3 0.03 -0.01 0.01 -0.04 2.03 2.03 2zy1A1 MET 4 HG2 -0.34 0.08 -0.03 -0.04 2.63 2.30 2zy1A1 MET 4 HG3 0.16 -0.01 -0.11 -0.04 2.56 2.56 2zy1A1 MET 4 HE3 0.12 0.02 -0.03 -0.04 2.10 2.17 2zy1A1 ASP 5 H 0.09 0.03 -0.43 -0.55 8.40 7.54 2zy1A1 ASP 5 HA 0.24 0.07 0.39 -0.75 4.63 4.58 2zy1A1 ASP 5 HB2 0.09 0.16 0.03 -0.04 2.71 2.95 2zy1A1 ASP 5 HB3 0.12 0.06 -0.02 -0.04 2.70 2.82 2zy1A1 MET 6 H 0.08 0.47 -0.32 -0.55 8.47 8.15 2zy1A1 MET 6 HA 0.09 0.02 0.36 -0.75 4.52 4.23 2zy1A1 MET 6 HB2 0.04 0.18 0.17 -0.04 2.15 2.50 2zy1A1 MET 6 HB3 0.03 -0.06 -0.00 -0.04 2.03 1.96 2zy1A1 MET 6 HG2 0.04 -0.03 -0.02 -0.04 2.63 2.57 2zy1A1 MET 6 HG3 0.05 0.23 -0.07 -0.04 2.56 2.72 2zy1A1 MET 6 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.04 2zy1A1 ASN 7 H 0.06 0.43 -0.18 -0.55 8.53 8.29 2zy1A1 ASN 7 HA 0.06 -0.04 0.42 -0.75 4.76 4.44 2zy1A1 ASN 7 HB2 -0.15 0.12 0.16 -0.04 2.88 2.97 2zy1A1 ASN 7 HB3 -0.13 0.15 0.11 -0.04 2.79 2.87 2zy1A1 ASN 7 HD21 0.02 -0.03 -0.11 -0.04 7.03 6.87 2zy1A1 ASN 7 HD22 -0.03 -0.00 -0.05 -0.04 7.74 7.61 2zy1A1 PHE 8 H 0.21 0.55 -0.11 -0.55 8.34 8.43 2zy1A1 PHE 8 HA 0.23 0.02 0.44 -0.75 4.62 4.55 2zy1A1 PHE 8 HB2 0.19 0.09 0.15 -0.04 3.15 3.54 2zy1A1 PHE 8 HB3 0.48 -0.02 0.01 -0.04 3.06 3.49 2zy1A1 PHE 8 HD2 0.12 0.06 -0.01 -0.04 7.28 7.40 2zy1A1 PHE 8 HE2 -0.11 0.01 -0.11 -0.04 7.38 7.13 2zy1A1 PHE 8 HZ 0.16 0.06 -0.04 -0.04 7.32 7.46 2zy1A1 LYS 9 H 0.24 0.61 -0.16 -0.55 8.42 8.56 2zy1A1 LYS 9 HA 0.04 0.01 0.40 -0.75 4.32 4.02 2zy1A1 LYS 9 HB2 0.13 0.03 0.07 -0.04 1.87 2.06 2zy1A1 LYS 9 HB3 0.11 0.09 0.12 -0.04 1.79 2.06 2zy1A1 LYS 9 HG2 0.02 -0.01 -0.17 -0.04 1.46 1.26 2zy1A1 LYS 9 HG3 -0.01 -0.04 0.03 -0.04 1.46 1.40 2zy1A1 LYS 9 HD2 0.06 0.00 -0.03 -0.04 1.69 1.68 2zy1A1 LYS 9 HD3 0.04 0.00 -0.04 -0.04 1.68 1.64 2zy1A1 LYS 9 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.88 2zy1A1 LYS 9 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.91 2zy1A1 TYR 10 H 0.21 0.56 -0.23 -0.55 8.29 8.29 2zy1A1 TYR 10 HA -0.02 0.02 0.50 -0.75 4.56 4.31 2zy1A1 TYR 10 HB2 0.00 0.02 0.10 -0.04 3.06 3.13 2zy1A1 TYR 10 HB3 0.00 0.17 0.16 -0.04 2.98 3.27 2zy1A1 TYR 10 HD2 -0.01 0.02 -0.05 -0.04 7.15 7.07 2zy1A1 TYR 10 HE2 0.01 -0.05 -0.05 -0.04 6.85 6.72 2zy1A1 CYS 11 H 0.11 0.47 -0.19 -0.55 8.50 8.34 2zy1A1 CYS 11 HA -0.17 -0.03 0.35 -0.75 4.58 3.97 2zy1A1 CYS 11 HB2 0.29 0.12 0.05 -0.04 2.97 3.39 2zy1A1 CYS 11 HB3 0.20 0.10 -0.37 -0.04 2.97 2.87 2zy1A1 HIS 12 H -0.06 0.63 -0.23 -0.55 8.41 8.20 2zy1A1 HIS 12 HA -0.93 -0.03 0.40 -0.75 4.63 3.32 2zy1A1 HIS 12 HB2 -1.65 0.07 0.11 -0.04 3.26 1.75 2zy1A1 HIS 12 HB3 -0.64 0.17 0.16 -0.04 3.20 2.84 2zy1A1 HIS 12 HD2 -0.80 -0.10 0.04 -0.04 6.97 6.07 2zy1A1 HIS 12 HE1 -0.11 0.02 -0.04 -0.04 7.75 7.58 2zy1A1 LYS 13 H -0.19 0.63 -0.12 -0.55 8.42 8.18 2zy1A1 LYS 13 HA -0.25 -0.02 0.40 -0.75 4.32 3.69 2zy1A1 LYS 13 HB2 -0.10 0.01 0.11 -0.04 1.87 1.85 2zy1A1 LYS 13 HB3 -0.10 0.16 0.20 -0.04 1.79 2.01 2zy1A1 LYS 13 HG2 -0.06 -0.01 -0.27 -0.04 1.46 1.08 2zy1A1 LYS 13 HG3 -0.07 -0.03 -0.00 -0.04 1.46 1.31 2zy1A1 LYS 13 HD2 0.06 -0.01 -0.02 -0.04 1.69 1.68 2zy1A1 LYS 13 HD3 0.14 -0.00 -0.03 -0.04 1.68 1.75 2zy1A1 LYS 13 HE2 0.03 0.00 -0.06 -0.04 2.99 2.92 2zy1A1 LYS 13 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2zy1A1 ILE 14 H -0.22 0.52 -0.18 -0.55 8.25 7.83 2zy1A1 ILE 14 HA 0.03 0.03 0.42 -0.75 4.18 3.90 2zy1A1 ILE 14 HB -0.10 0.13 0.16 -0.04 1.89 2.04 2zy1A1 ILE 14 HG12 -0.16 -0.02 0.01 -0.04 1.49 1.28 2zy1A1 ILE 14 HG13 -0.51 0.09 0.05 -0.04 1.21 0.80 2zy1A1 ILE 14 HG23 0.09 -0.01 -0.12 -0.04 0.93 0.85 2zy1A1 ILE 14 HD13 -0.59 -0.03 -0.05 -0.04 0.88 0.17 2zy1A1 MET 15 H -0.04 0.51 -0.19 -0.55 8.47 8.20 2zy1A1 MET 15 HA -0.14 0.01 0.29 -0.75 4.52 3.93 2zy1A1 MET 15 HB2 0.04 0.02 0.07 -0.04 2.15 2.24 2zy1A1 MET 15 HB3 -0.08 0.10 0.15 -0.04 2.03 2.16 2zy1A1 MET 15 HG2 -0.14 -0.01 -0.31 -0.04 2.63 2.13 2zy1A1 MET 15 HG3 -0.92 -0.06 -0.02 -0.04 2.56 1.51 2zy1A1 MET 15 HE3 0.04 -0.03 -0.25 -0.04 2.10 1.82 2zy1A1 LYS 16 H -0.14 0.73 -0.05 -0.55 8.42 8.41 2zy1A1 LYS 16 HA -0.07 -0.01 0.30 -0.75 4.32 3.79 2zy1A1 LYS 16 HB2 -0.26 0.04 0.05 -0.04 1.87 1.66 2zy1A1 LYS 16 HB3 -0.21 0.06 0.02 -0.04 1.79 1.62 2zy1A1 LYS 16 HG2 -0.09 -0.01 -0.09 -0.04 1.46 1.22 2zy1A1 LYS 16 HG3 -0.07 -0.05 -0.01 -0.04 1.46 1.29 2zy1A1 LYS 16 HD2 -0.23 0.00 -0.06 -0.04 1.69 1.36 2zy1A1 LYS 16 HD3 -0.20 0.01 -0.07 -0.04 1.68 1.38 2zy1A1 LYS 16 HE2 -0.04 -0.01 -0.05 -0.04 2.99 2.85 2zy1A1 LYS 16 HE3 -0.08 -0.01 -0.05 -0.04 2.99 2.81 2zy1A1 LYS 17 H -0.08 0.49 -0.32 -0.55 8.42 7.95 2zy1A1 LYS 17 HA -0.14 -0.02 0.33 -0.75 4.32 3.74 2zy1A1 LYS 17 HB2 -0.09 0.27 0.16 -0.04 1.87 2.17 2zy1A1 LYS 17 HB3 -0.14 0.05 0.10 -0.04 1.79 1.75 2zy1A1 LYS 17 HG2 -0.13 -0.04 -0.02 -0.04 1.46 1.22 2zy1A1 LYS 17 HG3 -0.29 -0.01 -0.03 -0.04 1.46 1.09 2zy1A1 LYS 17 HD2 -0.10 -0.04 -0.01 -0.04 1.69 1.51 2zy1A1 LYS 17 HD3 -0.12 -0.01 0.01 -0.04 1.68 1.52 2zy1A1 LYS 17 HE2 -0.08 0.16 -0.01 -0.04 2.99 3.02 2zy1A1 LYS 17 HE3 -0.05 -0.04 -0.04 -0.04 2.99 2.82 2zy1A1 HIS 18 H 0.10 0.44 -0.19 -0.55 8.41 8.21 2zy1A1 HIS 18 HA 0.04 0.18 0.77 -0.75 4.63 4.86 2zy1A1 HIS 18 HB2 0.25 0.07 0.09 -0.04 3.26 3.63 2zy1A1 HIS 18 HB3 0.19 -0.06 0.02 -0.04 3.20 3.31 2zy1A1 HIS 18 HD2 0.06 -0.01 -0.01 -0.04 6.97 6.96 2zy1A1 HIS 18 HE1 0.01 -0.04 -0.04 -0.04 7.75 7.64 2zy1A1 SER 19 H -0.01 0.68 -0.11 -0.55 8.46 8.48 2zy1A1 SER 19 HA 0.03 0.21 1.01 -0.75 4.49 4.99 2zy1A1 SER 19 HB2 0.20 0.11 -0.06 -0.04 3.95 4.17 2zy1A1 SER 19 HB3 -0.05 0.04 0.19 -0.04 3.93 4.07 2zy1A1 LYS 20 H -0.02 0.28 -0.00 -0.55 8.42 8.12 2zy1A1 LYS 20 HA 0.00 0.14 0.42 -0.75 4.32 4.12 2zy1A1 LYS 20 HB2 -0.02 -0.03 0.07 -0.04 1.87 1.84 2zy1A1 LYS 20 HB3 0.00 -0.03 0.06 -0.04 1.79 1.78 2zy1A1 LYS 20 HG2 -0.05 0.10 0.03 -0.04 1.46 1.50 2zy1A1 LYS 20 HG3 -0.05 -0.03 0.03 -0.04 1.46 1.37 2zy1A1 LYS 20 HD2 -0.02 -0.10 0.02 -0.04 1.69 1.55 2zy1A1 LYS 20 HD3 -0.04 0.10 0.04 -0.04 1.68 1.74 2zy1A1 LYS 20 HE2 -0.07 -0.08 0.00 -0.04 2.99 2.80 2zy1A1 LYS 20 HE3 -0.07 -0.06 -0.04 -0.04 2.99 2.78 2zy1A1 SER 21 H -0.08 0.09 -0.27 -0.55 8.46 7.66 2zy1A1 SER 21 HA -0.04 0.10 0.32 -0.75 4.49 4.11 2zy1A1 SER 21 HB2 -0.37 -0.02 0.05 -0.04 3.95 3.56 2zy1A1 SER 21 HB3 -0.08 0.05 -0.07 -0.04 3.93 3.79 2zy1A1 PHE 22 H -0.22 0.12 -0.12 -0.55 8.34 7.57 2zy1A1 PHE 22 HA 0.01 0.06 0.48 -0.75 4.62 4.42 2zy1A1 PHE 22 HB2 -0.01 0.10 0.06 -0.04 3.15 3.25 2zy1A1 PHE 22 HB3 0.32 0.00 0.01 -0.04 3.06 3.35 2zy1A1 PHE 22 HD2 0.04 0.02 -0.04 -0.04 7.28 7.26 2zy1A1 PHE 22 HE2 -0.20 0.05 -0.08 -0.04 7.38 7.11 2zy1A1 PHE 22 HZ -1.02 0.00 -0.05 -0.04 7.32 6.22 2zy1A1 SER 23 H 0.11 0.60 -0.19 -0.55 8.46 8.44 2zy1A1 SER 23 HA 0.23 0.01 0.37 -0.75 4.49 4.34 2zy1A1 SER 23 HB2 0.11 -0.03 -0.06 -0.04 3.95 3.93 2zy1A1 SER 23 HB3 0.04 -0.00 -0.17 -0.04 3.93 3.75 2zy1A1 TYR 24 H 0.17 0.48 -0.27 -0.55 8.29 8.11 2zy1A1 TYR 24 HA -0.02 -0.01 0.26 -0.75 4.56 4.03 2zy1A1 TYR 24 HB2 -0.03 0.16 0.18 -0.04 3.06 3.33 2zy1A1 TYR 24 HB3 -0.06 0.09 0.14 -0.04 2.98 3.11 2zy1A1 TYR 24 HD2 -0.09 0.02 -0.15 -0.04 7.15 6.88 2zy1A1 TYR 24 HE2 -0.08 -0.01 -0.10 -0.04 6.85 6.63 2zy1A1 ALA 25 H 0.07 0.34 -0.26 -0.55 8.40 8.00 2zy1A1 ALA 25 HA -0.20 0.09 0.53 -0.75 4.34 4.01 2zy1A1 ALA 25 HB3 -0.27 0.01 0.05 -0.04 1.41 1.17 2zy1A1 PHE 26 H -0.04 0.72 0.09 -0.55 8.34 8.56 2zy1A1 PHE 26 HA -0.06 0.02 0.38 -0.75 4.62 4.21 2zy1A1 PHE 26 HB2 0.07 0.11 0.06 -0.04 3.15 3.34 2zy1A1 PHE 26 HB3 -0.03 -0.06 0.04 -0.04 3.06 2.96 2zy1A1 PHE 26 HD2 -0.03 0.03 -0.02 -0.04 7.28 7.22 2zy1A1 PHE 26 HE2 -0.26 -0.03 -0.06 -0.04 7.38 7.00 2zy1A1 PHE 26 HZ -0.22 -0.02 -0.05 -0.04 7.32 6.99 2zy1A1 ASP 27 H 0.12 0.65 -0.32 -0.55 8.40 8.30 2zy1A1 ASP 27 HA 0.20 -0.02 0.39 -0.75 4.63 4.44 2zy1A1 ASP 27 HB2 0.04 0.20 0.01 -0.04 2.71 2.91 2zy1A1 ASP 27 HB3 0.13 -0.07 0.04 -0.04 2.70 2.76 2zy1A1 LEU 28 H -0.08 0.43 -0.56 -0.55 8.37 7.62 2zy1A1 LEU 28 HA -0.07 0.05 0.53 -0.75 4.35 4.10 2zy1A1 LEU 28 HB2 -0.16 0.11 0.07 -0.04 1.64 1.62 2zy1A1 LEU 28 HB3 -0.10 -0.09 0.10 -0.04 1.64 1.52 2zy1A1 LEU 28 HG -0.34 0.17 0.07 -0.04 1.64 1.49 2zy1A1 LEU 28 HD13 -0.78 -0.03 0.04 -0.04 0.93 0.11 2zy1A1 LEU 28 HD23 -0.21 -0.02 -0.03 -0.04 0.89 0.59 2zy1A1 LEU 29 H -0.04 0.45 -0.27 -0.55 8.37 7.97 2zy1A1 LEU 29 HA -0.06 0.07 0.44 -0.75 4.35 4.05 2zy1A1 LEU 29 HB2 -0.10 0.08 0.04 -0.04 1.64 1.62 2zy1A1 LEU 29 HB3 -0.11 -0.08 0.02 -0.04 1.64 1.44 2zy1A1 LEU 29 HG 0.06 0.02 0.02 -0.04 1.64 1.70 2zy1A1 LEU 29 HD13 0.03 -0.02 -0.11 -0.04 0.93 0.79 2zy1A1 LEU 29 HD23 -0.03 -0.00 -0.07 -0.04 0.89 0.75 2zy1A1 PRO 30 HA -0.08 0.11 0.46 -0.51 4.44 4.42 2zy1A1 PRO 30 HB2 -0.10 -0.12 0.05 -0.04 2.28 2.07 2zy1A1 PRO 30 HB3 -0.07 0.04 0.13 -0.04 2.02 2.08 2zy1A1 PRO 30 HG2 -0.06 0.01 0.09 -0.04 2.03 2.03 2zy1A1 PRO 30 HG3 -0.05 0.12 0.10 -0.04 2.03 2.16 2zy1A1 PRO 30 HD2 -0.08 0.04 0.17 -0.04 3.68 3.78 2zy1A1 PRO 30 HD3 -0.06 0.25 0.18 -0.04 3.65 3.98 2zy1A1 GLU 31 H -0.11 0.16 0.17 -0.55 8.60 8.28 2zy1A1 GLU 31 HA -0.24 0.15 0.29 -0.75 4.29 3.73 2zy1A1 GLU 31 HB2 -0.10 0.07 0.16 -0.04 2.09 2.18 2zy1A1 GLU 31 HB3 -0.13 -0.05 0.12 -0.04 1.99 1.89 2zy1A1 GLU 31 HG2 -0.10 0.01 -0.01 -0.04 2.34 2.20 2zy1A1 GLU 31 HG3 -0.21 -0.02 -0.20 -0.04 2.34 1.87 2zy1A1 ASP 32 H -0.17 0.10 -0.13 -0.55 8.40 7.65 2zy1A1 ASP 32 HA -0.28 0.07 0.39 -0.75 4.63 4.05 2zy1A1 ASP 32 HB2 -0.14 -0.00 0.05 -0.04 2.71 2.57 2zy1A1 ASP 32 HB3 -0.16 0.08 0.01 -0.04 2.70 2.58 2zy1A1 GLN 33 H -0.20 0.19 -0.26 -0.55 8.47 7.65 2zy1A1 GLN 33 HA -0.19 0.11 0.53 -0.75 4.36 4.06 2zy1A1 GLN 33 HB2 -0.15 0.06 0.07 -0.04 2.15 2.09 2zy1A1 GLN 33 HB3 -0.14 0.02 -0.02 -0.04 2.02 1.83 2zy1A1 GLN 33 HG2 -0.11 0.19 0.07 -0.04 2.40 2.50 2zy1A1 GLN 33 HG3 -0.12 -0.14 -0.01 -0.04 2.39 2.07 2zy1A1 GLN 33 HE21 -0.06 -0.06 0.03 -0.04 6.97 6.83 2zy1A1 GLN 33 HE22 -0.08 -0.03 0.01 -0.04 7.69 7.55 2zy1A1 ARG 34 H -0.34 0.66 -0.15 -0.55 8.46 8.07 2zy1A1 ARG 34 HA -0.42 0.04 0.39 -0.75 4.34 3.59 2zy1A1 ARG 34 HB2 -0.55 -0.07 -0.04 -0.04 1.90 1.19 2zy1A1 ARG 34 HB3 -0.28 0.12 -0.02 -0.04 1.80 1.58 2zy1A1 ARG 34 HG2 -0.51 0.03 -0.06 -0.04 1.67 1.09 2zy1A1 ARG 34 HG3 -1.35 -0.09 -0.19 -0.04 1.67 -0.00 2zy1A1 ARG 34 HD2 -0.02 -0.04 0.01 -0.04 3.22 3.12 2zy1A1 ARG 34 HD3 -0.14 0.34 -0.13 -0.04 3.22 3.25 2zy1A1 LYS 35 H -0.76 0.51 -0.29 -0.55 8.42 7.33 2zy1A1 LYS 35 HA -1.20 -0.00 0.38 -0.75 4.32 2.74 2zy1A1 LYS 35 HB2 -0.67 0.14 0.11 -0.04 1.87 1.41 2zy1A1 LYS 35 HB3 -1.33 -0.06 -0.03 -0.04 1.79 0.32 2zy1A1 LYS 35 HG2 -0.53 -0.07 0.00 -0.04 1.46 0.81 2zy1A1 LYS 35 HG3 -0.93 0.07 0.03 -0.04 1.46 0.59 2zy1A1 LYS 35 HD2 -0.28 -0.04 -0.05 -0.04 1.69 1.28 2zy1A1 LYS 35 HD3 -0.45 0.03 -0.10 -0.04 1.68 1.11 2zy1A1 LYS 35 HE2 -1.16 0.03 -0.05 -0.04 2.99 1.76 2zy1A1 LYS 35 HE3 -0.42 -0.05 -0.03 -0.04 2.99 2.44 2zy1A1 ALA 36 H -0.33 0.40 -0.24 -0.55 8.40 7.68 2zy1A1 ALA 36 HA 0.10 -0.00 0.42 -0.75 4.34 4.10 2zy1A1 ALA 36 HB3 -0.09 0.05 0.10 -0.04 1.41 1.42 2zy1A1 VAL 37 H -0.28 0.54 -0.21 -0.55 8.24 7.74 2zy1A1 VAL 37 HA -0.15 -0.01 0.48 -0.75 4.13 3.70 2zy1A1 VAL 37 HB -0.28 0.14 0.11 -0.04 2.12 2.05 2zy1A1 VAL 37 HG13 -0.44 -0.03 -0.14 -0.04 0.97 0.32 2zy1A1 VAL 37 HG23 -0.37 0.04 -0.01 -0.04 0.95 0.57 2zy1A1 TRP 38 H -0.18 0.67 -0.13 -0.55 7.97 7.78 2zy1A1 TRP 38 HA 0.05 -0.01 0.29 -0.75 4.62 4.19 2zy1A1 TRP 38 HB2 0.15 0.13 0.06 -0.04 3.23 3.54 2zy1A1 TRP 38 HB3 0.10 -0.12 -0.28 -0.04 3.23 2.89 2zy1A1 TRP 38 HD1 -0.05 -0.09 -0.10 -0.04 7.22 6.94 2zy1A1 TRP 38 HE1 -0.28 -0.00 -0.11 -0.04 10.20 9.76 2zy1A1 TRP 38 HE3 0.15 0.01 -0.01 -0.04 7.59 7.70 2zy1A1 TRP 38 HZ2 -0.55 0.06 -0.06 -0.04 7.44 6.84 2zy1A1 TRP 38 HZ3 0.00 -0.06 -0.13 -0.04 7.13 6.90 2zy1A1 TRP 38 HH2 -0.14 -0.01 -0.06 -0.04 7.19 6.94 2zy1A1 ALA 39 H 0.31 0.53 -0.26 -0.55 8.40 8.44 2zy1A1 ALA 39 HA 0.14 -0.03 0.40 -0.75 4.34 4.10 2zy1A1 ALA 39 HB3 0.18 0.02 -0.03 -0.04 1.41 1.54 2zy1A1 ILE 40 H 0.09 0.61 -0.09 -0.55 8.25 8.31 2zy1A1 ILE 40 HA 0.15 -0.03 0.43 -0.75 4.18 3.98 2zy1A1 ILE 40 HB -0.03 0.09 0.13 -0.04 1.89 2.05 2zy1A1 ILE 40 HG12 0.07 -0.08 -0.01 -0.04 1.49 1.43 2zy1A1 ILE 40 HG13 0.04 0.10 0.08 -0.04 1.21 1.39 2zy1A1 ILE 40 HG23 -0.09 -0.02 -0.12 -0.04 0.93 0.65 2zy1A1 ILE 40 HD13 -0.10 -0.01 -0.15 -0.04 0.88 0.59 2zy1A1 TYR 41 H 0.17 0.73 -0.16 -0.55 8.29 8.49 2zy1A1 TYR 41 HA -0.02 0.00 0.34 -0.75 4.56 4.13 2zy1A1 TYR 41 HB2 -0.01 0.02 0.05 -0.04 3.06 3.08 2zy1A1 TYR 41 HB3 0.08 0.09 0.10 -0.04 2.98 3.22 2zy1A1 TYR 41 HD2 0.01 0.02 -0.23 -0.04 7.15 6.92 2zy1A1 TYR 41 HE2 0.14 0.03 -0.09 -0.04 6.85 6.89 2zy1A1 ALA 42 H 0.18 0.64 -0.17 -0.55 8.40 8.50 2zy1A1 ALA 42 HA 0.07 0.01 0.30 -0.75 4.34 3.96 2zy1A1 ALA 42 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 2zy1A1 VAL 43 H -0.01 0.59 -0.14 -0.55 8.24 8.13 2zy1A1 VAL 43 HA -0.10 -0.05 0.43 -0.75 4.13 3.67 2zy1A1 VAL 43 HB -0.02 0.15 0.13 -0.04 2.12 2.34 2zy1A1 VAL 43 HG13 -0.49 -0.03 -0.14 -0.04 0.97 0.28 2zy1A1 VAL 43 HG23 -0.17 0.02 -0.01 -0.04 0.95 0.75 2zy1A1 CYS 44 H -0.06 0.63 -0.13 -0.55 8.50 8.39 2zy1A1 CYS 44 HA -0.05 -0.01 0.44 -0.75 4.58 4.20 2zy1A1 CYS 44 HB2 -0.28 0.11 0.14 -0.04 2.97 2.90 2zy1A1 CYS 44 HB3 -0.17 -0.01 0.04 -0.04 2.97 2.79 2zy1A1 ARG 45 H -0.29 0.65 -0.18 -0.55 8.46 8.09 2zy1A1 ARG 45 HA -0.25 0.03 0.40 -0.75 4.34 3.76 2zy1A1 ARG 45 HB2 -0.40 0.06 0.04 -0.04 1.90 1.56 2zy1A1 ARG 45 HB3 -0.14 0.08 0.11 -0.04 1.80 1.82 2zy1A1 ARG 45 HG2 -0.23 -0.01 -0.07 -0.04 1.67 1.33 2zy1A1 ARG 45 HG3 -0.31 -0.03 -0.14 -0.04 1.67 1.15 2zy1A1 ARG 45 HD2 -0.08 -0.01 -0.03 -0.04 3.22 3.07 2zy1A1 ARG 45 HD3 -0.45 0.01 -0.03 -0.04 3.22 2.71 2zy1A1 LYS 46 H -0.08 0.50 -0.17 -0.55 8.42 8.12 2zy1A1 LYS 46 HA 0.01 0.04 0.33 -0.75 4.32 3.95 2zy1A1 LYS 46 HB2 0.01 0.09 0.13 -0.04 1.87 2.06 2zy1A1 LYS 46 HB3 0.28 -0.08 -0.05 -0.04 1.79 1.91 2zy1A1 LYS 46 HG2 -0.00 0.09 0.06 -0.04 1.46 1.57 2zy1A1 LYS 46 HG3 0.06 -0.11 0.00 -0.04 1.46 1.38 2zy1A1 LYS 46 HD2 0.27 -0.06 -0.03 -0.04 1.69 1.82 2zy1A1 LYS 46 HD3 0.05 0.05 -0.03 -0.04 1.68 1.71 2zy1A1 LYS 46 HE2 0.05 -0.01 -0.03 -0.04 2.99 2.96 2zy1A1 LYS 46 HE3 0.17 -0.07 -0.03 -0.04 2.99 3.02 2zy1A1 ILE 47 H -0.06 0.50 -0.19 -0.55 8.25 7.95 2zy1A1 ILE 47 HA -0.03 -0.03 0.49 -0.75 4.18 3.85 2zy1A1 ILE 47 HB -0.06 0.16 0.18 -0.04 1.89 2.12 2zy1A1 ILE 47 HG12 -0.11 -0.08 0.01 -0.04 1.49 1.28 2zy1A1 ILE 47 HG13 -0.11 0.04 0.05 -0.04 1.21 1.14 2zy1A1 ILE 47 HG23 -0.07 -0.02 -0.20 -0.04 0.93 0.61 2zy1A1 ILE 47 HD13 -0.07 -0.02 -0.08 -0.04 0.88 0.66 2zy1A1 ASP 48 H -0.08 0.67 -0.10 -0.55 8.40 8.34 2zy1A1 ASP 48 HA -0.03 -0.02 0.23 -0.75 4.63 4.04 2zy1A1 ASP 48 HB2 -0.09 0.11 0.14 -0.04 2.71 2.83 2zy1A1 ASP 48 HB3 -0.04 -0.06 0.00 -0.04 2.70 2.57 2zy1A1 ASP 49 H -0.04 0.36 -0.42 -0.55 8.40 7.75 2zy1A1 ASP 49 HA -0.01 0.18 0.75 -0.75 4.63 4.79 2zy1A1 ASP 49 HB2 -0.06 0.04 0.01 -0.04 2.71 2.65 2zy1A1 ASP 49 HB3 -0.04 -0.05 0.07 -0.04 2.70 2.63 2zy1A1 SER 50 H 0.03 0.35 -0.31 -0.55 8.46 7.99 2zy1A1 SER 50 HA 0.04 -0.01 0.28 -0.75 4.49 4.04 2zy1A1 SER 50 HB2 0.21 -0.25 -0.08 -0.04 3.95 3.79 2zy1A1 SER 50 HB3 0.21 0.14 0.13 -0.04 3.93 4.36 2zy1A1 ILE 51 H 0.02 0.18 -0.26 -0.55 8.25 7.64 2zy1A1 ILE 51 HA 0.04 0.02 0.42 -0.75 4.18 3.91 2zy1A1 ILE 51 HB 0.02 0.09 0.05 -0.04 1.89 2.01 2zy1A1 ILE 51 HG12 0.02 0.01 -0.01 -0.04 1.49 1.46 2zy1A1 ILE 51 HG13 0.04 0.11 -0.01 -0.04 1.21 1.31 2zy1A1 ILE 51 HG23 0.03 0.01 0.06 -0.04 0.93 0.98 2zy1A1 ILE 51 HD13 0.06 -0.03 -0.01 -0.04 0.88 0.86 2zy1A1 ILE 57 HA 0.11 0.00 0.21 -0.75 4.18 3.75 2zy1A1 ILE 57 HB 0.31 -0.07 0.10 -0.04 1.89 2.18 2zy1A1 ILE 57 HG12 0.09 0.03 0.01 -0.04 1.49 1.59 2zy1A1 ILE 57 HG13 0.11 -0.04 -0.26 -0.04 1.21 0.99 2zy1A1 ILE 57 HG23 0.18 0.03 0.06 -0.04 0.93 1.16 2zy1A1 ILE 57 HD13 0.08 0.01 -0.03 -0.04 0.88 0.90 2zy1A1 GLN 58 H 0.09 0.30 0.12 -0.55 8.47 8.44 2zy1A1 GLN 58 HA 0.08 0.05 0.38 -0.75 4.36 4.12 2zy1A1 GLN 58 HB2 0.07 0.07 0.15 -0.04 2.15 2.40 2zy1A1 GLN 58 HB3 0.10 0.00 0.12 -0.04 2.02 2.20 2zy1A1 GLN 58 HG2 0.08 -0.05 -0.14 -0.04 2.40 2.25 2zy1A1 GLN 58 HG3 0.06 -0.00 0.04 -0.04 2.39 2.44 2zy1A1 GLN 58 HE21 0.04 0.01 0.00 -0.04 6.97 6.99 2zy1A1 GLN 58 HE22 0.04 -0.01 0.01 -0.04 7.69 7.69 2zy1A1 PHE 59 H 0.22 0.24 -0.13 -0.55 8.34 8.11 2zy1A1 PHE 59 HA 0.01 0.06 0.42 -0.75 4.62 4.36 2zy1A1 PHE 59 HB2 0.01 0.06 0.07 -0.04 3.15 3.24 2zy1A1 PHE 59 HB3 -0.01 0.10 -0.01 -0.04 3.06 3.11 2zy1A1 PHE 59 HD2 -0.01 0.07 -0.07 -0.04 7.28 7.22 2zy1A1 PHE 59 HE2 -0.02 0.11 -0.16 -0.04 7.38 7.27 2zy1A1 PHE 59 HZ -0.01 -0.07 -0.14 -0.04 7.32 7.05 2zy1A1 LEU 60 H 0.12 0.17 -0.38 -0.55 8.37 7.73 2zy1A1 LEU 60 HA -0.12 0.03 0.44 -0.75 4.35 3.94 2zy1A1 LEU 60 HB2 -0.03 0.03 0.01 -0.04 1.64 1.61 2zy1A1 LEU 60 HB3 -0.02 0.14 0.03 -0.04 1.64 1.75 2zy1A1 LEU 60 HG -0.54 -0.05 -0.17 -0.04 1.64 0.83 2zy1A1 LEU 60 HD13 -0.19 -0.00 0.08 -0.04 0.93 0.78 2zy1A1 LEU 60 HD23 -0.54 0.04 -0.05 -0.04 0.89 0.30 2zy1A1 ASN 61 H 0.06 0.59 -0.18 -0.55 8.53 8.46 2zy1A1 ASN 61 HA 0.11 0.02 0.41 -0.75 4.76 4.55 2zy1A1 ASN 61 HB2 0.06 0.14 0.10 -0.04 2.88 3.14 2zy1A1 ASN 61 HB3 0.06 -0.06 -0.01 -0.04 2.79 2.74 2zy1A1 ASN 61 HD21 0.10 -0.01 -0.07 -0.04 7.03 7.01 2zy1A1 ASN 61 HD22 0.07 -0.03 -0.05 -0.04 7.74 7.69 2zy1A1 GLN 62 H -0.06 0.50 -0.24 -0.55 8.47 8.12 2zy1A1 GLN 62 HA -0.04 0.02 0.41 -0.75 4.36 3.99 2zy1A1 GLN 62 HB2 -0.26 0.16 0.12 -0.04 2.15 2.13 2zy1A1 GLN 62 HB3 -0.11 -0.19 -0.22 -0.04 2.02 1.46 2zy1A1 GLN 62 HG2 0.01 -0.07 -0.01 -0.04 2.40 2.28 2zy1A1 GLN 62 HG3 0.01 0.34 0.08 -0.04 2.39 2.78 2zy1A1 GLN 62 HE21 0.09 0.02 -0.01 -0.04 6.97 7.02 2zy1A1 GLN 62 HE22 0.05 -0.05 -0.03 -0.04 7.69 7.62 2zy1A1 ILE 63 H -0.33 0.66 -0.10 -0.55 8.25 7.94 2zy1A1 ILE 63 HA -0.28 -0.12 0.35 -0.75 4.18 3.38 2zy1A1 ILE 63 HB -0.25 0.19 0.15 -0.04 1.89 1.94 2zy1A1 ILE 63 HG12 -0.46 -0.15 0.01 -0.04 1.49 0.85 2zy1A1 ILE 63 HG13 -0.96 0.13 0.04 -0.04 1.21 0.38 2zy1A1 ILE 63 HG23 -0.21 -0.02 -0.14 -0.04 0.93 0.52 2zy1A1 ILE 63 HD13 -0.14 0.01 -0.18 -0.04 0.88 0.53 2zy1A1 LYS 64 H -0.10 0.60 -0.16 -0.55 8.42 8.21 2zy1A1 LYS 64 HA 0.03 -0.01 0.44 -0.75 4.32 4.02 2zy1A1 LYS 64 HB2 0.01 0.03 0.10 -0.04 1.87 1.97 2zy1A1 LYS 64 HB3 0.01 0.14 0.14 -0.04 1.79 2.05 2zy1A1 LYS 64 HG2 -0.06 -0.03 -0.21 -0.04 1.46 1.12 2zy1A1 LYS 64 HG3 0.02 -0.06 0.02 -0.04 1.46 1.40 2zy1A1 LYS 64 HD2 0.15 0.02 -0.02 -0.04 1.69 1.80 2zy1A1 LYS 64 HD3 0.03 0.02 -0.04 -0.04 1.68 1.65 2zy1A1 LYS 64 HE2 -0.27 -0.03 -0.04 -0.04 2.99 2.62 2zy1A1 LYS 64 HE3 -0.07 -0.03 -0.01 -0.04 2.99 2.85 2zy1A1 GLU 65 H -0.04 0.57 -0.18 -0.55 8.60 8.41 2zy1A1 GLU 65 HA -0.03 0.03 0.43 -0.75 4.29 3.96 2zy1A1 GLU 65 HB2 -0.01 0.08 0.16 -0.04 2.09 2.27 2zy1A1 GLU 65 HB3 -0.01 -0.04 0.01 -0.04 1.99 1.90 2zy1A1 GLU 65 HG2 -0.02 -0.04 0.01 -0.04 2.34 2.25 2zy1A1 GLU 65 HG3 -0.01 0.14 0.05 -0.04 2.34 2.48 2zy1A1 ASP 66 H -0.04 0.61 -0.11 -0.55 8.40 8.31 2zy1A1 ASP 66 HA 0.12 0.02 0.43 -0.75 4.63 4.44 2zy1A1 ASP 66 HB2 -0.12 0.18 0.19 -0.04 2.71 2.92 2zy1A1 ASP 66 HB3 -0.15 -0.03 -0.02 -0.04 2.70 2.46 2zy1A1 ILE 67 H -0.05 0.61 -0.09 -0.55 8.25 8.17 2zy1A1 ILE 67 HA -0.02 0.02 0.46 -0.75 4.18 3.88 2zy1A1 ILE 67 HB 0.13 0.11 0.12 -0.04 1.89 2.21 2zy1A1 ILE 67 HG12 -0.32 -0.05 -0.00 -0.04 1.49 1.07 2zy1A1 ILE 67 HG13 -0.20 0.16 0.08 -0.04 1.21 1.20 2zy1A1 ILE 67 HG23 0.15 -0.02 -0.08 -0.04 0.93 0.94 2zy1A1 ILE 67 HD13 -0.55 -0.02 -0.08 -0.04 0.88 0.19 2zy1A1 GLN 68 H 0.03 0.59 -0.18 -0.55 8.47 8.37 2zy1A1 GLN 68 HA 0.03 -0.03 0.37 -0.75 4.36 3.98 2zy1A1 GLN 68 HB2 -0.04 0.13 0.19 -0.04 2.15 2.39 2zy1A1 GLN 68 HB3 -0.07 -0.04 -0.01 -0.04 2.02 1.85 2zy1A1 GLN 68 HG2 -0.23 -0.07 0.01 -0.04 2.40 2.08 2zy1A1 GLN 68 HG3 -0.14 0.07 0.04 -0.04 2.39 2.32 2zy1A1 GLN 68 HE21 -0.17 -0.01 -0.04 -0.04 6.97 6.71 2zy1A1 GLN 68 HE22 -0.40 -0.03 -0.03 -0.04 7.69 7.19 2zy1A1 SER 69 H -0.06 0.48 -0.29 -0.55 8.46 8.04 2zy1A1 SER 69 HA -0.09 -0.00 0.43 -0.75 4.49 4.07 2zy1A1 SER 69 HB2 -0.23 0.14 0.13 -0.04 3.95 3.94 2zy1A1 SER 69 HB3 -0.97 -0.02 -0.05 -0.04 3.93 2.84 2zy1A1 ILE 70 H -0.08 0.36 -0.25 -0.55 8.25 7.73 2zy1A1 ILE 70 HA 0.05 0.14 0.27 -0.75 4.18 3.89 2zy1A1 ILE 70 HB 0.09 0.05 0.13 -0.04 1.89 2.12 2zy1A1 ILE 70 HG12 0.27 0.03 0.01 -0.04 1.49 1.76 2zy1A1 ILE 70 HG13 0.19 0.07 0.02 -0.04 1.21 1.45 2zy1A1 ILE 70 HG23 0.20 -0.00 -0.16 -0.04 0.93 0.93 2zy1A1 ILE 70 HD13 -0.14 -0.05 -0.06 -0.04 0.88 0.59 2zy1A1 GLU 71 H -0.34 0.51 -0.14 -0.55 8.60 8.09 2zy1A1 GLU 71 HA -1.04 0.02 0.40 -0.75 4.29 2.92 2zy1A1 GLU 71 HB2 -1.51 -0.07 0.09 -0.04 2.09 0.55 2zy1A1 GLU 71 HB3 -0.40 0.11 0.14 -0.04 1.99 1.80 2zy1A1 GLU 71 HG2 -0.32 0.06 -0.31 -0.04 2.34 1.73 2zy1A1 GLU 71 HG3 -0.69 -0.03 0.04 -0.04 2.34 1.62 2zy1A1 LYS 72 H -0.24 0.47 -0.20 -0.55 8.42 7.90 2zy1A1 LYS 72 HA -0.30 0.02 0.48 -0.75 4.32 3.76 2zy1A1 LYS 72 HB2 -0.23 -0.01 0.10 -0.04 1.87 1.69 2zy1A1 LYS 72 HB3 -0.26 0.04 0.11 -0.04 1.79 1.63 2zy1A1 LYS 72 HG2 -1.36 0.00 -0.11 -0.04 1.46 -0.05 2zy1A1 LYS 72 HG3 -0.39 -0.04 0.04 -0.04 1.46 1.03 2zy1A1 LYS 72 HD2 -0.11 -0.02 -0.02 -0.04 1.69 1.50 2zy1A1 LYS 72 HD3 -0.00 0.00 -0.04 -0.04 1.68 1.60 2zy1A1 LYS 72 HE2 0.07 -0.03 -0.02 -0.04 2.99 2.96 2zy1A1 LYS 72 HE3 0.10 -0.00 -0.03 -0.04 2.99 3.02 2zy1A1 TYR 73 H -0.01 0.57 -0.23 -0.55 8.29 8.08 2zy1A1 TYR 73 HA 0.07 0.12 0.80 -0.75 4.56 4.80 2zy1A1 TYR 73 HB2 0.27 0.09 0.14 -0.04 3.06 3.51 2zy1A1 TYR 73 HB3 0.11 -0.13 0.09 -0.04 2.98 3.01 2zy1A1 TYR 73 HD2 0.07 0.00 -0.01 -0.04 7.15 7.17 2zy1A1 TYR 73 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.77 2zy1A1 PRO 74 HA 0.04 0.06 0.54 -0.51 4.44 4.57 2zy1A1 PRO 74 HB2 -0.43 -0.01 -0.03 -0.04 2.28 1.76 2zy1A1 PRO 74 HB3 -0.05 0.10 0.10 -0.04 2.02 2.12 2zy1A1 PRO 74 HG2 0.05 -0.09 0.04 -0.04 2.03 1.99 2zy1A1 PRO 74 HG3 0.02 0.04 0.04 -0.04 2.03 2.09 2zy1A1 PRO 74 HD2 0.07 0.09 -0.01 -0.04 3.68 3.79 2zy1A1 PRO 74 HD3 -0.04 0.35 -0.29 -0.04 3.65 3.62 2zy1A1 TYR 75 H 0.17 0.06 -0.32 -0.55 8.29 7.65 2zy1A1 TYR 75 HA 0.06 0.25 0.89 -0.75 4.56 4.99 2zy1A1 TYR 75 HB2 0.05 -0.02 0.02 -0.04 3.06 3.07 2zy1A1 TYR 75 HB3 0.03 -0.04 0.16 -0.04 2.98 3.09 2zy1A1 TYR 75 HD2 0.03 -0.02 -0.00 -0.04 7.15 7.12 2zy1A1 TYR 75 HE2 -0.03 0.01 0.01 -0.04 6.85 6.79 2zy1A1 GLU 76 H 0.07 0.44 -0.24 -0.55 8.60 8.32 2zy1A1 GLU 76 HA -0.02 0.13 0.88 -0.75 4.29 4.53 2zy1A1 GLU 76 HB2 -0.18 0.11 -0.01 -0.04 2.09 1.96 2zy1A1 GLU 76 HB3 -0.21 0.01 0.02 -0.04 1.99 1.77 2zy1A1 GLU 76 HG2 0.09 -0.09 -0.16 -0.04 2.34 2.14 2zy1A1 GLU 76 HG3 -0.21 0.00 -0.02 -0.04 2.34 2.07 2zy1A1 TYR 77 H -0.03 0.10 0.11 -0.55 8.29 7.91 2zy1A1 TYR 77 HA -0.23 0.11 0.59 -0.75 4.56 4.27 2zy1A1 TYR 77 HB2 -0.10 0.02 0.05 -0.04 3.06 2.99 2zy1A1 TYR 77 HB3 -0.12 -0.03 0.08 -0.04 2.98 2.87 2zy1A1 TYR 77 HD2 -0.11 -0.01 -0.18 -0.04 7.15 6.80 2zy1A1 TYR 77 HE2 -0.59 -0.05 -0.10 -0.04 6.85 6.07 2zy1A1 HIS 78 H -0.97 0.19 0.16 -0.55 8.41 7.24 2zy1A1 HIS 78 HA -0.30 0.21 0.91 -0.75 4.63 4.70 2zy1A1 HIS 78 HB2 -1.76 -0.05 -0.01 -0.04 3.26 1.40 2zy1A1 HIS 78 HB3 -0.72 -0.03 -0.14 -0.04 3.20 2.26 2zy1A1 HIS 78 HD2 -0.04 -0.04 -0.08 -0.04 6.97 6.77 2zy1A1 HIS 78 HE1 0.12 -0.06 -0.06 -0.04 7.75 7.71 2zy1A1 HIS 79 H 0.04 0.23 0.02 -0.55 8.41 8.15 2zy1A1 HIS 79 HA -0.14 0.10 0.70 -0.75 4.63 4.53 2zy1A1 HIS 79 HB2 -0.03 -0.00 0.16 -0.04 3.26 3.35 2zy1A1 HIS 79 HB3 0.01 0.05 0.03 -0.04 3.20 3.25 2zy1A1 HIS 79 HD2 0.07 0.01 -0.02 -0.04 6.97 6.99 2zy1A1 HIS 79 HE1 0.13 0.01 -0.09 -0.04 7.75 7.76 2zy1A1 PHE 80 H -0.22 0.22 -0.11 -0.55 8.34 7.68 2zy1A1 PHE 80 HA -0.02 0.04 0.29 -0.75 4.62 4.17 2zy1A1 PHE 80 HB2 -0.05 -0.03 -0.03 -0.04 3.15 3.00 2zy1A1 PHE 80 HB3 -0.05 -0.14 -0.16 -0.04 3.06 2.67 2zy1A1 PHE 80 HD2 -0.09 -0.04 -0.02 -0.04 7.28 7.09 2zy1A1 PHE 80 HE2 -0.13 0.08 -0.08 -0.04 7.38 7.21 2zy1A1 PHE 80 HZ 0.04 0.12 -0.06 -0.04 7.32 7.37 2zy1A1 GLN 81 H 0.13 0.09 0.12 -0.55 8.47 8.26 2zy1A1 GLN 81 HA 0.08 0.22 0.61 -0.75 4.36 4.52 2zy1A1 GLN 81 HB2 0.01 -0.05 0.04 -0.04 2.15 2.11 2zy1A1 GLN 81 HB3 0.04 0.03 0.06 -0.04 2.02 2.11 2zy1A1 GLN 81 HG2 0.05 0.06 -0.02 -0.04 2.40 2.45 2zy1A1 GLN 81 HG3 0.05 -0.02 0.04 -0.04 2.39 2.42 2zy1A1 GLN 81 HE21 0.01 0.01 -0.02 -0.04 6.97 6.93 2zy1A1 GLN 81 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.63 2zy1A1 SER 82 H -0.01 -0.04 -0.17 -0.55 8.46 7.69 2zy1A1 SER 82 HA -0.03 0.28 0.80 -0.75 4.49 4.79 2zy1A1 SER 82 HB2 -0.99 0.10 0.01 -0.04 3.95 3.02 2zy1A1 SER 82 HB3 -0.47 -0.03 -0.20 -0.04 3.93 3.19 2zy1A1 ASP 83 H -0.07 0.15 -0.02 -0.55 8.40 7.92 2zy1A1 ASP 83 HA 0.14 0.27 0.85 -0.75 4.63 5.14 2zy1A1 ASP 83 HB2 0.32 0.14 -0.03 -0.04 2.71 3.11 2zy1A1 ASP 83 HB3 0.09 -0.05 0.16 -0.04 2.70 2.85 2zy1A1 ARG 84 H 0.07 0.34 -0.07 -0.55 8.46 8.24 2zy1A1 ARG 84 HA 0.06 0.02 0.28 -0.75 4.34 3.96 2zy1A1 ARG 84 HB2 0.11 0.14 0.03 -0.04 1.90 2.13 2zy1A1 ARG 84 HB3 0.05 0.01 0.05 -0.04 1.80 1.86 2zy1A1 ARG 84 HG2 0.10 -0.03 -0.22 -0.04 1.67 1.48 2zy1A1 ARG 84 HG3 0.22 -0.01 0.04 -0.04 1.67 1.88 2zy1A1 ARG 84 HD2 0.07 0.06 -0.01 -0.04 3.22 3.30 2zy1A1 ARG 84 HD3 0.06 0.00 -0.05 -0.04 3.22 3.19 2zy1A1 ARG 85 H -0.00 0.14 -0.16 -0.55 8.46 7.88 2zy1A1 ARG 85 HA -0.01 0.08 0.37 -0.75 4.34 4.03 2zy1A1 ARG 85 HB2 -0.04 -0.02 0.06 -0.04 1.90 1.86 2zy1A1 ARG 85 HB3 0.12 0.10 0.01 -0.04 1.80 1.98 2zy1A1 ARG 85 HG2 -0.06 0.01 -0.01 -0.04 1.67 1.57 2zy1A1 ARG 85 HG3 -0.12 -0.03 0.01 -0.04 1.67 1.49 2zy1A1 ARG 85 HD2 -0.32 0.05 -0.03 -0.04 3.22 2.88 2zy1A1 ARG 85 HD3 -0.20 0.03 -0.05 -0.04 3.22 2.96 2zy1A1 ILE 86 H 0.08 0.11 -0.23 -0.55 8.25 7.65 2zy1A1 ILE 86 HA -0.03 0.11 0.41 -0.75 4.18 3.92 2zy1A1 ILE 86 HB -0.03 0.04 0.07 -0.04 1.89 1.93 2zy1A1 ILE 86 HG12 -0.00 0.04 -0.06 -0.04 1.49 1.43 2zy1A1 ILE 86 HG13 0.27 -0.10 -0.03 -0.04 1.21 1.30 2zy1A1 ILE 86 HG23 -0.08 0.02 -0.16 -0.04 0.93 0.66 2zy1A1 ILE 86 HD13 0.03 0.03 -0.10 -0.04 0.88 0.80 2zy1A1 MET 87 H -0.23 0.49 -0.09 -0.55 8.47 8.09 2zy1A1 MET 87 HA -0.42 0.06 0.42 -0.75 4.52 3.82 2zy1A1 MET 87 HB2 -1.17 0.03 0.02 -0.04 2.15 0.99 2zy1A1 MET 87 HB3 -2.13 0.04 -0.04 -0.04 2.03 -0.14 2zy1A1 MET 87 HG2 -0.36 0.04 0.02 -0.04 2.63 2.29 2zy1A1 MET 87 HG3 -0.52 -0.12 -0.05 -0.04 2.56 1.82 2zy1A1 MET 87 HE3 -0.28 -0.00 -0.00 -0.04 2.10 1.78 2zy1A1 MET 88 H -0.15 0.65 -0.15 -0.55 8.47 8.27 2zy1A1 MET 88 HA 0.16 0.07 0.50 -0.75 4.52 4.49 2zy1A1 MET 88 HB2 -0.02 0.08 0.14 -0.04 2.15 2.31 2zy1A1 MET 88 HB3 0.05 -0.06 -0.00 -0.04 2.03 1.98 2zy1A1 MET 88 HG2 0.18 0.11 0.09 -0.04 2.63 2.96 2zy1A1 MET 88 HG3 0.10 -0.07 -0.02 -0.04 2.56 2.52 2zy1A1 MET 88 HE3 0.16 -0.01 -0.01 -0.04 2.10 2.20 2zy1A1 ALA 89 H -0.18 0.41 -0.24 -0.55 8.40 7.85 2zy1A1 ALA 89 HA -0.42 0.02 0.44 -0.75 4.34 3.63 2zy1A1 ALA 89 HB3 -0.66 0.02 0.03 -0.04 1.41 0.76 2zy1A1 LEU 90 H -0.14 0.59 -0.03 -0.55 8.37 8.24 2zy1A1 LEU 90 HA 0.03 0.01 0.41 -0.75 4.35 4.04 2zy1A1 LEU 90 HB2 -0.11 0.01 0.05 -0.04 1.64 1.55 2zy1A1 LEU 90 HB3 -0.17 0.04 0.14 -0.04 1.64 1.61 2zy1A1 LEU 90 HG 0.00 0.03 -0.24 -0.04 1.64 1.39 2zy1A1 LEU 90 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.92 2zy1A1 LEU 90 HD23 -0.30 -0.01 -0.05 -0.04 0.89 0.49 2zy1A1 GLN 91 H -0.02 0.58 -0.24 -0.55 8.47 8.24 2zy1A1 GLN 91 HA 0.09 0.02 0.36 -0.75 4.36 4.08 2zy1A1 GLN 91 HB2 0.21 -0.01 0.14 -0.04 2.15 2.44 2zy1A1 GLN 91 HB3 0.16 0.06 0.17 -0.04 2.02 2.37 2zy1A1 GLN 91 HG2 0.10 -0.01 -0.14 -0.04 2.40 2.31 2zy1A1 GLN 91 HG3 0.12 0.03 0.13 -0.04 2.39 2.62 2zy1A1 GLN 91 HE21 0.06 0.30 0.05 -0.04 6.97 7.34 2zy1A1 GLN 91 HE22 0.10 0.40 0.02 -0.04 7.69 8.17 2zy1A1 HIS 92 H 0.19 0.41 -0.25 -0.55 8.41 8.23 2zy1A1 HIS 92 HA 0.15 0.03 0.42 -0.75 4.63 4.49 2zy1A1 HIS 92 HB2 0.16 0.06 0.16 -0.04 3.26 3.61 2zy1A1 HIS 92 HB3 0.32 0.10 0.13 -0.04 3.20 3.71 2zy1A1 HIS 92 HD2 0.24 0.01 -0.16 -0.04 6.97 7.02 2zy1A1 HIS 92 HE1 0.19 -0.03 -0.01 -0.04 7.75 7.86 2zy1A1 VAL 93 H 0.26 0.48 -0.15 -0.55 8.24 8.28 2zy1A1 VAL 93 HA 0.20 0.00 0.45 -0.75 4.13 4.03 2zy1A1 VAL 93 HB 0.11 0.16 0.17 -0.04 2.12 2.52 2zy1A1 VAL 93 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 2zy1A1 VAL 93 HG23 0.27 0.03 0.05 -0.04 0.95 1.26 2zy1A1 ALA 94 H 0.07 0.57 -0.13 -0.55 8.40 8.37 2zy1A1 ALA 94 HA 0.03 0.05 0.34 -0.75 4.34 4.01 2zy1A1 ALA 94 HB3 0.14 0.01 0.09 -0.04 1.41 1.60 2zy1A1 GLN 95 H -0.08 0.33 -0.51 -0.55 8.47 7.67 2zy1A1 GLN 95 HA -0.27 0.05 0.51 -0.75 4.36 3.90 2zy1A1 GLN 95 HB2 -0.42 0.10 0.10 -0.04 2.15 1.89 2zy1A1 GLN 95 HB3 -0.28 -0.11 0.11 -0.04 2.02 1.70 2zy1A1 GLN 95 HG2 -0.68 -0.04 -0.05 -0.04 2.40 1.59 2zy1A1 GLN 95 HG3 -0.19 0.37 0.12 -0.04 2.39 2.66 2zy1A1 GLN 95 HE21 0.06 -0.17 -0.00 -0.04 6.97 6.81 2zy1A1 GLN 95 HE22 -0.18 0.64 0.19 -0.04 7.69 8.31 2zy1A1 HIS 96 H -0.03 0.46 -0.28 -0.55 8.41 8.01 2zy1A1 HIS 96 HA 0.02 0.15 0.97 -0.75 4.63 5.01 2zy1A1 HIS 96 HB2 -0.04 0.04 0.07 -0.04 3.26 3.29 2zy1A1 HIS 96 HB3 -0.03 -0.10 0.09 -0.04 3.20 3.12 2zy1A1 HIS 96 HD2 -0.01 -0.03 0.02 -0.04 6.97 6.90 2zy1A1 HIS 96 HE1 -0.50 -0.08 -0.02 -0.04 7.75 7.11 2zy1A1 LYS 97 H 0.04 0.50 0.16 -0.55 8.42 8.56 2zy1A1 LYS 97 HA 0.02 0.15 0.92 -0.75 4.32 4.65 2zy1A1 LYS 97 HB2 -0.00 -0.01 -0.16 -0.04 1.87 1.65 2zy1A1 LYS 97 HB3 -0.02 -0.02 -0.01 -0.04 1.79 1.70 2zy1A1 LYS 97 HG2 0.06 -0.05 -0.27 -0.04 1.46 1.15 2zy1A1 LYS 97 HG3 -0.01 -0.07 -0.09 -0.04 1.46 1.25 2zy1A1 LYS 97 HD2 0.02 0.24 -0.15 -0.04 1.69 1.76 2zy1A1 LYS 97 HD3 -0.02 -0.09 -0.08 -0.04 1.68 1.45 2zy1A1 LYS 97 HE2 -0.05 -0.04 -0.10 -0.04 2.99 2.76 2zy1A1 LYS 97 HE3 -0.02 -0.07 0.01 -0.04 2.99 2.87 2zy1A1 ASN 98 H 0.01 0.12 0.13 -0.55 8.53 8.24 2zy1A1 ASN 98 HA 0.03 0.14 0.57 -0.75 4.76 4.74 2zy1A1 ASN 98 HB2 0.03 -0.04 0.14 -0.04 2.88 2.97 2zy1A1 ASN 98 HB3 0.04 -0.02 0.00 -0.04 2.79 2.77 2zy1A1 ASN 98 HD21 0.04 0.03 0.03 -0.04 7.03 7.09 2zy1A1 ASN 98 HD22 0.04 -0.03 0.06 -0.04 7.74 7.77 2zy1A1 ILE 99 H -0.05 0.25 0.23 -0.55 8.25 8.13 2zy1A1 ILE 99 HA -0.22 0.22 0.93 -0.75 4.18 4.36 2zy1A1 ILE 99 HB -0.72 0.04 0.12 -0.04 1.89 1.29 2zy1A1 ILE 99 HG12 -0.10 0.19 -0.31 -0.04 1.49 1.22 2zy1A1 ILE 99 HG13 -0.12 -0.01 -0.09 -0.04 1.21 0.95 2zy1A1 ILE 99 HG23 -0.73 -0.04 -0.23 -0.04 0.93 -0.12 2zy1A1 ILE 99 HD13 -0.10 0.02 -0.10 -0.04 0.88 0.66 2zy1A1 ALA 100 H -0.25 0.29 0.07 -0.55 8.40 7.97 2zy1A1 ALA 100 HA -0.09 0.09 0.54 -0.75 4.34 4.14 2zy1A1 ALA 100 HB3 -0.11 0.02 0.05 -0.04 1.41 1.33 2zy1A1 PHE 101 H 0.04 0.46 0.15 -0.55 8.34 8.43 2zy1A1 PHE 101 HA -0.06 0.06 0.28 -0.75 4.62 4.15 2zy1A1 PHE 101 HB2 -0.04 0.01 0.14 -0.04 3.15 3.22 2zy1A1 PHE 101 HB3 -0.27 0.00 -0.02 -0.04 3.06 2.73 2zy1A1 PHE 101 HD2 -0.01 -0.02 0.06 -0.04 7.28 7.27 2zy1A1 PHE 101 HE2 0.01 0.03 0.03 -0.04 7.38 7.40 2zy1A1 PHE 101 HZ 0.01 0.09 -0.10 -0.04 7.32 7.28 2zy1A1 GLN 102 H 0.03 0.16 -0.13 -0.55 8.47 7.98 2zy1A1 GLN 102 HA 0.12 0.08 0.34 -0.75 4.36 4.14 2zy1A1 GLN 102 HB2 0.11 0.05 0.07 -0.04 2.15 2.34 2zy1A1 GLN 102 HB3 0.03 0.01 -0.02 -0.04 2.02 2.00 2zy1A1 GLN 102 HG2 0.08 0.04 -0.03 -0.04 2.40 2.45 2zy1A1 GLN 102 HG3 0.09 -0.01 -0.11 -0.04 2.39 2.33 2zy1A1 GLN 102 HE21 0.19 0.04 -0.04 -0.04 6.97 7.12 2zy1A1 GLN 102 HE22 0.15 -0.01 -0.02 -0.04 7.69 7.77 2zy1A1 SER 103 H -0.13 0.26 -0.53 -0.55 8.46 7.52 2zy1A1 SER 103 HA -0.03 0.04 0.48 -0.75 4.49 4.23 2zy1A1 SER 103 HB2 -0.29 0.24 0.11 -0.04 3.95 3.97 2zy1A1 SER 103 HB3 -0.21 0.08 0.06 -0.04 3.93 3.82 2zy1A1 PHE 104 H -0.24 0.33 -0.09 -0.55 8.34 7.79 2zy1A1 PHE 104 HA -0.13 0.06 0.47 -0.75 4.62 4.26 2zy1A1 PHE 104 HB2 -0.36 0.16 0.14 -0.04 3.15 3.05 2zy1A1 PHE 104 HB3 -0.12 -0.04 -0.06 -0.04 3.06 2.80 2zy1A1 PHE 104 HD2 -0.21 -0.01 -0.03 -0.04 7.28 6.99 2zy1A1 PHE 104 HE2 -0.22 0.03 -0.06 -0.04 7.38 7.09 2zy1A1 PHE 104 HZ -0.14 0.01 -0.02 -0.04 7.32 7.12 2zy1A1 TYR 105 H -0.22 0.41 -0.21 -0.55 8.29 7.72 2zy1A1 TYR 105 HA 0.09 0.03 0.44 -0.75 4.56 4.37 2zy1A1 TYR 105 HB2 0.09 0.07 0.08 -0.04 3.06 3.26 2zy1A1 TYR 105 HB3 0.09 -0.02 0.06 -0.04 2.98 3.06 2zy1A1 TYR 105 HD2 0.09 -0.03 -0.09 -0.04 7.15 7.07 2zy1A1 TYR 105 HE2 0.06 -0.01 -0.10 -0.04 6.85 6.76 2zy1A1 ASN 106 H 0.10 0.41 -0.28 -0.55 8.53 8.21 2zy1A1 ASN 106 HA 0.14 0.02 0.41 -0.75 4.76 4.57 2zy1A1 ASN 106 HB2 0.04 0.09 0.17 -0.04 2.88 3.14 2zy1A1 ASN 106 HB3 0.14 -0.04 0.02 -0.04 2.79 2.86 2zy1A1 ASN 106 HD21 0.14 -0.05 -0.08 -0.04 7.03 7.00 2zy1A1 ASN 106 HD22 0.31 -0.03 -0.05 -0.04 7.74 7.93 2zy1A1 LEU 107 H 0.01 0.42 -0.19 -0.55 8.37 8.06 2zy1A1 LEU 107 HA -0.08 0.26 0.54 -0.75 4.35 4.31 2zy1A1 LEU 107 HB2 -0.10 0.00 0.14 -0.04 1.64 1.64 2zy1A1 LEU 107 HB3 0.02 0.07 0.21 -0.04 1.64 1.91 2zy1A1 LEU 107 HG -0.03 -0.04 -0.26 -0.04 1.64 1.27 2zy1A1 LEU 107 HD13 -0.11 -0.01 0.08 -0.04 0.93 0.85 2zy1A1 LEU 107 HD23 -0.01 -0.01 0.01 -0.04 0.89 0.84 2zy1A1 ILE 108 H 0.07 0.54 -0.10 -0.55 8.25 8.21 2zy1A1 ILE 108 HA -0.11 0.04 0.40 -0.75 4.18 3.75 2zy1A1 ILE 108 HB 0.11 0.07 0.17 -0.04 1.89 2.20 2zy1A1 ILE 108 HG12 -0.09 -0.03 0.02 -0.04 1.49 1.35 2zy1A1 ILE 108 HG13 0.02 0.06 0.06 -0.04 1.21 1.30 2zy1A1 ILE 108 HG23 -0.21 -0.02 -0.11 -0.04 0.93 0.55 2zy1A1 ILE 108 HD13 0.09 -0.03 -0.10 -0.04 0.88 0.80 2zy1A1 ASP 109 H 0.12 0.59 -0.21 -0.55 8.40 8.35 2zy1A1 ASP 109 HA 0.38 -0.00 0.35 -0.75 4.63 4.60 2zy1A1 ASP 109 HB2 0.14 0.12 0.14 -0.04 2.71 3.08 2zy1A1 ASP 109 HB3 0.16 -0.06 -0.01 -0.04 2.70 2.74 2zy1A1 THR 110 H 0.07 0.44 -0.36 -0.55 8.28 7.88 2zy1A1 THR 110 HA 0.15 -0.02 0.46 -0.75 4.39 4.23 2zy1A1 THR 110 HB -0.01 0.21 0.11 -0.04 4.32 4.58 2zy1A1 THR 110 HG23 0.03 -0.03 -0.09 -0.04 1.22 1.09 2zy1A1 VAL 111 H 0.02 0.53 -0.11 -0.55 8.24 8.12 2zy1A1 VAL 111 HA 0.10 0.04 0.39 -0.75 4.13 3.90 2zy1A1 VAL 111 HB -0.09 0.02 0.11 -0.04 2.12 2.12 2zy1A1 VAL 111 HG13 -0.01 0.05 -0.05 -0.04 0.97 0.92 2zy1A1 VAL 111 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.86 2zy1A1 TYR 112 H 0.08 0.50 -0.23 -0.55 8.29 8.08 2zy1A1 TYR 112 HA 0.01 0.02 0.34 -0.75 4.56 4.18 2zy1A1 TYR 112 HB2 0.06 0.13 0.15 -0.04 3.06 3.36 2zy1A1 TYR 112 HB3 0.06 -0.04 -0.12 -0.04 2.98 2.83 2zy1A1 TYR 112 HD2 0.04 -0.01 -0.03 -0.04 7.15 7.11 2zy1A1 TYR 112 HE2 0.03 -0.02 -0.07 -0.04 6.85 6.75 2zy1A1 LYS 113 H 0.20 0.49 -0.12 -0.55 8.42 8.44 2zy1A1 LYS 113 HA 0.11 -0.01 0.42 -0.75 4.32 4.09 2zy1A1 LYS 113 HB2 0.18 0.14 0.12 -0.04 1.87 2.27 2zy1A1 LYS 113 HB3 0.16 -0.06 -0.01 -0.04 1.79 1.84 2zy1A1 LYS 113 HG2 0.17 -0.08 0.05 -0.04 1.46 1.56 2zy1A1 LYS 113 HG3 0.18 0.22 0.15 -0.04 1.46 1.96 2zy1A1 LYS 113 HD2 0.17 0.02 0.02 -0.04 1.69 1.86 2zy1A1 LYS 113 HD3 0.15 -0.07 -0.00 -0.04 1.68 1.71 2zy1A1 LYS 113 HE2 0.12 -0.05 -0.02 -0.04 2.99 2.99 2zy1A1 LYS 113 HE3 0.14 0.07 -0.12 -0.04 2.99 3.04 2zy1A1 ASP 114 H 0.13 0.43 -0.38 -0.55 8.40 8.04 2zy1A1 ASP 114 HA 0.20 -0.05 0.28 -0.75 4.63 4.30 2zy1A1 ASP 114 HB2 0.27 0.10 0.11 -0.04 2.71 3.15 2zy1A1 ASP 114 HB3 0.14 0.20 0.03 -0.04 2.70 3.03 2zy1A1 GLN 115 H -0.17 0.41 -0.82 -0.55 8.47 7.35 2zy1A1 GLN 115 HA -0.03 0.03 0.49 -0.75 4.36 4.10 2zy1A1 GLN 115 HB2 -0.70 -0.03 0.11 -0.04 2.15 1.49 2zy1A1 GLN 115 HB3 -0.06 -0.09 0.02 -0.04 2.02 1.84 2zy1A1 GLN 115 HG2 0.03 -0.09 0.08 -0.04 2.40 2.37 2zy1A1 GLN 115 HG3 -0.00 0.21 0.21 -0.04 2.39 2.76 2zy1A1 GLN 115 HE21 0.14 -0.13 0.01 -0.04 6.97 6.96 2zy1A1 GLN 115 HE22 0.22 0.06 0.17 -0.04 7.69 8.10 2zy1A1 HIS 116 H -0.74 0.37 -0.08 -0.55 8.41 7.42 2zy1A1 HIS 116 HA 0.05 0.14 0.75 -0.75 4.63 4.81 2zy1A1 HIS 116 HB2 0.02 -0.04 0.24 -0.04 3.26 3.44 2zy1A1 HIS 116 HB3 0.02 -0.04 0.11 -0.04 3.20 3.26 2zy1A1 HIS 116 HD2 0.04 0.01 -0.08 -0.04 6.97 6.90 2zy1A1 HIS 116 HE1 0.04 -0.07 -0.01 -0.04 7.75 7.66 2zy1A1 PHE 117 H 0.16 0.37 -0.72 -0.55 8.34 7.59 2zy1A1 PHE 117 HA -0.04 -0.03 0.32 -0.75 4.62 4.11 2zy1A1 PHE 117 HB2 -0.08 0.22 0.10 -0.04 3.15 3.35 2zy1A1 PHE 117 HB3 -0.10 0.01 0.06 -0.04 3.06 2.99 2zy1A1 PHE 117 HD2 -0.18 0.01 -0.19 -0.04 7.28 6.88 2zy1A1 PHE 117 HE2 -0.57 -0.10 -0.09 -0.04 7.38 6.59 2zy1A1 PHE 117 HZ -0.85 0.18 0.00 -0.04 7.32 6.62 2zy1A1 THR 118 H -0.90 0.28 0.23 -0.55 8.28 7.34 2zy1A1 THR 118 HA -0.25 0.11 0.74 -0.75 4.39 4.24 2zy1A1 THR 118 HB -0.16 -0.07 0.10 -0.04 4.32 4.16 2zy1A1 THR 118 HG23 -0.06 0.09 -0.14 -0.04 1.22 1.07 2zy1A1 MET 119 H -0.26 0.10 0.11 -0.55 8.47 7.88 2zy1A1 MET 119 HA -0.62 0.14 0.43 -0.75 4.52 3.72 2zy1A1 MET 119 HB2 -0.09 -0.05 0.07 -0.04 2.15 2.03 2zy1A1 MET 119 HB3 -0.08 0.01 -0.00 -0.04 2.03 1.92 2zy1A1 MET 119 HG2 0.03 0.13 0.09 -0.04 2.63 2.84 2zy1A1 MET 119 HG3 0.05 0.03 0.08 -0.04 2.56 2.67 2zy1A1 MET 119 HE3 0.05 -0.00 -0.05 -0.04 2.10 2.05 2zy1A1 PHE 120 H -0.40 0.22 0.14 -0.55 8.34 7.75 2zy1A1 PHE 120 HA -0.10 0.12 0.56 -0.75 4.62 4.45 2zy1A1 PHE 120 HB2 -0.01 -0.01 0.01 -0.04 3.15 3.11 2zy1A1 PHE 120 HB3 -0.02 -0.12 0.02 -0.04 3.06 2.89 2zy1A1 PHE 120 HD2 -0.01 0.11 -0.01 -0.04 7.28 7.32 2zy1A1 PHE 120 HE2 0.10 0.02 0.02 -0.04 7.38 7.47 2zy1A1 PHE 120 HZ -0.51 0.03 0.00 -0.04 7.32 6.80 2zy1A1 GLU 121 H 0.10 0.20 0.23 -0.55 8.60 8.59 2zy1A1 GLU 121 HA 0.04 0.11 0.50 -0.75 4.29 4.19 2zy1A1 GLU 121 HB2 0.05 -0.06 0.18 -0.04 2.09 2.22 2zy1A1 GLU 121 HB3 0.03 0.01 0.05 -0.04 1.99 2.04 2zy1A1 GLU 121 HG2 0.02 0.09 0.10 -0.04 2.34 2.52 2zy1A1 GLU 121 HG3 0.02 0.04 0.06 -0.04 2.34 2.41 2zy1A1 THR 122 H 0.07 0.13 0.07 -0.55 8.28 8.01 2zy1A1 THR 122 HA 0.05 0.15 0.88 -0.75 4.39 4.71 2zy1A1 THR 122 HB 0.03 0.02 0.19 -0.04 4.32 4.52 2zy1A1 THR 122 HG23 0.03 0.07 -0.19 -0.04 1.22 1.09 2zy1A1 ASP 123 H 0.00 0.26 0.18 -0.55 8.40 8.29 2zy1A1 ASP 123 HA -0.27 0.11 0.52 -0.75 4.63 4.24 2zy1A1 ASP 123 HB2 0.03 0.04 0.15 -0.04 2.71 2.88 2zy1A1 ASP 123 HB3 -0.50 0.09 0.06 -0.04 2.70 2.30 2zy1A1 ALA 124 H -0.02 0.07 -0.20 -0.55 8.40 7.71 2zy1A1 ALA 124 HA 0.13 0.13 0.40 -0.75 4.34 4.25 2zy1A1 ALA 124 HB3 0.05 0.04 0.04 -0.04 1.41 1.50 2zy1A1 GLU 125 H -0.07 0.10 -0.26 -0.55 8.60 7.83 2zy1A1 GLU 125 HA -0.06 0.14 0.51 -0.75 4.29 4.13 2zy1A1 GLU 125 HB2 0.00 -0.02 0.14 -0.04 2.09 2.17 2zy1A1 GLU 125 HB3 0.01 0.13 0.04 -0.04 1.99 2.13 2zy1A1 GLU 125 HG2 0.06 0.14 0.05 -0.04 2.34 2.54 2zy1A1 GLU 125 HG3 0.02 -0.07 0.03 -0.04 2.34 2.28 2zy1A1 LEU 126 H -0.35 0.25 -0.07 -0.55 8.37 7.65 2zy1A1 LEU 126 HA -1.26 0.12 0.53 -0.75 4.35 2.98 2zy1A1 LEU 126 HB2 -0.13 0.09 0.13 -0.04 1.64 1.69 2zy1A1 LEU 126 HB3 -0.48 -0.03 0.25 -0.04 1.64 1.33 2zy1A1 LEU 126 HG -0.15 -0.01 -0.34 -0.04 1.64 1.10 2zy1A1 LEU 126 HD13 0.13 0.06 0.01 -0.04 0.93 1.09 2zy1A1 LEU 126 HD23 -0.23 -0.01 0.01 -0.04 0.89 0.63 2zy1A1 PHE 127 H -0.47 0.76 -0.00 -0.55 8.34 8.08 2zy1A1 PHE 127 HA 0.03 0.03 0.52 -0.75 4.62 4.45 2zy1A1 PHE 127 HB2 0.03 0.06 0.10 -0.04 3.15 3.29 2zy1A1 PHE 127 HB3 0.04 -0.02 0.04 -0.04 3.06 3.08 2zy1A1 PHE 127 HD2 0.05 -0.02 -0.08 -0.04 7.28 7.19 2zy1A1 PHE 127 HE2 0.12 -0.01 -0.04 -0.04 7.38 7.40 2zy1A1 PHE 127 HZ 0.18 0.00 -0.00 -0.04 7.32 7.46 2zy1A1 GLY 128 H 0.03 0.41 -0.28 -0.55 8.43 8.04 2zy1A1 GLY 128 HA2 0.15 -0.00 0.46 -0.51 4.01 4.10 2zy1A1 GLY 128 HA3 0.08 0.07 0.31 -0.51 4.01 3.96 2zy1A1 TYR 129 H -0.01 0.48 -0.24 -0.55 8.29 7.97 2zy1A1 TYR 129 HA 0.06 0.05 0.56 -0.75 4.56 4.48 2zy1A1 TYR 129 HB2 -0.15 0.02 0.15 -0.04 3.06 3.04 2zy1A1 TYR 129 HB3 -0.23 0.19 0.24 -0.04 2.98 3.13 2zy1A1 TYR 129 HD2 0.20 0.01 -0.08 -0.04 7.15 7.24 2zy1A1 TYR 129 HE2 0.08 0.04 -0.07 -0.04 6.85 6.85 2zy1A1 CYS 130 H 0.14 0.46 -0.10 -0.55 8.50 8.45 2zy1A1 CYS 130 HA -0.04 0.04 0.33 -0.75 4.58 4.16 2zy1A1 CYS 130 HB2 0.18 0.10 0.19 -0.04 2.97 3.40 2zy1A1 CYS 130 HB3 0.09 -0.06 0.08 -0.04 2.97 3.04 2zy1A1 TYR 131 H 0.15 0.55 -0.24 -0.55 8.29 8.20 2zy1A1 TYR 131 HA -0.02 -0.08 0.52 -0.75 4.56 4.22 2zy1A1 TYR 131 HB2 0.02 -0.01 0.09 -0.04 3.06 3.11 2zy1A1 TYR 131 HB3 0.01 0.17 0.18 -0.04 2.98 3.30 2zy1A1 TYR 131 HD2 -0.00 0.04 -0.05 -0.04 7.15 7.10 2zy1A1 TYR 131 HE2 -0.01 0.02 -0.15 -0.04 6.85 6.68 2zy1A1 GLY 132 H -0.03 0.61 -0.10 -0.55 8.43 8.36 2zy1A1 GLY 132 HA2 -0.34 -0.04 0.26 -0.51 4.01 3.38 2zy1A1 GLY 132 HA3 -0.13 0.09 0.34 -0.51 4.01 3.80 2zy1A1 VAL 133 H -0.39 0.51 -0.15 -0.55 8.24 7.65 2zy1A1 VAL 133 HA -0.22 0.21 0.87 -0.75 4.13 4.24 2zy1A1 VAL 133 HB -0.19 -0.00 0.10 -0.04 2.12 1.99 2zy1A1 VAL 133 HG13 -0.46 0.03 -0.06 -0.04 0.97 0.43 2zy1A1 VAL 133 HG23 -0.37 0.04 -0.09 -0.04 0.95 0.49 2zy1A1 ALA 134 H -0.26 0.25 -0.16 -0.55 8.40 7.68 2zy1A1 ALA 134 HA -0.15 0.14 0.93 -0.75 4.34 4.50 2zy1A1 ALA 134 HB3 -0.07 0.06 -0.10 -0.04 1.41 1.25 2zy1A1 GLY 135 H -0.19 0.47 0.33 -0.55 8.43 8.49 2zy1A1 GLY 135 HA2 -0.02 0.13 0.62 -0.51 4.01 4.23 2zy1A1 GLY 135 HA3 0.00 0.02 0.43 -0.51 4.01 3.95 2zy1A1 THR 136 H -0.55 0.57 -0.12 -0.55 8.28 7.63 2zy1A1 THR 136 HA -0.21 -0.02 0.37 -0.75 4.39 3.77 2zy1A1 THR 136 HB -0.25 0.03 -0.06 -0.04 4.32 4.00 2zy1A1 THR 136 HG23 -0.56 0.02 -0.01 -0.04 1.22 0.63 2zy1A1 VAL 137 H -0.22 0.17 -0.41 -0.55 8.24 7.24 2zy1A1 VAL 137 HA -0.25 0.02 0.39 -0.75 4.13 3.53 2zy1A1 VAL 137 HB -0.17 0.13 0.10 -0.04 2.12 2.13 2zy1A1 VAL 137 HG13 -0.17 -0.01 -0.09 -0.04 0.97 0.65 2zy1A1 VAL 137 HG23 -0.17 0.01 -0.01 -0.04 0.95 0.73 2zy1A1 GLY 138 H -0.13 0.54 -0.17 -0.55 8.43 8.13 2zy1A1 GLY 138 HA2 -0.11 -0.00 0.37 -0.51 4.01 3.75 2zy1A1 GLY 138 HA3 -0.05 0.19 0.14 -0.51 4.01 3.77 2zy1A1 GLU 139 H -0.05 0.46 -0.27 -0.55 8.60 8.19 2zy1A1 GLU 139 HA 0.16 -0.02 0.39 -0.75 4.29 4.06 2zy1A1 GLU 139 HB2 -0.02 0.14 0.15 -0.04 2.09 2.32 2zy1A1 GLU 139 HB3 0.11 -0.09 0.01 -0.04 1.99 1.98 2zy1A1 GLU 139 HG2 0.21 -0.06 0.00 -0.04 2.34 2.45 2zy1A1 GLU 139 HG3 0.13 0.21 0.04 -0.04 2.34 2.68 2zy1A1 VAL 140 H -0.20 0.51 -0.15 -0.55 8.24 7.85 2zy1A1 VAL 140 HA -0.25 -0.10 0.47 -0.75 4.13 3.51 2zy1A1 VAL 140 HB -0.39 0.11 0.12 -0.04 2.12 1.92 2zy1A1 VAL 140 HG13 -0.46 -0.03 -0.07 -0.04 0.97 0.37 2zy1A1 VAL 140 HG23 -0.91 0.04 -0.01 -0.04 0.95 0.03 2zy1A1 LEU 141 H -0.18 0.57 -0.18 -0.55 8.37 8.04 2zy1A1 LEU 141 HA -0.18 0.04 0.45 -0.75 4.35 3.91 2zy1A1 LEU 141 HB2 -0.18 0.12 0.07 -0.04 1.64 1.60 2zy1A1 LEU 141 HB3 -0.23 -0.09 -0.01 -0.04 1.64 1.27 2zy1A1 LEU 141 HG -0.22 0.07 -0.01 -0.04 1.64 1.44 2zy1A1 LEU 141 HD13 -0.32 -0.02 -0.11 -0.04 0.93 0.44 2zy1A1 LEU 141 HD23 -0.28 -0.01 -0.02 -0.04 0.89 0.54 2zy1A1 THR 142 H -0.14 0.32 -0.49 -0.55 8.28 7.42 2zy1A1 THR 142 HA -0.09 -0.03 0.28 -0.75 4.39 3.80 2zy1A1 THR 142 HB -0.53 0.22 0.12 -0.04 4.32 4.08 2zy1A1 THR 142 HG23 -0.92 -0.05 -0.23 -0.04 1.22 -0.02 2zy1A1 PRO 143 HA -0.10 0.02 0.43 -0.51 4.44 4.28 2zy1A1 PRO 143 HB2 -0.06 0.09 0.03 -0.04 2.28 2.29 2zy1A1 PRO 143 HB3 -0.03 -0.07 0.16 -0.04 2.02 2.04 2zy1A1 PRO 143 HG2 -0.02 0.33 0.12 -0.04 2.03 2.41 2zy1A1 PRO 143 HG3 0.02 -0.11 0.04 -0.04 2.03 1.95 2zy1A1 PRO 143 HD2 -0.11 0.40 -0.08 -0.04 3.68 3.85 2zy1A1 PRO 143 HD3 -0.13 0.12 0.08 -0.04 3.65 3.68 2zy1A1 ILE 144 H -0.11 0.36 -0.32 -0.55 8.25 7.63 2zy1A1 ILE 144 HA -0.09 0.08 0.57 -0.75 4.18 3.99 2zy1A1 ILE 144 HB -0.15 0.11 0.08 -0.04 1.89 1.88 2zy1A1 ILE 144 HG12 -0.12 0.09 0.04 -0.04 1.49 1.46 2zy1A1 ILE 144 HG13 -0.12 -0.06 -0.08 -0.04 1.21 0.91 2zy1A1 ILE 144 HG23 -0.15 -0.03 -0.01 -0.04 0.93 0.70 2zy1A1 ILE 144 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 2zy1A1 LEU 145 H -0.09 0.43 -0.08 -0.55 8.37 8.09 2zy1A1 LEU 145 HA -0.05 0.08 0.67 -0.75 4.35 4.29 2zy1A1 LEU 145 HB2 -0.02 0.08 0.02 -0.04 1.64 1.67 2zy1A1 LEU 145 HB3 -0.18 -0.11 0.13 -0.04 1.64 1.44 2zy1A1 LEU 145 HG -0.17 0.13 -0.03 -0.04 1.64 1.54 2zy1A1 LEU 145 HD13 -0.26 -0.02 -0.09 -0.04 0.93 0.52 2zy1A1 LEU 145 HD23 -0.11 -0.00 -0.12 -0.04 0.89 0.62 2zy1A1 SER 146 H -0.04 0.41 -0.30 -0.55 8.46 7.98 2zy1A1 SER 146 HA 0.03 -0.09 0.95 -0.75 4.49 4.62 2zy1A1 SER 146 HB2 -0.07 -0.01 0.01 -0.04 3.95 3.84 2zy1A1 SER 146 HB3 0.04 0.03 -0.16 -0.04 3.93 3.80 2zy1A1 ASP 147 H -0.08 0.13 0.12 -0.55 8.40 8.02 2zy1A1 ASP 147 HA -0.22 0.21 0.65 -0.75 4.63 4.52 2zy1A1 ASP 147 HB2 -0.21 -0.00 0.11 -0.04 2.71 2.57 2zy1A1 ASP 147 HB3 -0.49 0.04 0.06 -0.04 2.70 2.27 2zy1A1 HIS 148 H -0.08 0.09 -0.05 -0.55 8.41 7.82 2zy1A1 HIS 148 HA -0.01 0.22 0.84 -0.75 4.63 4.93 2zy1A1 HIS 148 HB2 -0.02 -0.03 0.16 -0.04 3.26 3.33 2zy1A1 HIS 148 HB3 -0.01 0.04 0.07 -0.04 3.20 3.26 2zy1A1 HIS 148 HD2 -0.01 -0.02 -0.04 -0.04 6.97 6.86 2zy1A1 HIS 148 HE1 0.00 0.01 -0.00 -0.04 7.75 7.71 2zy1A1 GLU 149 H -0.01 0.23 -0.13 -0.55 8.60 8.15 2zy1A1 GLU 149 HA -0.09 -0.04 0.33 -0.75 4.29 3.74 2zy1A1 GLU 149 HB2 0.13 -0.00 -0.02 -0.04 2.09 2.15 2zy1A1 GLU 149 HB3 -0.22 -0.02 -0.05 -0.04 1.99 1.67 2zy1A1 GLU 149 HG2 -0.12 0.04 -0.13 -0.04 2.34 2.09 2zy1A1 GLU 149 HG3 -0.05 -0.04 -0.04 -0.04 2.34 2.17 2zy1A1 THR 150 H -0.04 0.04 0.27 -0.55 8.28 8.01 2zy1A1 THR 150 HA 0.11 0.29 0.84 -0.75 4.39 4.87 2zy1A1 THR 150 HB 0.06 -0.01 0.20 -0.04 4.32 4.54 2zy1A1 THR 150 HG23 0.01 0.10 -0.04 -0.04 1.22 1.25 2zy1A1 HIS 151 H 0.26 0.25 0.16 -0.55 8.41 8.53 2zy1A1 HIS 151 HA 0.13 0.11 0.40 -0.75 4.63 4.51 2zy1A1 HIS 151 HB2 0.01 0.04 0.10 -0.04 3.26 3.37 2zy1A1 HIS 151 HB3 0.01 0.06 0.15 -0.04 3.20 3.38 2zy1A1 HIS 151 HD2 -0.00 0.00 -0.15 -0.04 6.97 6.78 2zy1A1 HIS 151 HE1 -0.01 0.06 0.01 -0.04 7.75 7.76 2zy1A1 GLN 152 H -0.56 0.09 -0.24 -0.55 8.47 7.22 2zy1A1 GLN 152 HA -0.40 0.10 0.39 -0.75 4.36 3.70 2zy1A1 GLN 152 HB2 -0.48 0.02 0.09 -0.04 2.15 1.73 2zy1A1 GLN 152 HB3 -0.26 0.02 0.04 -0.04 2.02 1.78 2zy1A1 GLN 152 HG2 -0.21 0.01 -0.11 -0.04 2.40 2.06 2zy1A1 GLN 152 HG3 -0.19 0.01 0.04 -0.04 2.39 2.20 2zy1A1 GLN 152 HE21 -0.09 0.04 -0.01 -0.04 6.97 6.87 2zy1A1 GLN 152 HE22 -0.12 0.01 -0.00 -0.04 7.69 7.54 2zy1A1 THR 153 H -0.16 0.10 -0.21 -0.55 8.28 7.46 2zy1A1 THR 153 HA -0.38 0.11 0.32 -0.75 4.39 3.69 2zy1A1 THR 153 HB -0.31 0.05 0.08 -0.04 4.32 4.09 2zy1A1 THR 153 HG23 -0.33 0.03 -0.12 -0.04 1.22 0.76 2zy1A1 TYR 154 H 0.08 0.35 -0.15 -0.55 8.29 8.01 2zy1A1 TYR 154 HA -0.01 0.07 0.38 -0.75 4.56 4.25 2zy1A1 TYR 154 HB2 -0.01 0.09 0.13 -0.04 3.06 3.23 2zy1A1 TYR 154 HB3 0.00 -0.03 -0.03 -0.04 2.98 2.88 2zy1A1 TYR 154 HD2 -0.02 0.05 -0.03 -0.04 7.15 7.11 2zy1A1 TYR 154 HE2 -0.03 0.09 -0.07 -0.04 6.85 6.80 2zy1A1 ASP 155 H 0.04 0.55 -0.17 -0.55 8.40 8.28 2zy1A1 ASP 155 HA 0.06 -0.00 0.37 -0.75 4.63 4.30 2zy1A1 ASP 155 HB2 -0.06 0.10 0.14 -0.04 2.71 2.85 2zy1A1 ASP 155 HB3 0.00 -0.04 -0.03 -0.04 2.70 2.60 2zy1A1 VAL 156 H -0.07 0.63 -0.14 -0.55 8.24 8.10 2zy1A1 VAL 156 HA -0.00 0.02 0.51 -0.75 4.13 3.90 2zy1A1 VAL 156 HB -0.21 0.09 0.13 -0.04 2.12 2.09 2zy1A1 VAL 156 HG13 0.06 0.00 -0.11 -0.04 0.97 0.89 2zy1A1 VAL 156 HG23 -0.12 0.05 0.05 -0.04 0.95 0.89 2zy1A1 ALA 157 H 0.06 0.56 -0.13 -0.55 8.40 8.34 2zy1A1 ALA 157 HA 0.19 0.02 0.33 -0.75 4.34 4.12 2zy1A1 ALA 157 HB3 0.09 0.02 -0.01 -0.04 1.41 1.48 2zy1A1 ARG 158 H 0.07 0.65 -0.23 -0.55 8.46 8.40 2zy1A1 ARG 158 HA 0.05 0.07 0.56 -0.75 4.34 4.27 2zy1A1 ARG 158 HB2 0.13 0.05 0.09 -0.04 1.90 2.13 2zy1A1 ARG 158 HB3 0.09 0.10 0.16 -0.04 1.80 2.11 2zy1A1 ARG 158 HG2 0.18 -0.06 -0.12 -0.04 1.67 1.62 2zy1A1 ARG 158 HG3 0.30 -0.06 0.01 -0.04 1.67 1.88 2zy1A1 ARG 158 HD2 0.05 0.02 -0.04 -0.04 3.22 3.21 2zy1A1 ARG 158 HD3 0.05 -0.05 -0.06 -0.04 3.22 3.12 2zy1A1 ARG 159 H 0.05 0.60 -0.15 -0.55 8.46 8.40 2zy1A1 ARG 159 HA 0.03 -0.04 0.33 -0.75 4.34 3.91 2zy1A1 ARG 159 HB2 0.01 0.05 0.12 -0.04 1.90 2.04 2zy1A1 ARG 159 HB3 0.02 0.14 0.15 -0.04 1.80 2.07 2zy1A1 ARG 159 HG2 0.01 0.01 -0.21 -0.04 1.67 1.44 2zy1A1 ARG 159 HG3 -0.01 -0.09 0.03 -0.04 1.67 1.56 2zy1A1 ARG 159 HD2 -0.01 0.04 -0.06 -0.04 3.22 3.16 2zy1A1 ARG 159 HD3 -0.02 -0.05 0.00 -0.04 3.22 3.12 2zy1A1 LEU 160 H 0.05 0.59 -0.21 -0.55 8.37 8.25 2zy1A1 LEU 160 HA 0.07 0.01 0.38 -0.75 4.35 4.05 2zy1A1 LEU 160 HB2 0.07 0.05 0.07 -0.04 1.64 1.79 2zy1A1 LEU 160 HB3 0.04 0.10 0.13 -0.04 1.64 1.87 2zy1A1 LEU 160 HG 0.02 -0.02 -0.22 -0.04 1.64 1.37 2zy1A1 LEU 160 HD13 0.12 -0.02 0.01 -0.04 0.93 1.00 2zy1A1 LEU 160 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.78 2zy1A1 GLY 161 H 0.01 0.60 -0.17 -0.55 8.43 8.33 2zy1A1 GLY 161 HA2 -0.05 -0.00 0.35 -0.51 4.01 3.79 2zy1A1 GLY 161 HA3 -0.05 0.16 0.19 -0.51 4.01 3.80 2zy1A1 GLU 162 H 0.03 0.54 -0.25 -0.55 8.60 8.38 2zy1A1 GLU 162 HA 0.03 0.03 0.32 -0.75 4.29 3.91 2zy1A1 GLU 162 HB2 0.03 0.12 0.07 -0.04 2.09 2.27 2zy1A1 GLU 162 HB3 0.06 -0.08 -0.03 -0.04 1.99 1.91 2zy1A1 GLU 162 HG2 0.06 -0.05 -0.47 -0.04 2.34 1.85 2zy1A1 GLU 162 HG3 0.07 0.18 0.04 -0.04 2.34 2.58 2zy1A1 SER 163 H 0.05 0.58 -0.22 -0.55 8.46 8.32 2zy1A1 SER 163 HA 0.06 -0.03 0.46 -0.75 4.49 4.22 2zy1A1 SER 163 HB2 0.07 -0.02 0.08 -0.04 3.95 4.04 2zy1A1 SER 163 HB3 0.10 0.18 0.18 -0.04 3.93 4.35 2zy1A1 LEU 164 H 0.08 0.61 -0.15 -0.55 8.37 8.37 2zy1A1 LEU 164 HA 0.28 -0.00 0.37 -0.75 4.35 4.24 2zy1A1 LEU 164 HB2 0.02 0.13 0.11 -0.04 1.64 1.85 2zy1A1 LEU 164 HB3 -0.02 -0.06 0.01 -0.04 1.64 1.53 2zy1A1 LEU 164 HG 0.10 0.27 0.06 -0.04 1.64 2.02 2zy1A1 LEU 164 HD13 -0.08 -0.03 -0.13 -0.04 0.93 0.65 2zy1A1 LEU 164 HD23 0.22 -0.03 -0.03 -0.04 0.89 1.01 2zy1A1 GLN 165 H 0.07 0.52 -0.17 -0.55 8.47 8.34 2zy1A1 GLN 165 HA 0.12 0.05 0.41 -0.75 4.36 4.18 2zy1A1 GLN 165 HB2 0.01 0.06 0.09 -0.04 2.15 2.27 2zy1A1 GLN 165 HB3 0.06 0.07 0.11 -0.04 2.02 2.21 2zy1A1 GLN 165 HG2 -0.02 -0.02 -0.04 -0.04 2.40 2.28 2zy1A1 GLN 165 HG3 0.09 -0.05 -0.14 -0.04 2.39 2.24 2zy1A1 GLN 165 HE21 0.04 0.06 -0.05 -0.04 6.97 6.98 2zy1A1 GLN 165 HE22 0.03 -0.05 -0.04 -0.04 7.69 7.58 2zy1A1 LEU 166 H 0.10 0.51 -0.23 -0.55 8.37 8.21 2zy1A1 LEU 166 HA 0.08 -0.01 0.45 -0.75 4.35 4.11 2zy1A1 LEU 166 HB2 0.12 0.04 0.11 -0.04 1.64 1.87 2zy1A1 LEU 166 HB3 0.06 0.13 0.15 -0.04 1.64 1.94 2zy1A1 LEU 166 HG 0.00 -0.00 -0.13 -0.04 1.64 1.46 2zy1A1 LEU 166 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 2zy1A1 LEU 166 HD23 0.15 -0.02 0.01 -0.04 0.89 1.00 2zy1A1 ILE 167 H 0.12 0.52 -0.17 -0.55 8.25 8.17 2zy1A1 ILE 167 HA 0.00 -0.02 0.38 -0.75 4.18 3.79 2zy1A1 ILE 167 HB 0.28 0.14 0.13 -0.04 1.89 2.40 2zy1A1 ILE 167 HG12 0.01 -0.07 0.00 -0.04 1.49 1.40 2zy1A1 ILE 167 HG13 0.06 0.05 0.05 -0.04 1.21 1.33 2zy1A1 ILE 167 HG23 -0.07 0.01 -0.16 -0.04 0.93 0.67 2zy1A1 ILE 167 HD13 0.14 -0.02 -0.17 -0.04 0.88 0.79 2zy1A1 ASN 168 H 0.23 0.57 -0.19 -0.55 8.53 8.59 2zy1A1 ASN 168 HA 0.10 0.01 0.41 -0.75 4.76 4.52 2zy1A1 ASN 168 HB2 0.34 0.06 0.13 -0.04 2.88 3.36 2zy1A1 ASN 168 HB3 0.14 0.16 0.18 -0.04 2.79 3.23 2zy1A1 ASN 168 HD21 0.16 0.02 -0.02 -0.04 7.03 7.15 2zy1A1 ASN 168 HD22 0.31 -0.03 0.01 -0.04 7.74 7.99 2zy1A1 ILE 169 H 0.07 0.57 -0.17 -0.55 8.25 8.17 2zy1A1 ILE 169 HA -0.01 0.02 0.38 -0.75 4.18 3.81 2zy1A1 ILE 169 HB 0.04 0.14 0.16 -0.04 1.89 2.19 2zy1A1 ILE 169 HG12 -0.32 -0.05 -0.02 -0.04 1.49 1.06 2zy1A1 ILE 169 HG13 -0.06 0.08 0.01 -0.04 1.21 1.20 2zy1A1 ILE 169 HG23 0.09 -0.04 -0.19 -0.04 0.93 0.75 2zy1A1 ILE 169 HD13 0.09 -0.02 -0.10 -0.04 0.88 0.81 2zy1A1 LEU 170 H 0.06 0.54 -0.26 -0.55 8.37 8.16 2zy1A1 LEU 170 HA 0.24 -0.05 0.38 -0.75 4.35 4.17 2zy1A1 LEU 170 HB2 -0.05 0.10 0.14 -0.04 1.64 1.79 2zy1A1 LEU 170 HB3 -0.24 -0.06 0.02 -0.04 1.64 1.32 2zy1A1 LEU 170 HG -0.11 0.14 0.02 -0.04 1.64 1.65 2zy1A1 LEU 170 HD13 -0.50 -0.04 -0.20 -0.04 0.93 0.14 2zy1A1 LEU 170 HD23 -0.81 -0.03 0.03 -0.04 0.89 0.04 2zy1A1 ARG 171 H 0.13 0.48 -0.27 -0.55 8.46 8.25 2zy1A1 ARG 171 HA 0.23 0.03 0.59 -0.75 4.34 4.44 2zy1A1 ARG 171 HB2 0.04 -0.01 0.07 -0.04 1.90 1.96 2zy1A1 ARG 171 HB3 0.06 0.15 0.14 -0.04 1.80 2.10 2zy1A1 ARG 171 HG2 0.06 -0.05 0.01 -0.04 1.67 1.65 2zy1A1 ARG 171 HG3 0.04 -0.07 0.05 -0.04 1.67 1.65 2zy1A1 ARG 171 HD2 0.00 0.17 0.02 -0.04 3.22 3.37 2zy1A1 ARG 171 HD3 -0.09 -0.06 -0.01 -0.04 3.22 3.02 2zy1A1 ASP 172 H 0.13 0.38 -0.30 -0.55 8.40 8.06 2zy1A1 ASP 172 HA 0.10 0.22 0.89 -0.75 4.63 5.08 2zy1A1 ASP 172 HB2 0.06 0.09 0.06 -0.04 2.71 2.88 2zy1A1 ASP 172 HB3 0.07 -0.12 0.13 -0.04 2.70 2.74 2zy1A1 VAL 173 H 0.19 0.31 -0.26 -0.55 8.24 7.93 2zy1A1 VAL 173 HA 0.03 0.00 0.37 -0.75 4.13 3.78 2zy1A1 VAL 173 HB 0.24 0.07 0.10 -0.04 2.12 2.49 2zy1A1 VAL 173 HG13 0.10 -0.03 -0.08 -0.04 0.97 0.92 2zy1A1 VAL 173 HG23 0.18 0.02 0.06 -0.04 0.95 1.16 2zy1A1 GLY 174 H 0.10 0.21 -0.11 -0.55 8.43 8.08 2zy1A1 GLY 174 HA2 0.17 -0.00 0.43 -0.51 4.01 4.10 2zy1A1 GLY 174 HA3 0.07 0.33 0.42 -0.51 4.01 4.32 2zy1A1 GLU 175 H 0.08 0.12 -0.15 -0.55 8.60 8.10 2zy1A1 GLU 175 HA 0.06 0.05 0.35 -0.75 4.29 4.00 2zy1A1 GLU 175 HB2 0.06 -0.02 0.01 -0.04 2.09 2.11 2zy1A1 GLU 175 HB3 0.06 0.06 0.04 -0.04 1.99 2.11 2zy1A1 GLU 175 HG2 0.03 0.03 -0.15 -0.04 2.34 2.21 2zy1A1 GLU 175 HG3 0.04 -0.01 0.02 -0.04 2.34 2.34 2zy1A1 ASP 176 H 0.07 0.66 -0.17 -0.55 8.40 8.41 2zy1A1 ASP 176 HA 0.02 0.03 0.48 -0.75 4.63 4.41 2zy1A1 ASP 176 HB2 0.10 0.07 0.12 -0.04 2.71 2.96 2zy1A1 ASP 176 HB3 0.11 -0.00 -0.06 -0.04 2.70 2.70 2zy1A1 PHE 177 H 0.11 0.56 -0.05 -0.55 8.34 8.40 2zy1A1 PHE 177 HA -0.17 0.02 0.36 -0.75 4.62 4.08 2zy1A1 PHE 177 HB2 -0.12 -0.07 0.11 -0.04 3.15 3.04 2zy1A1 PHE 177 HB3 -0.23 0.16 0.21 -0.04 3.06 3.16 2zy1A1 PHE 177 HD2 -0.68 0.04 -0.09 -0.04 7.28 6.52 2zy1A1 PHE 177 HE2 -0.24 -0.01 -0.04 -0.04 7.38 7.04 2zy1A1 PHE 177 HZ -0.08 -0.02 -0.00 -0.04 7.32 7.17 2zy1A1 GLU 178 H -0.11 0.53 -0.10 -0.55 8.60 8.38 2zy1A1 GLU 178 HA -0.43 -0.02 0.42 -0.75 4.29 3.50 2zy1A1 GLU 178 HB2 -0.06 0.14 0.09 -0.04 2.09 2.22 2zy1A1 GLU 178 HB3 -0.08 -0.07 0.08 -0.04 1.99 1.89 2zy1A1 GLU 178 HG2 -0.10 -0.07 0.05 -0.04 2.34 2.18 2zy1A1 GLU 178 HG3 0.02 0.36 0.10 -0.04 2.34 2.78 2zy1A1 ASN 179 H -0.15 0.36 -0.51 -0.55 8.53 7.68 2zy1A1 ASN 179 HA -0.14 0.11 0.74 -0.75 4.76 4.72 2zy1A1 ASN 179 HB2 -0.08 0.05 0.17 -0.04 2.88 2.98 2zy1A1 ASN 179 HB3 -0.09 -0.05 0.18 -0.04 2.79 2.79 2zy1A1 ASN 179 HD21 -0.01 -0.08 -0.03 -0.04 7.03 6.86 2zy1A1 ASN 179 HD22 -0.01 -0.03 -0.04 -0.04 7.74 7.61 2zy1A1 GLU 180 H -0.37 0.46 -0.63 -0.55 8.60 7.51 2zy1A1 GLU 180 HA -0.36 -0.01 0.28 -0.75 4.29 3.45 2zy1A1 GLU 180 HB2 -0.18 0.19 -0.12 -0.04 2.09 1.94 2zy1A1 GLU 180 HB3 -0.17 -0.09 0.19 -0.04 1.99 1.88 2zy1A1 GLU 180 HG2 -0.24 -0.05 0.03 -0.04 2.34 2.04 2zy1A1 GLU 180 HG3 -0.22 0.11 -0.14 -0.04 2.34 2.05 2zy1A1 ARG 181 H -0.27 0.56 -0.17 -0.55 8.46 8.03 2zy1A1 ARG 181 HA -0.68 0.15 0.91 -0.75 4.34 3.96 2zy1A1 ARG 181 HB2 -0.27 0.03 -0.05 -0.04 1.90 1.57 2zy1A1 ARG 181 HB3 -0.94 -0.12 -0.18 -0.04 1.80 0.53 2zy1A1 ARG 181 HG2 -0.42 0.24 -0.42 -0.04 1.67 1.03 2zy1A1 ARG 181 HG3 -0.31 -0.04 -0.09 -0.04 1.67 1.20 2zy1A1 ARG 181 HD2 -1.65 -0.11 -0.06 -0.04 3.22 1.36 2zy1A1 ARG 181 HD3 -1.79 0.03 0.01 -0.04 3.22 1.43 2zy1A1 ILE 182 H -0.40 0.28 0.06 -0.55 8.25 7.65 2zy1A1 ILE 182 HA -0.16 0.14 0.77 -0.75 4.18 4.18 2zy1A1 ILE 182 HB -0.02 0.01 0.06 -0.04 1.89 1.89 2zy1A1 ILE 182 HG12 0.08 0.01 -0.03 -0.04 1.49 1.51 2zy1A1 ILE 182 HG13 0.07 0.08 -0.50 -0.04 1.21 0.82 2zy1A1 ILE 182 HG23 0.01 0.00 -0.12 -0.04 0.93 0.79 2zy1A1 ILE 182 HD13 0.14 -0.02 -0.05 -0.04 0.88 0.90 2zy1A1 TYR 183 H -0.07 0.13 0.08 -0.55 8.29 7.87 2zy1A1 TYR 183 HA 0.10 0.18 0.76 -0.75 4.56 4.84 2zy1A1 TYR 183 HB2 -0.04 0.01 0.01 -0.04 3.06 3.00 2zy1A1 TYR 183 HB3 0.15 -0.03 0.01 -0.04 2.98 3.08 2zy1A1 TYR 183 HD2 0.03 -0.02 -0.07 -0.04 7.15 7.05 2zy1A1 TYR 183 HE2 -0.25 0.05 -0.11 -0.04 6.85 6.50 2zy1A1 PHE 184 H -0.02 0.01 0.00 -0.55 8.34 7.78 2zy1A1 PHE 184 HA -0.07 0.03 0.43 -0.75 4.62 4.26 2zy1A1 PHE 184 HB2 0.13 -0.01 -0.02 -0.04 3.15 3.21 2zy1A1 PHE 184 HB3 0.21 0.00 -0.04 -0.04 3.06 3.19 2zy1A1 PHE 184 HD2 -0.06 -0.02 -0.09 -0.04 7.28 7.08 2zy1A1 PHE 184 HE2 0.00 0.03 -0.07 -0.04 7.38 7.30 2zy1A1 PHE 184 HZ 0.21 0.07 -0.01 -0.04 7.32 7.55 2zy1A1 SER 185 H 0.32 0.02 0.10 -0.55 8.46 8.36 2zy1A1 SER 185 HA 0.22 0.30 0.34 -0.75 4.49 4.60 2zy1A1 SER 185 HB2 0.11 0.02 -0.42 -0.04 3.95 3.62 2zy1A1 SER 185 HB3 0.12 0.06 -0.27 -0.04 3.93 3.79 2zy1A1 LYS 186 H 0.10 0.79 0.23 -0.55 8.42 8.99 2zy1A1 LYS 186 HA 0.09 0.06 0.43 -0.75 4.32 4.14 2zy1A1 LYS 186 HB2 0.05 0.05 0.19 -0.04 1.87 2.11 2zy1A1 LYS 186 HB3 0.04 -0.01 0.03 -0.04 1.79 1.82 2zy1A1 LYS 186 HG2 0.04 -0.02 0.01 -0.04 1.46 1.45 2zy1A1 LYS 186 HG3 0.04 0.14 -0.03 -0.04 1.46 1.57 2zy1A1 LYS 186 HD2 -0.01 0.03 -0.13 -0.04 1.69 1.54 2zy1A1 LYS 186 HD3 0.01 -0.04 -0.07 -0.04 1.68 1.55 2zy1A1 LYS 186 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 2zy1A1 LYS 186 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2zy1A1 GLN 187 H 0.06 0.41 -0.01 -0.55 8.47 8.39 2zy1A1 GLN 187 HA 0.03 0.12 0.51 -0.75 4.36 4.27 2zy1A1 GLN 187 HB2 0.04 0.18 0.25 -0.04 2.15 2.58 2zy1A1 GLN 187 HB3 0.04 -0.22 0.17 -0.04 2.02 1.98 2zy1A1 GLN 187 HG2 0.02 0.06 0.07 -0.04 2.40 2.50 2zy1A1 GLN 187 HG3 0.02 -0.01 0.05 -0.04 2.39 2.41 2zy1A1 GLN 187 HE21 -0.02 0.03 -0.07 -0.04 6.97 6.87 2zy1A1 GLN 187 HE22 -0.00 0.05 -0.03 -0.04 7.69 7.67 2zy1A1 ARG 188 H 0.07 0.03 -0.25 -0.55 8.46 7.76 2zy1A1 ARG 188 HA 0.02 0.10 0.44 -0.75 4.34 4.14 2zy1A1 ARG 188 HB2 0.05 -0.15 0.11 -0.04 1.90 1.87 2zy1A1 ARG 188 HB3 0.04 0.07 0.01 -0.04 1.80 1.88 2zy1A1 ARG 188 HG2 -0.49 0.00 0.02 -0.04 1.67 1.17 2zy1A1 ARG 188 HG3 -0.57 0.06 0.02 -0.04 1.67 1.14 2zy1A1 ARG 188 HD2 -0.50 0.08 0.02 -0.04 3.22 2.78 2zy1A1 ARG 188 HD3 -0.11 -0.02 0.00 -0.04 3.22 3.05 2zy1A1 LEU 189 H 0.11 0.59 -0.16 -0.55 8.37 8.37 2zy1A1 LEU 189 HA 0.13 -0.02 0.35 -0.75 4.35 4.05 2zy1A1 LEU 189 HB2 0.11 0.07 0.14 -0.04 1.64 1.91 2zy1A1 LEU 189 HB3 0.12 0.13 0.03 -0.04 1.64 1.88 2zy1A1 LEU 189 HG 0.25 0.02 -0.18 -0.04 1.64 1.69 2zy1A1 LEU 189 HD13 0.15 -0.02 -0.21 -0.04 0.93 0.82 2zy1A1 LEU 189 HD23 0.31 -0.02 -0.10 -0.04 0.89 1.04 2zy1A1 LYS 190 H 0.06 0.56 -0.18 -0.55 8.42 8.30 2zy1A1 LYS 190 HA 0.02 0.03 0.46 -0.75 4.32 4.08 2zy1A1 LYS 190 HB2 0.03 -0.00 0.13 -0.04 1.87 1.98 2zy1A1 LYS 190 HB3 0.02 0.08 0.20 -0.04 1.79 2.05 2zy1A1 LYS 190 HG2 -0.01 0.02 -0.21 -0.04 1.46 1.22 2zy1A1 LYS 190 HG3 0.00 -0.03 0.04 -0.04 1.46 1.44 2zy1A1 LYS 190 HD2 0.01 -0.01 0.00 -0.04 1.69 1.65 2zy1A1 LYS 190 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.62 2zy1A1 LYS 190 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 2zy1A1 LYS 190 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2zy1A1 GLN 191 H 0.04 0.56 -0.02 -0.55 8.47 8.49 2zy1A1 GLN 191 HA -0.06 0.03 0.40 -0.75 4.36 3.98 2zy1A1 GLN 191 HB2 -0.02 -0.01 0.14 -0.04 2.15 2.22 2zy1A1 GLN 191 HB3 0.07 0.00 0.18 -0.04 2.02 2.23 2zy1A1 GLN 191 HG2 -0.30 0.04 -0.19 -0.04 2.40 1.91 2zy1A1 GLN 191 HG3 -0.12 -0.02 0.04 -0.04 2.39 2.24 2zy1A1 GLN 191 HE21 -0.13 -0.03 -0.02 -0.04 6.97 6.74 2zy1A1 GLN 191 HE22 -0.33 0.03 -0.05 -0.04 7.69 7.29 2zy1A1 TYR 192 H 0.20 0.55 -0.21 -0.55 8.29 8.28 2zy1A1 TYR 192 HA -0.10 0.12 0.60 -0.75 4.56 4.42 2zy1A1 TYR 192 HB2 -0.06 0.07 0.05 -0.04 3.06 3.07 2zy1A1 TYR 192 HB3 -0.03 -0.03 0.06 -0.04 2.98 2.94 2zy1A1 TYR 192 HD2 -0.11 0.08 0.01 -0.04 7.15 7.08 2zy1A1 TYR 192 HE2 -0.28 -0.02 -0.10 -0.04 6.85 6.41 2zy1A1 GLU 193 H -0.02 0.30 -0.57 -0.55 8.60 7.76 2zy1A1 GLU 193 HA -0.05 0.03 0.32 -0.75 4.29 3.84 2zy1A1 GLU 193 HB2 -0.63 0.02 0.12 -0.04 2.09 1.57 2zy1A1 GLU 193 HB3 -0.17 -0.08 0.12 -0.04 1.99 1.82 2zy1A1 GLU 193 HG2 -0.12 0.10 -0.01 -0.04 2.34 2.26 2zy1A1 GLU 193 HG3 -0.23 0.06 -0.39 -0.04 2.34 1.74 2zy1A1 VAL 194 H 0.07 0.62 0.04 -0.55 8.24 8.42 2zy1A1 VAL 194 HA 0.14 0.13 0.84 -0.75 4.13 4.49 2zy1A1 VAL 194 HB 0.18 -0.01 -0.01 -0.04 2.12 2.24 2zy1A1 VAL 194 HG13 0.35 -0.04 -0.28 -0.04 0.97 0.95 2zy1A1 VAL 194 HG23 0.22 0.03 -0.40 -0.04 0.95 0.75 2zy1A1 ASP 195 H 0.10 0.26 0.06 -0.55 8.40 8.27 2zy1A1 ASP 195 HA 0.07 0.21 0.86 -0.75 4.63 5.01 2zy1A1 ASP 195 HB2 0.04 0.13 -0.04 -0.04 2.71 2.80 2zy1A1 ASP 195 HB3 0.03 -0.02 0.17 -0.04 2.70 2.85 2zy1A1 ILE 196 H 0.05 0.25 0.02 -0.55 8.25 8.01 2zy1A1 ILE 196 HA -0.03 0.07 0.37 -0.75 4.18 3.83 2zy1A1 ILE 196 HB -0.09 0.03 0.06 -0.04 1.89 1.85 2zy1A1 ILE 196 HG12 0.14 -0.03 -0.00 -0.04 1.49 1.56 2zy1A1 ILE 196 HG13 0.06 0.03 0.00 -0.04 1.21 1.26 2zy1A1 ILE 196 HG23 -0.30 0.04 -0.10 -0.04 0.93 0.52 2zy1A1 ILE 196 HD13 0.33 0.00 -0.06 -0.04 0.88 1.11 2zy1A1 ALA 197 H -0.17 0.10 -0.15 -0.55 8.40 7.63 2zy1A1 ALA 197 HA -0.97 0.15 0.41 -0.75 4.34 3.17 2zy1A1 ALA 197 HB3 0.09 0.03 0.04 -0.04 1.41 1.53 2zy1A1 GLU 198 H -0.05 0.05 -0.30 -0.55 8.60 7.76 2zy1A1 GLU 198 HA 0.01 0.08 0.38 -0.75 4.29 4.01 2zy1A1 GLU 198 HB2 0.02 -0.04 0.09 -0.04 2.09 2.11 2zy1A1 GLU 198 HB3 0.01 0.06 0.16 -0.04 1.99 2.18 2zy1A1 GLU 198 HG2 0.02 0.02 0.05 -0.04 2.34 2.39 2zy1A1 GLU 198 HG3 0.03 -0.00 0.02 -0.04 2.34 2.34 2zy1A1 VAL 199 H -0.06 0.40 -0.08 -0.55 8.24 7.94 2zy1A1 VAL 199 HA -0.06 0.20 0.43 -0.75 4.13 3.95 2zy1A1 VAL 199 HB -0.17 0.03 0.09 -0.04 2.12 2.03 2zy1A1 VAL 199 HG13 -0.52 0.03 -0.26 -0.04 0.97 0.18 2zy1A1 VAL 199 HG23 0.02 -0.01 0.03 -0.04 0.95 0.95 2zy1A1 TYR 200 H -0.12 0.58 -0.10 -0.55 8.29 8.10 2zy1A1 TYR 200 HA -0.14 -0.04 0.40 -0.75 4.56 4.03 2zy1A1 TYR 200 HB2 -0.51 -0.03 0.11 -0.04 3.06 2.59 2zy1A1 TYR 200 HB3 -0.30 0.08 0.14 -0.04 2.98 2.86 2zy1A1 TYR 200 HD2 0.02 -0.03 -0.04 -0.04 7.15 7.05 2zy1A1 TYR 200 HE2 0.06 0.04 0.00 -0.04 6.85 6.91 2zy1A1 GLN 201 H 0.05 0.33 -0.35 -0.55 8.47 7.96 2zy1A1 GLN 201 HA 0.05 0.04 0.47 -0.75 4.36 4.16 2zy1A1 GLN 201 HB2 0.08 0.14 0.17 -0.04 2.15 2.50 2zy1A1 GLN 201 HB3 0.03 0.03 0.15 -0.04 2.02 2.18 2zy1A1 GLN 201 HG2 0.06 -0.07 0.01 -0.04 2.40 2.36 2zy1A1 GLN 201 HG3 0.04 -0.01 -0.02 -0.04 2.39 2.35 2zy1A1 GLN 201 HE21 0.08 -0.01 0.02 -0.04 6.97 7.01 2zy1A1 GLN 201 HE22 0.04 -0.01 0.03 -0.04 7.69 7.70 2zy1A1 ASN 202 H -0.01 0.59 0.13 -0.55 8.53 8.70 2zy1A1 ASN 202 HA -0.03 0.20 0.92 -0.75 4.76 5.10 2zy1A1 ASN 202 HB2 -0.01 0.04 0.06 -0.04 2.88 2.93 2zy1A1 ASN 202 HB3 -0.01 -0.06 0.12 -0.04 2.79 2.81 2zy1A1 ASN 202 HD21 0.01 -0.05 0.01 -0.04 7.03 6.96 2zy1A1 ASN 202 HD22 0.01 -0.03 0.01 -0.04 7.74 7.69 2zy1A1 GLY 203 H -0.05 0.53 -0.05 -0.55 8.43 8.32 2zy1A1 GLY 203 HA2 -0.04 -0.03 0.34 -0.51 4.01 3.77 2zy1A1 GLY 203 HA3 -0.03 0.19 0.90 -0.51 4.01 4.55 2zy1A1 VAL 204 H -0.04 0.13 0.17 -0.55 8.24 7.95 2zy1A1 VAL 204 HA -0.13 -0.01 0.56 -0.75 4.13 3.80 2zy1A1 VAL 204 HB 0.05 -0.09 0.12 -0.04 2.12 2.16 2zy1A1 VAL 204 HG13 -0.07 0.01 0.04 -0.04 0.97 0.91 2zy1A1 VAL 204 HG23 0.04 0.00 -0.04 -0.04 0.95 0.91 2zy1A1 ASN 205 H 0.09 0.03 0.25 -0.55 8.53 8.35 2zy1A1 ASN 205 HA -0.00 0.26 0.60 -0.75 4.76 4.86 2zy1A1 ASN 205 HB2 -0.02 -0.07 0.22 -0.04 2.88 2.97 2zy1A1 ASN 205 HB3 0.02 0.23 -0.02 -0.04 2.79 2.98 2zy1A1 ASN 205 HD21 0.16 0.03 0.05 -0.04 7.03 7.23 2zy1A1 ASN 205 HD22 0.08 0.10 0.02 -0.04 7.74 7.90 2zy1A1 ASN 206 H -0.08 0.24 0.17 -0.55 8.53 8.31 2zy1A1 ASN 206 HA -0.03 0.12 0.52 -0.75 4.76 4.62 2zy1A1 ASN 206 HB2 -0.18 0.03 0.11 -0.04 2.88 2.80 2zy1A1 ASN 206 HB3 -0.06 0.04 0.06 -0.04 2.79 2.79 2zy1A1 ASN 206 HD21 -0.04 0.05 0.03 -0.04 7.03 7.02 2zy1A1 ASN 206 HD22 -0.09 0.02 0.05 -0.04 7.74 7.68 2zy1A1 HIS 207 H -0.10 0.10 -0.06 -0.55 8.41 7.80 2zy1A1 HIS 207 HA 0.10 0.12 0.46 -0.75 4.63 4.56 2zy1A1 HIS 207 HB2 0.10 -0.15 0.12 -0.04 3.26 3.28 2zy1A1 HIS 207 HB3 0.12 0.29 -0.06 -0.04 3.20 3.51 2zy1A1 HIS 207 HD2 0.04 -0.00 0.10 -0.04 6.97 7.06 2zy1A1 HIS 207 HE1 -0.01 -0.01 0.00 -0.04 7.75 7.69 2zy1A1 TYR 208 H 0.27 0.04 -0.19 -0.55 8.29 7.86 2zy1A1 TYR 208 HA 0.14 0.04 0.33 -0.75 4.56 4.32 2zy1A1 TYR 208 HB2 0.09 0.01 0.09 -0.04 3.06 3.21 2zy1A1 TYR 208 HB3 0.02 -0.06 0.17 -0.04 2.98 3.07 2zy1A1 TYR 208 HD2 0.05 -0.02 -0.12 -0.04 7.15 7.02 2zy1A1 TYR 208 HE2 0.19 0.04 -0.03 -0.04 6.85 7.01 2zy1A1 ILE 209 H 0.06 0.52 -0.08 -0.55 8.25 8.20 2zy1A1 ILE 209 HA -0.42 0.03 0.46 -0.75 4.18 3.50 2zy1A1 ILE 209 HB -0.12 0.04 0.13 -0.04 1.89 1.90 2zy1A1 ILE 209 HG12 -1.16 -0.00 -0.00 -0.04 1.49 0.29 2zy1A1 ILE 209 HG13 -0.15 0.03 0.07 -0.04 1.21 1.12 2zy1A1 ILE 209 HG23 -0.33 -0.00 -0.11 -0.04 0.93 0.44 2zy1A1 ILE 209 HD13 -0.10 0.00 -0.10 -0.04 0.88 0.64 2zy1A1 ASP 210 H 0.05 0.64 -0.17 -0.55 8.40 8.37 2zy1A1 ASP 210 HA 0.09 0.00 0.38 -0.75 4.63 4.35 2zy1A1 ASP 210 HB2 0.29 0.14 0.18 -0.04 2.71 3.28 2zy1A1 ASP 210 HB3 0.33 -0.06 0.03 -0.04 2.70 2.95 2zy1A1 LEU 211 H -0.05 0.51 -0.20 -0.55 8.37 8.08 2zy1A1 LEU 211 HA -1.02 0.01 0.47 -0.75 4.35 3.06 2zy1A1 LEU 211 HB2 -0.33 0.06 0.06 -0.04 1.64 1.38 2zy1A1 LEU 211 HB3 -0.25 0.11 0.14 -0.04 1.64 1.60 2zy1A1 LEU 211 HG -0.63 -0.01 -0.27 -0.04 1.64 0.70 2zy1A1 LEU 211 HD13 -0.81 -0.03 0.01 -0.04 0.93 0.06 2zy1A1 LEU 211 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.70 2zy1A1 TRP 212 H -0.16 0.69 -0.02 -0.55 7.97 7.93 2zy1A1 TRP 212 HA -0.17 -0.02 0.45 -0.75 4.62 4.12 2zy1A1 TRP 212 HB2 -0.54 0.04 0.13 -0.04 3.23 2.82 2zy1A1 TRP 212 HB3 -0.21 0.10 0.18 -0.04 3.23 3.25 2zy1A1 TRP 212 HD1 0.39 -0.04 0.05 -0.04 7.22 7.58 2zy1A1 TRP 212 HE1 0.26 0.49 0.14 -0.04 10.20 11.05 2zy1A1 TRP 212 HE3 0.21 0.06 -0.36 -0.04 7.59 7.45 2zy1A1 TRP 212 HZ2 0.09 0.06 -0.07 -0.04 7.44 7.48 2zy1A1 TRP 212 HZ3 0.15 -0.01 -0.06 -0.04 7.13 7.17 2zy1A1 TRP 212 HH2 0.03 0.01 0.07 -0.04 7.19 7.26 2zy1A1 GLU 213 H 0.20 0.75 -0.12 -0.55 8.60 8.88 2zy1A1 GLU 213 HA 0.31 -0.02 0.40 -0.75 4.29 4.22 2zy1A1 GLU 213 HB2 0.14 0.11 0.12 -0.04 2.09 2.42 2zy1A1 GLU 213 HB3 0.16 -0.06 0.03 -0.04 1.99 2.08 2zy1A1 GLU 213 HG2 0.34 0.11 0.06 -0.04 2.34 2.81 2zy1A1 GLU 213 HG3 0.20 -0.02 -0.02 -0.04 2.34 2.45 2zy1A1 TYR 214 H -0.04 0.44 -0.34 -0.55 8.29 7.79 2zy1A1 TYR 214 HA -0.11 0.01 0.46 -0.75 4.56 4.17 2zy1A1 TYR 214 HB2 -0.32 0.07 0.16 -0.04 3.06 2.92 2zy1A1 TYR 214 HB3 -0.70 0.19 0.24 -0.04 2.98 2.67 2zy1A1 TYR 214 HD2 -0.65 0.03 -0.03 -0.04 7.15 6.46 2zy1A1 TYR 214 HE2 -0.14 -0.04 -0.01 -0.04 6.85 6.62 2zy1A1 TYR 215 H -0.25 0.50 -0.07 -0.55 8.29 7.91 2zy1A1 TYR 215 HA -0.25 -0.01 0.51 -0.75 4.56 4.07 2zy1A1 TYR 215 HB2 -0.40 0.16 0.15 -0.04 3.06 2.93 2zy1A1 TYR 215 HB3 -0.16 -0.04 0.01 -0.04 2.98 2.75 2zy1A1 TYR 215 HD2 -0.41 0.05 0.02 -0.04 7.15 6.77 2zy1A1 TYR 215 HE2 -0.39 -0.05 0.00 -0.04 6.85 6.37 2zy1A1 ALA 216 H -0.31 0.64 -0.04 -0.55 8.40 8.15 2zy1A1 ALA 216 HA -0.28 -0.00 0.45 -0.75 4.34 3.76 2zy1A1 ALA 216 HB3 -0.40 0.03 0.08 -0.04 1.41 1.07 2zy1A1 ALA 217 H -0.13 0.57 -0.30 -0.55 8.40 7.98 2zy1A1 ALA 217 HA -0.03 0.01 0.36 -0.75 4.34 3.92 2zy1A1 ALA 217 HB3 -0.08 0.04 0.10 -0.04 1.41 1.43 2zy1A1 ILE 218 H -0.19 0.35 -0.25 -0.55 8.25 7.61 2zy1A1 ILE 218 HA -0.12 0.02 0.46 -0.75 4.18 3.80 2zy1A1 ILE 218 HB -0.06 0.18 0.22 -0.04 1.89 2.18 2zy1A1 ILE 218 HG12 -0.20 -0.04 0.05 -0.04 1.49 1.26 2zy1A1 ILE 218 HG13 -0.44 0.15 0.11 -0.04 1.21 1.00 2zy1A1 ILE 218 HG23 -0.16 -0.02 -0.12 -0.04 0.93 0.59 2zy1A1 ILE 218 HD13 -0.09 -0.03 0.00 -0.04 0.88 0.72 2zy1A1 ALA 219 H -0.05 0.57 -0.05 -0.55 8.40 8.32 2zy1A1 ALA 219 HA 0.01 -0.02 0.42 -0.75 4.34 4.00 2zy1A1 ALA 219 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 2zy1A1 GLU 220 H -0.02 0.62 -0.18 -0.55 8.60 8.48 2zy1A1 GLU 220 HA 0.08 0.02 0.45 -0.75 4.29 4.08 2zy1A1 GLU 220 HB2 0.01 0.10 0.15 -0.04 2.09 2.30 2zy1A1 GLU 220 HB3 0.05 -0.05 0.00 -0.04 1.99 1.96 2zy1A1 GLU 220 HG2 -0.04 -0.04 0.02 -0.04 2.34 2.24 2zy1A1 GLU 220 HG3 -0.03 0.05 0.06 -0.04 2.34 2.38 2zy1A1 LYS 221 H 0.01 0.57 -0.16 -0.55 8.42 8.28 2zy1A1 LYS 221 HA 0.04 0.02 0.43 -0.75 4.32 4.06 2zy1A1 LYS 221 HB2 -0.01 0.04 0.14 -0.04 1.87 2.00 2zy1A1 LYS 221 HB3 -0.03 0.11 0.22 -0.04 1.79 2.05 2zy1A1 LYS 221 HG2 -0.01 -0.02 -0.25 -0.04 1.46 1.14 2zy1A1 LYS 221 HG3 0.00 -0.04 0.03 -0.04 1.46 1.41 2zy1A1 LYS 221 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.64 2zy1A1 LYS 221 HD3 -0.04 -0.01 -0.01 -0.04 1.68 1.59 2zy1A1 LYS 221 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2zy1A1 LYS 221 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.87 2zy1A1 ASP 222 H 0.02 0.59 -0.07 -0.55 8.40 8.39 2zy1A1 ASP 222 HA -0.00 -0.01 0.42 -0.75 4.63 4.29 2zy1A1 ASP 222 HB2 0.03 0.12 0.16 -0.04 2.71 2.97 2zy1A1 ASP 222 HB3 0.02 -0.01 -0.02 -0.04 2.70 2.64 2zy1A1 PHE 223 H 0.20 0.54 -0.25 -0.55 8.34 8.27 2zy1A1 PHE 223 HA 0.03 -0.02 0.40 -0.75 4.62 4.27 2zy1A1 PHE 223 HB2 0.04 -0.01 0.09 -0.04 3.15 3.23 2zy1A1 PHE 223 HB3 0.03 0.16 0.21 -0.04 3.06 3.41 2zy1A1 PHE 223 HD2 0.05 0.04 -0.07 -0.04 7.28 7.26 2zy1A1 PHE 223 HE2 0.05 -0.03 -0.17 -0.04 7.38 7.18 2zy1A1 PHE 223 HZ 0.05 0.01 -0.07 -0.04 7.32 7.27 2zy1A1 ARG 224 H 0.15 0.53 -0.17 -0.55 8.46 8.42 2zy1A1 ARG 224 HA -0.21 0.01 0.45 -0.75 4.34 3.84 2zy1A1 ARG 224 HB2 0.05 0.12 0.18 -0.04 1.90 2.20 2zy1A1 ARG 224 HB3 0.01 -0.05 0.01 -0.04 1.80 1.72 2zy1A1 ARG 224 HG2 0.15 -0.04 0.02 -0.04 1.67 1.76 2zy1A1 ARG 224 HG3 0.24 0.16 0.06 -0.04 1.67 2.09 2zy1A1 ARG 224 HD2 0.06 -0.02 -0.01 -0.04 3.22 3.21 2zy1A1 ARG 224 HD3 0.10 -0.02 -0.02 -0.04 3.22 3.23 2zy1A1 ASP 225 H -0.02 0.54 -0.11 -0.55 8.40 8.26 2zy1A1 ASP 225 HA -0.04 0.02 0.42 -0.75 4.63 4.28 2zy1A1 ASP 225 HB2 -0.02 0.09 0.12 -0.04 2.71 2.86 2zy1A1 ASP 225 HB3 -0.03 -0.06 -0.00 -0.04 2.70 2.57 2zy1A1 VAL 226 H -0.08 0.55 -0.23 -0.55 8.24 7.94 2zy1A1 VAL 226 HA -0.02 0.00 0.47 -0.75 4.13 3.83 2zy1A1 VAL 226 HB -0.10 0.14 0.14 -0.04 2.12 2.26 2zy1A1 VAL 226 HG13 0.05 -0.02 -0.19 -0.04 0.97 0.77 2zy1A1 VAL 226 HG23 0.02 0.02 -0.03 -0.04 0.95 0.93 2zy1A1 MET 227 H -0.32 0.63 -0.03 -0.55 8.47 8.20 2zy1A1 MET 227 HA -0.10 -0.01 0.38 -0.75 4.52 4.02 2zy1A1 MET 227 HB2 -0.27 0.11 0.14 -0.04 2.15 2.09 2zy1A1 MET 227 HB3 -0.14 -0.04 0.03 -0.04 2.03 1.85 2zy1A1 MET 227 HG2 -1.18 0.24 0.07 -0.04 2.63 1.72 2zy1A1 MET 227 HG3 -0.59 -0.04 -0.00 -0.04 2.56 1.88 2zy1A1 MET 227 HE3 -0.15 -0.03 -0.12 -0.04 2.10 1.76 2zy1A1 ASP 228 H -0.09 0.42 -0.48 -0.55 8.40 7.71 2zy1A1 ASP 228 HA -0.04 0.01 0.38 -0.75 4.63 4.22 2zy1A1 ASP 228 HB2 -0.05 0.20 0.15 -0.04 2.71 2.97 2zy1A1 ASP 228 HB3 -0.03 -0.08 0.03 -0.04 2.70 2.56 2zy1A1 GLN 229 H -0.04 0.44 -0.36 -0.55 8.47 7.95 2zy1A1 GLN 229 HA -0.05 0.13 0.85 -0.75 4.36 4.53 2zy1A1 GLN 229 HB2 -0.06 0.07 0.13 -0.04 2.15 2.25 2zy1A1 GLN 229 HB3 -0.10 -0.13 0.17 -0.04 2.02 1.92 2zy1A1 GLN 229 HG2 -0.05 -0.02 -0.08 -0.04 2.40 2.20 2zy1A1 GLN 229 HG3 -0.05 0.17 -0.06 -0.04 2.39 2.41 2zy1A1 GLN 229 HE21 -0.04 -0.09 -0.07 -0.04 6.97 6.74 2zy1A1 GLN 229 HE22 -0.04 0.21 -0.07 -0.04 7.69 7.75 2zy1A1 ILE 230 H 0.00 0.47 -0.29 -0.55 8.25 7.89 2zy1A1 ILE 230 HA 0.20 0.02 0.26 -0.75 4.18 3.90 2zy1A1 ILE 230 HB 0.07 0.15 0.16 -0.04 1.89 2.23 2zy1A1 ILE 230 HG12 0.17 0.03 -0.00 -0.04 1.49 1.64 2zy1A1 ILE 230 HG13 0.26 -0.08 0.10 -0.04 1.21 1.45 2zy1A1 ILE 230 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.85 2zy1A1 ILE 230 HD13 0.11 -0.02 -0.05 -0.04 0.88 0.88 2zy1A1 LYS 231 H -0.01 0.12 -0.43 -0.55 8.42 7.55 2zy1A1 LYS 231 HA 0.04 0.16 0.42 -0.75 4.32 4.19 2zy1A1 LYS 231 HB2 -0.03 0.01 0.02 -0.04 1.87 1.83 2zy1A1 LYS 231 HB3 -0.01 -0.01 0.09 -0.04 1.79 1.82 2zy1A1 LYS 231 HG2 0.03 0.03 -0.02 -0.04 1.46 1.46 2zy1A1 LYS 231 HG3 0.01 -0.02 -0.03 -0.04 1.46 1.38 2zy1A1 LYS 231 HD2 -0.02 0.02 0.01 -0.04 1.69 1.65 2zy1A1 LYS 231 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 2zy1A1 LYS 231 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.92 2zy1A1 LYS 231 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 2zy1A1 VAL 232 H -0.21 0.47 -0.38 -0.55 8.24 7.57 2zy1A1 VAL 232 HA -0.17 0.01 0.43 -0.75 4.13 3.65 2zy1A1 VAL 232 HB -0.41 -0.18 0.00 -0.04 2.12 1.49 2zy1A1 VAL 232 HG13 -0.22 0.00 -0.05 -0.04 0.97 0.66 2zy1A1 VAL 232 HG23 -1.07 0.09 -0.07 -0.04 0.95 -0.14 2zy1A1 PHE 233 H -0.13 0.42 -0.26 -0.55 8.34 7.82 2zy1A1 PHE 233 HA -0.06 0.04 0.66 -0.75 4.62 4.51 2zy1A1 PHE 233 HB2 -0.02 0.11 0.06 -0.04 3.15 3.26 2zy1A1 PHE 233 HB3 -0.03 0.05 0.12 -0.04 3.06 3.15 2zy1A1 PHE 233 HD2 -0.05 0.11 -0.05 -0.04 7.28 7.25 2zy1A1 PHE 233 HE2 -0.08 -0.00 -0.11 -0.04 7.38 7.15 2zy1A1 PHE 233 HZ -0.06 -0.07 -0.16 -0.04 7.32 6.98 2zy1A1 SER 234 H 0.13 0.60 0.41 -0.55 8.46 9.05 2zy1A1 SER 234 HA 0.02 0.05 0.46 -0.75 4.49 4.27 2zy1A1 SER 234 HB2 -0.01 -0.03 0.11 -0.04 3.95 3.98 2zy1A1 SER 234 HB3 -0.01 0.05 -0.01 -0.04 3.93 3.92 2zy1A1 ILE 235 H 0.03 0.13 0.20 -0.55 8.25 8.06 2zy1A1 ILE 235 HA 0.07 0.15 0.42 -0.75 4.18 4.07 2zy1A1 ILE 235 HB 0.04 0.04 0.17 -0.04 1.89 2.10 2zy1A1 ILE 235 HG12 0.06 0.02 -0.13 -0.04 1.49 1.40 2zy1A1 ILE 235 HG13 0.08 0.03 0.08 -0.04 1.21 1.37 2zy1A1 ILE 235 HG23 0.02 -0.00 0.07 -0.04 0.93 0.97 2zy1A1 ILE 235 HD13 0.04 0.00 0.02 -0.04 0.88 0.90 2zy1A1 GLU 236 H 0.00 0.02 -0.16 -0.55 8.60 7.91 2zy1A1 GLU 236 HA -0.02 0.13 0.44 -0.75 4.29 4.09 2zy1A1 GLU 236 HB2 -0.03 0.01 -0.01 -0.04 2.09 2.01 2zy1A1 GLU 236 HB3 -0.03 0.07 0.08 -0.04 1.99 2.06 2zy1A1 GLU 236 HG2 -0.03 0.03 0.05 -0.04 2.34 2.35 2zy1A1 GLU 236 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 2zy1A1 ALA 237 H -0.00 0.05 -0.26 -0.55 8.40 7.63 2zy1A1 ALA 237 HA -0.05 0.08 0.52 -0.75 4.34 4.14 2zy1A1 ALA 237 HB3 -0.04 0.02 0.09 -0.04 1.41 1.44 2zy1A1 GLN 238 H 0.03 0.52 -0.22 -0.55 8.47 8.25 2zy1A1 GLN 238 HA 0.04 -0.03 0.35 -0.75 4.36 3.97 2zy1A1 GLN 238 HB2 0.12 0.16 0.08 -0.04 2.15 2.47 2zy1A1 GLN 238 HB3 0.25 -0.07 -0.09 -0.04 2.02 2.06 2zy1A1 GLN 238 HG2 0.20 0.10 -0.08 -0.04 2.40 2.58 2zy1A1 GLN 238 HG3 0.15 0.16 -0.17 -0.04 2.39 2.50 2zy1A1 GLN 238 HE21 0.07 -0.13 -0.03 -0.04 6.97 6.84 2zy1A1 GLN 238 HE22 0.09 0.62 -0.17 -0.04 7.69 8.19 2zy1A1 PRO 239 HA -0.54 0.05 0.48 -0.51 4.44 3.91 2zy1A1 PRO 239 HB2 -0.33 0.02 -0.09 -0.04 2.28 1.85 2zy1A1 PRO 239 HB3 -1.51 0.05 0.03 -0.04 2.02 0.55 2zy1A1 PRO 239 HG2 -0.20 0.06 -0.01 -0.04 2.03 1.84 2zy1A1 PRO 239 HG3 -0.28 0.05 0.04 -0.04 2.03 1.79 2zy1A1 PRO 239 HD2 -0.16 0.17 -0.30 -0.04 3.68 3.36 2zy1A1 PRO 239 HD3 -0.43 0.12 0.08 -0.04 3.65 3.38 2zy1A1 ILE 240 H -0.17 0.32 -0.38 -0.55 8.25 7.47 2zy1A1 ILE 240 HA -0.17 0.06 0.43 -0.75 4.18 3.75 2zy1A1 ILE 240 HB -0.11 0.13 0.14 -0.04 1.89 2.01 2zy1A1 ILE 240 HG12 -0.08 -0.03 -0.15 -0.04 1.49 1.19 2zy1A1 ILE 240 HG13 -0.15 0.06 -0.02 -0.04 1.21 1.06 2zy1A1 ILE 240 HG23 -0.25 -0.02 -0.31 -0.04 0.93 0.31 2zy1A1 ILE 240 HD13 -0.08 0.07 -0.05 -0.04 0.88 0.78 2zy1A1 ILE 241 H -0.15 0.69 -0.02 -0.55 8.25 8.22 2zy1A1 ILE 241 HA -0.22 -0.02 0.43 -0.75 4.18 3.62 2zy1A1 ILE 241 HB -0.19 0.14 0.09 -0.04 1.89 1.90 2zy1A1 ILE 241 HG12 -0.22 -0.06 -0.02 -0.04 1.49 1.14 2zy1A1 ILE 241 HG13 -0.17 0.06 0.01 -0.04 1.21 1.06 2zy1A1 ILE 241 HG23 -0.22 -0.02 -0.14 -0.04 0.93 0.51 2zy1A1 ILE 241 HD13 -1.04 -0.01 -0.09 -0.04 0.88 -0.30 2zy1A1 GLU 242 H -0.06 0.63 -0.15 -0.55 8.60 8.47 2zy1A1 GLU 242 HA 0.05 -0.02 0.36 -0.75 4.29 3.93 2zy1A1 GLU 242 HB2 0.08 0.13 0.12 -0.04 2.09 2.38 2zy1A1 GLU 242 HB3 0.05 0.11 0.09 -0.04 1.99 2.19 2zy1A1 GLU 242 HG2 0.14 -0.05 -0.06 -0.04 2.34 2.33 2zy1A1 GLU 242 HG3 0.08 -0.05 0.05 -0.04 2.34 2.39 2zy1A1 LEU 243 H -0.05 0.53 -0.35 -0.55 8.37 7.95 2zy1A1 LEU 243 HA 0.07 -0.01 0.36 -0.75 4.35 4.01 2zy1A1 LEU 243 HB2 0.04 0.11 0.11 -0.04 1.64 1.85 2zy1A1 LEU 243 HB3 -0.10 0.12 0.19 -0.04 1.64 1.81 2zy1A1 LEU 243 HG 0.02 -0.06 -0.23 -0.04 1.64 1.33 2zy1A1 LEU 243 HD13 0.14 -0.00 -0.11 -0.04 0.93 0.92 2zy1A1 LEU 243 HD23 -0.17 0.01 -0.04 -0.04 0.89 0.65 2zy1A1 ALA 244 H -0.15 0.70 -0.05 -0.55 8.40 8.35 2zy1A1 ALA 244 HA 0.03 0.00 0.37 -0.75 4.34 3.98 2zy1A1 ALA 244 HB3 -0.22 0.00 0.07 -0.04 1.41 1.23 2zy1A1 ALA 245 H 0.08 0.68 -0.18 -0.55 8.40 8.44 2zy1A1 ALA 245 HA 0.25 -0.03 0.42 -0.75 4.34 4.23 2zy1A1 ALA 245 HB3 0.31 0.02 0.06 -0.04 1.41 1.77 2zy1A1 ARG 246 H 0.19 0.71 -0.12 -0.55 8.46 8.68 2zy1A1 ARG 246 HA 0.02 -0.01 0.41 -0.75 4.34 4.00 2zy1A1 ARG 246 HB2 0.13 0.19 0.16 -0.04 1.90 2.34 2zy1A1 ARG 246 HB3 0.08 -0.07 -0.09 -0.04 1.80 1.67 2zy1A1 ARG 246 HG2 0.34 0.04 0.03 -0.04 1.67 2.04 2zy1A1 ARG 246 HG3 0.17 -0.00 -0.02 -0.04 1.67 1.77 2zy1A1 ARG 246 HD2 -0.00 -0.06 0.03 -0.04 3.22 3.15 2zy1A1 ARG 246 HD3 0.33 0.01 -0.02 -0.04 3.22 3.49 2zy1A1 ILE 247 H 0.07 0.73 -0.10 -0.55 8.25 8.41 2zy1A1 ILE 247 HA -0.02 -0.00 0.43 -0.75 4.18 3.83 2zy1A1 ILE 247 HB 0.03 0.16 0.12 -0.04 1.89 2.16 2zy1A1 ILE 247 HG12 -0.08 -0.11 0.05 -0.04 1.49 1.31 2zy1A1 ILE 247 HG13 0.01 0.12 0.06 -0.04 1.21 1.36 2zy1A1 ILE 247 HG23 -0.07 -0.04 -0.13 -0.04 0.93 0.66 2zy1A1 ILE 247 HD13 -0.07 -0.00 -0.06 -0.04 0.88 0.70 2zy1A1 TYR 248 H 0.19 0.52 -0.25 -0.55 8.29 8.20 2zy1A1 TYR 248 HA -0.07 0.01 0.44 -0.75 4.56 4.18 2zy1A1 TYR 248 HB2 0.11 0.22 0.15 -0.04 3.06 3.49 2zy1A1 TYR 248 HB3 0.09 0.03 0.04 -0.04 2.98 3.09 2zy1A1 TYR 248 HD2 -0.17 -0.03 -0.02 -0.04 7.15 6.89 2zy1A1 TYR 248 HE2 -0.16 0.04 0.02 -0.04 6.85 6.71 2zy1A1 ILE 249 H 0.03 0.71 -0.06 -0.55 8.25 8.38 2zy1A1 ILE 249 HA -0.05 0.02 0.39 -0.75 4.18 3.80 2zy1A1 ILE 249 HB -0.27 0.07 0.09 -0.04 1.89 1.74 2zy1A1 ILE 249 HG12 -0.23 -0.05 0.05 -0.04 1.49 1.22 2zy1A1 ILE 249 HG13 -0.11 -0.06 0.09 -0.04 1.21 1.09 2zy1A1 ILE 249 HG23 -0.65 0.02 -0.01 -0.04 0.93 0.24 2zy1A1 ILE 249 HD13 -0.38 0.00 -0.05 -0.04 0.88 0.42 2zy1A1 GLU 250 H -0.07 0.41 -0.59 -0.55 8.60 7.80 2zy1A1 GLU 250 HA -0.07 -0.02 0.41 -0.75 4.29 3.85 2zy1A1 GLU 250 HB2 -0.06 0.19 0.12 -0.04 2.09 2.31 2zy1A1 GLU 250 HB3 -0.08 0.17 0.05 -0.04 1.99 2.09 2zy1A1 GLU 250 HG2 -0.06 -0.02 -0.02 -0.04 2.34 2.20 2zy1A1 GLU 250 HG3 -0.08 -0.09 -0.03 -0.04 2.34 2.09 2zy1A1 ILE 251 H -0.12 0.55 -0.40 -0.55 8.25 7.73 2zy1A1 ILE 251 HA -0.10 -0.04 0.34 -0.75 4.18 3.62 2zy1A1 ILE 251 HB -0.19 0.19 0.07 -0.04 1.89 1.92 2zy1A1 ILE 251 HG12 -0.19 -0.10 -0.01 -0.04 1.49 1.15 2zy1A1 ILE 251 HG13 -0.25 0.07 0.11 -0.04 1.21 1.10 2zy1A1 ILE 251 HG23 -0.05 -0.01 -0.19 -0.04 0.93 0.64 2zy1A1 ILE 251 HD13 -0.80 -0.01 0.03 -0.04 0.88 0.06 2zy1A1 LEU 252 H -0.01 0.48 -0.34 -0.55 8.37 7.96 2zy1A1 LEU 252 HA 0.36 0.05 0.39 -0.75 4.35 4.39 2zy1A1 LEU 252 HB2 0.06 0.12 0.13 -0.04 1.64 1.91 2zy1A1 LEU 252 HB3 0.26 -0.05 0.02 -0.04 1.64 1.83 2zy1A1 LEU 252 HG -0.00 0.06 0.09 -0.04 1.64 1.75 2zy1A1 LEU 252 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.85 2zy1A1 LEU 252 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.77 2zy1A1 ASP 253 H 0.00 0.27 -0.12 -0.55 8.40 8.00 2zy1A1 ASP 253 HA -0.02 0.03 0.49 -0.75 4.63 4.38 2zy1A1 ASP 253 HB2 -0.04 0.09 0.16 -0.04 2.71 2.89 2zy1A1 ASP 253 HB3 -0.05 -0.01 0.01 -0.04 2.70 2.61 2zy1A1 GLU 254 H -0.07 0.52 -0.18 -0.55 8.60 8.33 2zy1A1 GLU 254 HA -0.13 0.01 0.43 -0.75 4.29 3.84 2zy1A1 GLU 254 HB2 -0.10 0.13 0.03 -0.04 2.09 2.11 2zy1A1 GLU 254 HB3 -0.17 -0.07 0.00 -0.04 1.99 1.70 2zy1A1 GLU 254 HG2 -0.12 0.13 -0.03 -0.04 2.34 2.28 2zy1A1 GLU 254 HG3 -0.16 -0.08 -0.31 -0.04 2.34 1.75 2zy1A1 VAL 255 H -0.04 0.52 -0.30 -0.55 8.24 7.88 2zy1A1 VAL 255 HA -0.14 0.03 0.43 -0.75 4.13 3.69 2zy1A1 VAL 255 HB 0.04 0.13 0.18 -0.04 2.12 2.42 2zy1A1 VAL 255 HG13 -0.60 -0.02 -0.12 -0.04 0.97 0.18 2zy1A1 VAL 255 HG23 0.21 0.06 -0.01 -0.04 0.95 1.17 2zy1A1 ARG 256 H -0.28 0.49 -0.10 -0.55 8.46 8.01 2zy1A1 ARG 256 HA -1.20 -0.03 0.41 -0.75 4.34 2.77 2zy1A1 ARG 256 HB2 -0.18 0.12 0.22 -0.04 1.90 2.02 2zy1A1 ARG 256 HB3 -0.23 -0.04 0.01 -0.04 1.80 1.51 2zy1A1 ARG 256 HG2 -0.30 -0.05 0.03 -0.04 1.67 1.30 2zy1A1 ARG 256 HG3 -0.23 0.13 0.07 -0.04 1.67 1.59 2zy1A1 ARG 256 HD2 0.04 -0.02 -0.04 -0.04 3.22 3.16 2zy1A1 ARG 256 HD3 0.05 -0.02 -0.01 -0.04 3.22 3.20 2zy1A1 GLN 257 H -0.19 0.71 -0.05 -0.55 8.47 8.38 2zy1A1 GLN 257 HA -0.13 0.03 0.47 -0.75 4.36 3.97 2zy1A1 GLN 257 HB2 -0.13 0.07 0.08 -0.04 2.15 2.13 2zy1A1 GLN 257 HB3 -0.10 -0.05 0.09 -0.04 2.02 1.92 2zy1A1 GLN 257 HG2 -0.08 -0.05 0.04 -0.04 2.40 2.26 2zy1A1 GLN 257 HG3 -0.11 0.30 0.09 -0.04 2.39 2.63 2zy1A1 GLN 257 HE21 -0.07 -0.04 -0.05 -0.04 6.97 6.77 2zy1A1 GLN 257 HE22 -0.06 -0.01 -0.06 -0.04 7.69 7.51 2zy1A1 ALA 258 H -0.21 0.37 -0.50 -0.55 8.40 7.51 2zy1A1 ALA 258 HA -0.09 0.14 0.78 -0.75 4.34 4.41 2zy1A1 ALA 258 HB3 -0.09 -0.01 0.14 -0.04 1.41 1.40 2zy1A1 ASN 259 H -0.22 0.44 -0.44 -0.55 8.53 7.77 2zy1A1 ASN 259 HA -0.10 0.09 0.35 -0.75 4.76 4.33 2zy1A1 ASN 259 HB2 -0.02 0.11 -0.19 -0.04 2.88 2.74 2zy1A1 ASN 259 HB3 0.04 -0.07 0.20 -0.04 2.79 2.92 2zy1A1 ASN 259 HD21 -0.03 -0.01 -0.03 -0.04 7.03 6.92 2zy1A1 ASN 259 HD22 -0.03 0.00 -0.13 -0.04 7.74 7.54 2zy1A1 TYR 260 H -0.52 0.57 -0.06 -0.55 8.29 7.73 2zy1A1 TYR 260 HA -0.30 0.03 0.22 -0.75 4.56 3.75 2zy1A1 TYR 260 HB2 -0.07 0.12 -0.00 -0.04 3.06 3.06 2zy1A1 TYR 260 HB3 -0.09 -0.06 0.13 -0.04 2.98 2.92 2zy1A1 TYR 260 HD2 -0.93 0.04 -0.22 -0.04 7.15 6.00 2zy1A1 TYR 260 HE2 -0.47 -0.00 -0.04 -0.04 6.85 6.31 2zy1A1 THR 261 H -0.06 0.24 -0.36 -0.55 8.28 7.56 2zy1A1 THR 261 HA 0.01 0.03 0.28 -0.75 4.39 3.95 2zy1A1 THR 261 HB -0.00 0.24 0.15 -0.04 4.32 4.67 2zy1A1 THR 261 HG23 -0.01 0.01 0.05 -0.04 1.22 1.23 2zy1A1 LEU 262 H -0.05 0.18 0.21 -0.55 8.37 8.17 2zy1A1 LEU 262 HA -0.03 0.12 0.90 -0.75 4.35 4.58 2zy1A1 LEU 262 HB2 -0.30 0.09 0.13 -0.04 1.64 1.52 2zy1A1 LEU 262 HB3 -0.16 -0.02 0.22 -0.04 1.64 1.65 2zy1A1 LEU 262 HG -0.00 -0.09 0.01 -0.04 1.64 1.52 2zy1A1 LEU 262 HD13 -0.29 0.06 -0.09 -0.04 0.93 0.56 2zy1A1 LEU 262 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 2zy1A1 HIS 263 H 0.00 0.01 -0.19 -0.55 8.41 7.68 2zy1A1 HIS 263 HA 0.04 0.29 1.07 -0.75 4.63 5.28 2zy1A1 HIS 263 HB2 -0.06 -0.02 0.05 -0.04 3.26 3.19 2zy1A1 HIS 263 HB3 -0.05 0.02 0.14 -0.04 3.20 3.27 2zy1A1 HIS 263 HD2 -0.17 -0.10 0.01 -0.04 6.97 6.66 2zy1A1 HIS 263 HE1 -1.54 -0.01 -0.00 -0.04 7.75 6.16 2zy1A1 GLU 264 H 0.04 0.29 -0.05 -0.55 8.60 8.34 2zy1A1 GLU 264 HA 0.06 0.18 0.66 -0.75 4.29 4.44 2zy1A1 GLU 264 HB2 0.05 -0.03 -0.17 -0.04 2.09 1.90 2zy1A1 GLU 264 HB3 0.06 0.03 -0.01 -0.04 1.99 2.03 2zy1A1 GLU 264 HG2 0.05 0.14 -0.09 -0.04 2.34 2.40 2zy1A1 GLU 264 HG3 0.06 -0.13 -0.39 -0.04 2.34 1.84 2zy1A1 ARG 265 H 0.06 0.17 0.09 -0.55 8.46 8.23 2zy1A1 ARG 265 HA 0.07 0.20 0.81 -0.75 4.34 4.67 2zy1A1 ARG 265 HB2 0.05 -0.02 0.05 -0.04 1.90 1.94 2zy1A1 ARG 265 HB3 0.05 -0.04 0.16 -0.04 1.80 1.93 2zy1A1 ARG 265 HG2 0.07 0.24 -0.17 -0.04 1.67 1.77 2zy1A1 ARG 265 HG3 0.06 0.00 0.02 -0.04 1.67 1.71 2zy1A1 ARG 265 HD2 0.02 -0.04 -0.00 -0.04 3.22 3.16 2zy1A1 ARG 265 HD3 0.04 -0.01 -0.00 -0.04 3.22 3.20 2zy1A1 VAL 266 H 0.05 0.20 0.11 -0.55 8.24 8.05 2zy1A1 VAL 266 HA 0.08 0.07 0.48 -0.75 4.13 4.02 2zy1A1 VAL 266 HB -0.11 -0.03 0.02 -0.04 2.12 1.95 2zy1A1 VAL 266 HG13 -0.03 0.04 -0.03 -0.04 0.97 0.91 2zy1A1 VAL 266 HG23 -0.01 -0.00 -0.15 -0.04 0.95 0.74 2zy1A1 PHE 267 H -0.37 0.25 0.18 -0.55 8.34 7.84 2zy1A1 PHE 267 HA -0.08 0.12 0.55 -0.75 4.62 4.45 2zy1A1 PHE 267 HB2 -0.06 -0.02 -0.01 -0.04 3.15 3.01 2zy1A1 PHE 267 HB3 -0.05 0.19 -0.27 -0.04 3.06 2.89 2zy1A1 PHE 267 HD2 -0.04 0.10 -0.35 -0.04 7.28 6.94 2zy1A1 PHE 267 HE2 -0.03 -0.04 -0.04 -0.04 7.38 7.23 2zy1A1 PHE 267 HZ -0.03 0.00 -0.01 -0.04 7.32 7.24 2zy1A1 VAL 268 H 0.02 0.21 0.08 -0.55 8.24 7.99 2zy1A1 VAL 268 HA -0.18 0.10 0.73 -0.75 4.13 4.03 2zy1A1 VAL 268 HB -0.07 -0.01 0.12 -0.04 2.12 2.12 2zy1A1 VAL 268 HG13 -0.09 0.02 -0.10 -0.04 0.97 0.77 2zy1A1 VAL 268 HG23 -0.11 0.06 -0.14 -0.04 0.95 0.72 2zy1A1 GLU 269 H -0.14 0.17 0.10 -0.55 8.60 8.18 2zy1A1 GLU 269 HA 0.28 0.15 0.39 -0.75 4.29 4.36 2zy1A1 GLU 269 HB2 0.11 -0.06 0.12 -0.04 2.09 2.22 2zy1A1 GLU 269 HB3 0.20 0.14 0.10 -0.04 1.99 2.39 2zy1A1 GLU 269 HG2 -0.07 0.06 0.13 -0.04 2.34 2.42 2zy1A1 GLU 269 HG3 -0.01 -0.30 -0.03 -0.04 2.34 1.96 2zy1A1 LYS 270 H 0.05 0.21 0.17 -0.55 8.42 8.30 2zy1A1 LYS 270 HA -0.13 0.12 0.40 -0.75 4.32 3.95 2zy1A1 LYS 270 HB2 0.01 0.06 0.16 -0.04 1.87 2.06 2zy1A1 LYS 270 HB3 0.02 -0.01 0.09 -0.04 1.79 1.86 2zy1A1 LYS 270 HG2 0.09 -0.01 -0.10 -0.04 1.46 1.40 2zy1A1 LYS 270 HG3 0.04 0.02 0.07 -0.04 1.46 1.55 2zy1A1 LYS 270 HD2 0.06 0.02 0.02 -0.04 1.69 1.74 2zy1A1 LYS 270 HD3 0.07 0.00 -0.01 -0.04 1.68 1.69 2zy1A1 LYS 270 HE2 0.20 0.00 -0.02 -0.04 2.99 3.12 2zy1A1 LYS 270 HE3 0.26 0.02 -0.01 -0.04 2.99 3.22 2zy1A1 ARG 271 H 0.01 0.09 -0.22 -0.55 8.46 7.79 2zy1A1 ARG 271 HA 0.02 0.12 0.38 -0.75 4.34 4.10 2zy1A1 ARG 271 HB2 0.02 0.03 0.07 -0.04 1.90 1.98 2zy1A1 ARG 271 HB3 0.00 -0.02 0.03 -0.04 1.80 1.78 2zy1A1 ARG 271 HG2 0.00 0.04 -0.02 -0.04 1.67 1.65 2zy1A1 ARG 271 HG3 0.00 0.00 -0.14 -0.04 1.67 1.50 2zy1A1 ARG 271 HD2 0.03 -0.03 0.09 -0.04 3.22 3.27 2zy1A1 ARG 271 HD3 0.02 0.02 0.01 -0.04 3.22 3.23 2zy1A1 LYS 272 H -0.04 0.25 -0.37 -0.55 8.42 7.71 2zy1A1 LYS 272 HA -0.02 0.08 0.46 -0.75 4.32 4.08 2zy1A1 LYS 272 HB2 -0.05 -0.07 0.07 -0.04 1.87 1.78 2zy1A1 LYS 272 HB3 -0.07 0.11 0.01 -0.04 1.79 1.80 2zy1A1 LYS 272 HG2 -0.05 0.02 -0.04 -0.04 1.46 1.35 2zy1A1 LYS 272 HG3 -0.03 0.01 0.04 -0.04 1.46 1.43 2zy1A1 LYS 272 HD2 -0.08 -0.02 0.03 -0.04 1.69 1.58 2zy1A1 LYS 272 HD3 -0.09 -0.03 0.02 -0.04 1.68 1.54 2zy1A1 LYS 272 HE2 -0.05 0.01 -0.01 -0.04 2.99 2.90 2zy1A1 LYS 272 HE3 -0.05 0.01 -0.00 -0.04 2.99 2.91 2zy1A1 LYS 273 H -0.14 0.39 -0.16 -0.55 8.42 7.96 2zy1A1 LYS 273 HA -0.16 0.03 0.41 -0.75 4.32 3.85 2zy1A1 LYS 273 HB2 -0.73 0.13 0.12 -0.04 1.87 1.35 2zy1A1 LYS 273 HB3 -1.01 0.00 -0.02 -0.04 1.79 0.71 2zy1A1 LYS 273 HG2 -0.24 -0.04 -0.03 -0.04 1.46 1.11 2zy1A1 LYS 273 HG3 -0.22 0.15 -0.14 -0.04 1.46 1.20 2zy1A1 LYS 273 HD2 -0.42 -0.04 -0.04 -0.04 1.69 1.15 2zy1A1 LYS 273 HD3 -0.60 0.02 -0.04 -0.04 1.68 1.02 2zy1A1 LYS 273 HE2 -0.09 -0.05 -0.33 -0.04 2.99 2.48 2zy1A1 LYS 273 HE3 -0.12 -0.03 -0.08 -0.04 2.99 2.71 2zy1A1 ALA 274 H -0.06 0.50 -0.23 -0.55 8.40 8.06 2zy1A1 ALA 274 HA 0.36 0.05 0.43 -0.75 4.34 4.43 2zy1A1 ALA 274 HB3 0.16 0.04 0.07 -0.04 1.41 1.64 2zy1A1 LYS 275 H 0.04 0.33 -0.29 -0.55 8.42 7.95 2zy1A1 LYS 275 HA 0.09 0.03 0.42 -0.75 4.32 4.11 2zy1A1 LYS 275 HB2 0.03 0.03 0.13 -0.04 1.87 2.02 2zy1A1 LYS 275 HB3 0.03 0.12 0.18 -0.04 1.79 2.07 2zy1A1 LYS 275 HG2 0.06 -0.01 -0.21 -0.04 1.46 1.26 2zy1A1 LYS 275 HG3 0.05 -0.02 0.03 -0.04 1.46 1.49 2zy1A1 LYS 275 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 2zy1A1 LYS 275 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.63 2zy1A1 LYS 275 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 2zy1A1 LYS 275 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 2zy1A1 LEU 276 H 0.06 0.51 -0.14 -0.55 8.37 8.25 2zy1A1 LEU 276 HA 0.09 0.00 0.46 -0.75 4.35 4.15 2zy1A1 LEU 276 HB2 0.05 0.17 0.15 -0.04 1.64 1.97 2zy1A1 LEU 276 HB3 0.08 -0.04 -0.01 -0.04 1.64 1.63 2zy1A1 LEU 276 HG 0.02 0.08 0.05 -0.04 1.64 1.75 2zy1A1 LEU 276 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.69 2zy1A1 LEU 276 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 2zy1A1 PHE 277 H 0.29 0.48 -0.23 -0.55 8.34 8.33 2zy1A1 PHE 277 HA 0.07 0.00 0.39 -0.75 4.62 4.33 2zy1A1 PHE 277 HB2 0.25 0.03 0.09 -0.04 3.15 3.49 2zy1A1 PHE 277 HB3 0.16 0.15 0.14 -0.04 3.06 3.47 2zy1A1 PHE 277 HD2 0.07 -0.04 0.04 -0.04 7.28 7.31 2zy1A1 PHE 277 HE2 -0.02 -0.01 -0.02 -0.04 7.38 7.28 2zy1A1 PHE 277 HZ -0.03 0.02 -0.01 -0.04 7.32 7.26 2zy1A1 HIS 278 H 0.22 0.53 -0.22 -0.55 8.41 8.39 2zy1A1 HIS 278 HA -0.21 0.02 0.40 -0.75 4.63 4.09 2zy1A1 HIS 278 HB2 -0.02 0.02 0.12 -0.04 3.26 3.34 2zy1A1 HIS 278 HB3 0.01 0.11 0.19 -0.04 3.20 3.46 2zy1A1 HIS 278 HD2 -0.08 -0.00 0.00 -0.04 6.97 6.84 2zy1A1 HIS 278 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.62 2zy1A1 GLU 279 H 0.09 0.54 -0.08 -0.55 8.60 8.61 2zy1A1 GLU 279 HA -0.08 0.02 0.38 -0.75 4.29 3.85 2zy1A1 GLU 279 HB2 0.07 0.07 0.16 -0.04 2.09 2.34 2zy1A1 GLU 279 HB3 0.04 -0.04 0.03 -0.04 1.99 1.98 2zy1A1 GLU 279 HG2 0.08 -0.04 0.03 -0.04 2.34 2.36 2zy1A1 GLU 279 HG3 0.12 0.15 0.09 -0.04 2.34 2.66 2zy1A1 ILE 280 H 0.07 0.60 -0.12 -0.55 8.25 8.25 2zy1A1 ILE 280 HA 0.14 0.02 0.52 -0.75 4.18 4.11 2zy1A1 ILE 280 HB 0.16 0.09 0.13 -0.04 1.89 2.23 2zy1A1 ILE 280 HG12 0.16 -0.05 -0.04 -0.04 1.49 1.52 2zy1A1 ILE 280 HG13 0.12 -0.06 -0.01 -0.04 1.21 1.22 2zy1A1 ILE 280 HG23 0.10 0.02 -0.12 -0.04 0.93 0.89 2zy1A1 ILE 280 HD13 0.12 0.01 -0.16 -0.04 0.88 0.81 2zy1A1 ASN 281 H -0.07 0.72 -0.05 -0.55 8.53 8.58 2zy1A1 ASN 281 HA -0.02 -0.06 0.37 -0.75 4.76 4.30 2zy1A1 ASN 281 HB2 -0.59 0.13 0.16 -0.04 2.88 2.55 2zy1A1 ASN 281 HB3 -0.38 0.03 0.08 -0.04 2.79 2.48 2zy1A1 ASN 281 HD21 -0.17 -0.06 -0.01 -0.04 7.03 6.75 2zy1A1 ASN 281 HD22 -0.30 0.00 -0.05 -0.04 7.74 7.35 2zy1A1 SER 282 H -0.16 0.30 -0.54 -0.55 8.46 7.51 2zy1A1 SER 282 HA -0.11 0.04 0.50 -0.75 4.49 4.17 2zy1A1 SER 282 HB2 -0.17 0.08 0.15 -0.04 3.95 3.97 2zy1A1 SER 282 HB3 -0.11 -0.08 -0.02 -0.04 3.93 3.67 2zy1A1 LYS 283 H -0.00 0.40 0.01 -0.55 8.42 8.27 2zy1A1 LYS 283 HA -0.04 -0.07 0.40 -0.75 4.32 3.85 2zy1A1 LYS 283 HB2 0.02 0.06 0.21 -0.04 1.87 2.12 2zy1A1 LYS 283 HB3 0.10 0.07 0.15 -0.04 1.79 2.06 2zy1A1 LYS 283 HG2 -0.18 -0.03 -0.07 -0.04 1.46 1.14 2zy1A1 LYS 283 HG3 -0.07 -0.04 0.08 -0.04 1.46 1.39 2zy1A1 LYS 283 HD2 -0.03 -0.05 -0.00 -0.04 1.69 1.56 2zy1A1 LYS 283 HD3 0.01 -0.00 0.01 -0.04 1.68 1.66 2zy1A1 LYS 283 HE2 0.13 0.04 0.01 -0.04 2.99 3.14 2zy1A1 LYS 283 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.89 2zy1A1 TYR 284 H 0.23 0.43 -0.46 -0.55 8.29 7.94 2zy1A1 TYR 284 HA -0.01 0.08 0.47 -0.75 4.56 4.35 2zy1A1 TYR 284 HB2 -0.01 0.09 0.04 -0.04 3.06 3.13 2zy1A1 TYR 284 HB3 -0.00 -0.05 0.05 -0.04 2.98 2.93 2zy1A1 TYR 284 HD2 0.01 0.17 0.00 -0.04 7.15 7.29 2zy1A1 TYR 284 HE2 0.02 -0.03 -0.06 -0.04 6.85 6.74