============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 11 1.000 31.364 -40.060 79.292 -99.200 -91.000 TRP 13 1.040 36.119 -31.684 79.443 -99.200 -91.000 TRP6 13 1.020 36.004 -29.624 80.590 -99.200 -91.000 HIS 23 0.900 25.222 -20.132 76.231 -99.200 -91.000 TRP 30 1.040 18.930 -15.490 82.498 -99.200 -91.000 TRP6 30 1.020 20.248 -13.656 83.183 -99.200 -91.000 PHE 64 1.000 16.246 -14.914 86.977 -99.200 -91.000 HIS 70 0.900 15.974 -31.694 87.432 -99.200 -91.000 TYR 71 0.840 20.351 -32.075 77.676 -99.200 -91.000 PHE 77 1.000 20.369 -37.624 69.602 -99.200 -91.000 PHE 87 1.000 35.513 -38.953 82.741 -99.200 -91.000 HIS 103 0.900 24.142 -32.376 88.367 -99.200 -91.000 PHE 131 1.000 44.679 -28.092 82.644 -99.200 -91.000 HIS 155 0.900 28.966 -4.473 102.495 -99.200 -91.000 TRP 163 1.040 39.816 -16.274 98.532 -99.200 -91.000 TRP6 163 1.020 38.327 -17.425 97.109 -99.200 -91.000 PHE 178 1.000 49.391 -24.981 84.359 -99.200 -91.000 PHE 186 1.000 45.870 -18.269 93.119 -99.200 -91.000 HIS 199 0.900 31.482 -12.883 91.793 -99.200 -91.000 TRP 200 1.040 27.842 -8.988 85.484 -99.200 -91.000 TRP6 200 1.020 27.162 -10.659 83.958 -99.200 -91.000 PHE 201 1.000 27.070 -11.046 92.554 -99.200 -91.000 PHE 207 1.000 21.849 -8.131 85.073 -99.200 -91.000 PHE 208 1.000 24.224 -7.221 94.087 -99.200 -91.000 TYR 209 0.840 28.400 -4.857 86.306 -99.200 -91.000 PHE 216 1.000 40.558 -14.312 92.235 -99.200 -91.000 TRP 220 1.040 49.044 -18.969 97.371 -99.200 -91.000 TRP6 220 1.020 48.410 -19.571 99.563 -99.200 -91.000 PHE 221 1.000 52.532 -24.079 97.085 -99.200 -91.000 TRP 242 1.040 23.887 -13.515 80.029 -99.200 -91.000 TRP6 242 1.020 23.215 -15.695 79.407 -99.200 -91.000 TYR 250 0.840 17.862 -5.698 82.691 -99.200 -91.000 PHE 283 1.000 47.837 -20.419 87.424 -99.200 -91.000 TRP 294 1.040 25.503 -22.969 80.378 -99.200 -91.000 TRP6 294 1.020 24.825 -21.895 82.377 -99.200 -91.000 TYR 299 0.840 32.424 -33.042 85.804 -99.200 -91.000 TYR 301 0.840 25.200 -35.611 83.878 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ny0A1 GLU 83 HA 0.02 -0.06 0.24 -0.75 4.29 3.73 2ny0A1 GLU 83 HB2 0.04 -0.15 0.18 -0.04 2.09 2.12 2ny0A1 GLU 83 HB3 0.04 0.14 0.23 -0.04 1.99 2.35 2ny0A1 GLU 83 HG2 0.02 -0.03 -0.04 -0.04 2.34 2.26 2ny0A1 GLU 83 HG3 0.02 0.01 -0.14 -0.04 2.34 2.19 2ny0A1 VAL 84 H 0.03 0.39 0.19 -0.55 8.24 8.30 2ny0A1 VAL 84 HA 0.01 0.14 0.94 -0.75 4.13 4.47 2ny0A1 VAL 84 HB 0.02 0.04 -0.03 -0.04 2.12 2.11 2ny0A1 VAL 84 HG13 0.01 0.00 -0.07 -0.04 0.97 0.87 2ny0A1 VAL 84 HG23 0.02 -0.03 0.03 -0.04 0.95 0.93 2ny0A1 VAL 85 H 0.01 0.14 0.12 -0.55 8.24 7.96 2ny0A1 VAL 85 HA 0.01 0.05 0.65 -0.75 4.13 4.09 2ny0A1 VAL 85 HB -0.00 0.06 -0.07 -0.04 2.12 2.07 2ny0A1 VAL 85 HG13 -0.00 0.01 -0.07 -0.04 0.97 0.87 2ny0A1 VAL 85 HG23 0.00 -0.01 0.06 -0.04 0.95 0.97 2ny0A1 LEU 86 H 0.01 0.62 0.48 -0.55 8.37 8.93 2ny0A1 LEU 86 HA 0.01 0.09 0.88 -0.75 4.35 4.58 2ny0A1 LEU 86 HB2 0.02 0.26 0.20 -0.04 1.64 2.08 2ny0A1 LEU 86 HB3 0.02 -0.08 -0.00 -0.04 1.64 1.54 2ny0A1 LEU 86 HG 0.02 -0.01 -0.01 -0.04 1.64 1.60 2ny0A1 LEU 86 HD13 0.03 -0.03 -0.17 -0.04 0.93 0.72 2ny0A1 LEU 86 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.75 2ny0A1 VAL 87 H 0.01 0.18 0.21 -0.55 8.24 8.09 2ny0A1 VAL 87 HA 0.00 0.20 0.96 -0.75 4.13 4.54 2ny0A1 VAL 87 HB 0.00 0.01 0.01 -0.04 2.12 2.09 2ny0A1 VAL 87 HG13 0.00 0.02 -0.08 -0.04 0.97 0.86 2ny0A1 VAL 87 HG23 0.00 0.01 0.10 -0.04 0.95 1.03 2ny0A1 ASN 88 H 0.00 0.20 0.16 -0.55 8.53 8.35 2ny0A1 ASN 88 HA 0.00 0.02 0.34 -0.75 4.76 4.36 2ny0A1 ASN 88 HB2 0.01 0.24 0.01 -0.04 2.88 3.10 2ny0A1 ASN 88 HB3 0.01 -0.02 0.13 -0.04 2.79 2.87 2ny0A1 ASN 88 HD21 0.00 -0.01 -0.02 -0.04 7.03 6.96 2ny0A1 ASN 88 HD22 0.00 0.02 -0.01 -0.04 7.74 7.71 2ny0A1 VAL 89 H 0.01 0.04 -1.06 -0.55 8.24 6.69 2ny0A1 VAL 89 HA 0.02 0.05 0.53 -0.75 4.13 3.97 2ny0A1 VAL 89 HB 0.02 0.00 -0.06 -0.04 2.12 2.04 2ny0A1 VAL 89 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.70 2ny0A1 VAL 89 HG23 0.02 0.04 -0.06 -0.04 0.95 0.90 2ny0A1 THR 90 H 0.03 0.18 0.13 -0.55 8.28 8.07 2ny0A1 THR 90 HA 0.03 0.36 0.96 -0.75 4.39 4.99 2ny0A1 THR 90 HB 0.02 0.01 -0.08 -0.04 4.32 4.23 2ny0A1 THR 90 HG23 0.03 0.01 0.10 -0.04 1.22 1.31 2ny0A1 GLU 91 H 0.10 0.42 0.10 -0.55 8.60 8.67 2ny0A1 GLU 91 HA 0.06 0.14 0.78 -0.75 4.29 4.52 2ny0A1 GLU 91 HB2 0.18 0.02 -0.04 -0.04 2.09 2.22 2ny0A1 GLU 91 HB3 0.03 0.06 -0.19 -0.04 1.99 1.84 2ny0A1 GLU 91 HG2 0.04 -0.03 -0.23 -0.04 2.34 2.08 2ny0A1 GLU 91 HG3 0.03 0.01 -0.14 -0.04 2.34 2.20 2ny0A1 ASN 92 H 0.04 0.16 0.12 -0.55 8.53 8.31 2ny0A1 ASN 92 HA 0.22 0.16 0.67 -0.75 4.76 5.06 2ny0A1 ASN 92 HB2 0.07 -0.01 0.05 -0.04 2.88 2.95 2ny0A1 ASN 92 HB3 0.06 0.00 0.02 -0.04 2.79 2.83 2ny0A1 ASN 92 HD21 0.08 -0.02 -0.06 -0.04 7.03 6.99 2ny0A1 ASN 92 HD22 0.07 0.01 -0.06 -0.04 7.74 7.71 2ny0A1 PHE 93 H 0.47 0.64 0.19 -0.55 8.34 9.09 2ny0A1 PHE 93 HA 0.15 0.14 0.85 -0.75 4.62 5.01 2ny0A1 PHE 93 HB2 0.52 0.02 -0.14 -0.04 3.15 3.51 2ny0A1 PHE 93 HB3 0.35 0.13 -0.10 -0.04 3.06 3.40 2ny0A1 PHE 93 HD2 0.16 0.10 -0.32 -0.04 7.28 7.18 2ny0A1 PHE 93 HE2 0.01 0.01 -0.40 -0.04 7.38 6.95 2ny0A1 PHE 93 HZ -0.02 -0.05 -0.50 -0.04 7.32 6.70 2ny0A1 ASN 94 H 0.22 0.20 0.05 -0.55 8.53 8.46 2ny0A1 ASN 94 HA 0.27 0.15 0.65 -0.75 4.76 5.07 2ny0A1 ASN 94 HB2 0.11 0.07 -0.01 -0.04 2.88 3.01 2ny0A1 ASN 94 HB3 0.08 0.05 0.20 -0.04 2.79 3.08 2ny0A1 ASN 94 HD21 -0.01 0.01 -0.01 -0.04 7.03 6.98 2ny0A1 ASN 94 HD22 0.02 0.04 0.04 -0.04 7.74 7.81 2ny0A1 TRP 95 H 0.67 0.51 0.12 -0.55 7.97 8.73 2ny0A1 TRP 95 HA 0.14 0.11 0.30 -0.75 4.62 4.42 2ny0A1 TRP 95 HB2 0.15 -0.04 0.15 -0.04 3.23 3.46 2ny0A1 TRP 95 HB3 0.16 0.19 0.25 -0.04 3.23 3.78 2ny0A1 TRP 95 HD1 -0.01 0.03 -0.16 -0.04 7.22 7.04 2ny0A1 TRP 95 HE1 -0.08 0.04 -0.03 -0.04 10.20 10.09 2ny0A1 TRP 95 HE3 0.11 0.02 -0.06 -0.04 7.59 7.63 2ny0A1 TRP 95 HZ2 -0.14 -0.04 -0.33 -0.04 7.44 6.90 2ny0A1 TRP 95 HZ3 0.01 -0.00 -0.20 -0.04 7.13 6.90 2ny0A1 TRP 95 HH2 -0.08 -0.02 -0.25 -0.04 7.19 6.79 2ny0A1 CYS 96 H -0.35 0.07 -0.35 -0.55 8.50 7.32 2ny0A1 CYS 96 HA -0.59 0.13 0.60 -0.75 4.58 3.96 2ny0A1 CYS 96 HB2 -0.34 0.02 0.02 -0.04 2.97 2.63 2ny0A1 CYS 96 HB3 -0.39 -0.00 0.11 -0.04 2.97 2.65 2ny0A1 LYS 97 H -0.06 0.41 -0.32 -0.55 8.42 7.90 2ny0A1 LYS 97 HA -0.06 0.12 0.71 -0.75 4.32 4.33 2ny0A1 LYS 97 HB2 -0.02 0.01 0.17 -0.04 1.87 1.99 2ny0A1 LYS 97 HB3 -0.02 -0.03 0.16 -0.04 1.79 1.87 2ny0A1 LYS 97 HG2 -0.05 0.02 0.05 -0.04 1.46 1.45 2ny0A1 LYS 97 HG3 -0.07 -0.02 -0.24 -0.04 1.46 1.09 2ny0A1 LYS 97 HD2 -0.02 -0.01 0.00 -0.04 1.69 1.62 2ny0A1 LYS 97 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.65 2ny0A1 LYS 97 HE2 -0.03 -0.00 0.00 -0.04 2.99 2.93 2ny0A1 LYS 97 HE3 -0.04 0.01 -0.01 -0.04 2.99 2.91 2ny0A1 ASN 98 H -0.02 0.23 -0.14 -0.55 8.53 8.06 2ny0A1 ASN 98 HA 0.01 0.16 0.99 -0.75 4.76 5.17 2ny0A1 ASN 98 HB2 0.11 0.19 -0.08 -0.04 2.88 3.05 2ny0A1 ASN 98 HB3 0.07 0.07 0.13 -0.04 2.79 3.02 2ny0A1 ASN 98 HD21 0.10 -0.00 -0.07 -0.04 7.03 7.02 2ny0A1 ASN 98 HD22 0.20 0.12 -0.01 -0.04 7.74 8.00 2ny0A1 ASP 99 H -0.03 0.28 0.16 -0.55 8.40 8.27 2ny0A1 ASP 99 HA -0.01 0.05 0.30 -0.75 4.63 4.23 2ny0A1 ASP 99 HB2 -0.08 0.04 0.09 -0.04 2.71 2.72 2ny0A1 ASP 99 HB3 -0.05 0.02 0.08 -0.04 2.70 2.71 2ny0A1 MET 100 H -0.09 0.11 -0.37 -0.55 8.47 7.58 2ny0A1 MET 100 HA -0.31 0.10 0.48 -0.75 4.52 4.04 2ny0A1 MET 100 HB2 -0.19 0.08 -0.06 -0.04 2.15 1.93 2ny0A1 MET 100 HB3 -0.76 0.04 -0.05 -0.04 2.03 1.23 2ny0A1 MET 100 HG2 -0.63 0.05 -0.09 -0.04 2.63 1.92 2ny0A1 MET 100 HG3 -0.18 -0.13 -0.03 -0.04 2.56 2.18 2ny0A1 MET 100 HE3 -0.49 0.01 -0.13 -0.04 2.10 1.45 2ny0A1 VAL 101 H 0.00 0.42 -0.17 -0.55 8.24 7.95 2ny0A1 VAL 101 HA 0.14 0.07 0.37 -0.75 4.13 3.95 2ny0A1 VAL 101 HB 0.06 0.14 0.15 -0.04 2.12 2.43 2ny0A1 VAL 101 HG13 0.17 -0.01 -0.09 -0.04 0.97 1.00 2ny0A1 VAL 101 HG23 0.13 0.01 -0.01 -0.04 0.95 1.04 2ny0A1 GLU 102 H 0.06 0.18 -0.17 -0.55 8.60 8.12 2ny0A1 GLU 102 HA 0.16 0.06 0.45 -0.75 4.29 4.20 2ny0A1 GLU 102 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 2ny0A1 GLU 102 HB3 0.07 0.04 -0.04 -0.04 1.99 2.01 2ny0A1 GLU 102 HG2 0.03 0.03 -0.00 -0.04 2.34 2.36 2ny0A1 GLU 102 HG3 0.05 0.01 0.02 -0.04 2.34 2.37 2ny0A1 GLN 103 H 0.08 0.48 -0.09 -0.55 8.47 8.40 2ny0A1 GLN 103 HA 0.09 0.04 0.43 -0.75 4.36 4.16 2ny0A1 GLN 103 HB2 0.21 0.10 0.18 -0.04 2.15 2.60 2ny0A1 GLN 103 HB3 0.26 0.03 -0.05 -0.04 2.02 2.22 2ny0A1 GLN 103 HG2 0.06 -0.02 0.04 -0.04 2.40 2.44 2ny0A1 GLN 103 HG3 0.10 0.02 0.01 -0.04 2.39 2.47 2ny0A1 GLN 103 HE21 0.01 0.01 0.00 -0.04 6.97 6.95 2ny0A1 GLN 103 HE22 0.02 0.00 0.00 -0.04 7.69 7.67 2ny0A1 MET 104 H 0.09 0.52 -0.23 -0.55 8.47 8.30 2ny0A1 MET 104 HA -0.02 0.03 0.42 -0.75 4.52 4.21 2ny0A1 MET 104 HB2 -0.01 0.06 0.08 -0.04 2.15 2.24 2ny0A1 MET 104 HB3 -0.14 0.06 0.08 -0.04 2.03 1.98 2ny0A1 MET 104 HG2 -0.81 -0.02 -0.19 -0.04 2.63 1.58 2ny0A1 MET 104 HG3 -0.25 -0.03 -0.01 -0.04 2.56 2.23 2ny0A1 MET 104 HE3 -0.31 0.01 -0.07 -0.04 2.10 1.69 2ny0A1 HIS 105 H 0.22 0.53 -0.17 -0.55 8.41 8.44 2ny0A1 HIS 105 HA 0.33 0.00 0.40 -0.75 4.63 4.60 2ny0A1 HIS 105 HB2 0.46 0.09 0.14 -0.04 3.26 3.91 2ny0A1 HIS 105 HB3 0.22 0.13 0.14 -0.04 3.20 3.64 2ny0A1 HIS 105 HD2 0.16 0.04 -0.07 -0.04 6.97 7.06 2ny0A1 HIS 105 HE1 0.46 -0.08 0.02 -0.04 7.75 8.10 2ny0A1 GLU 106 H 0.14 0.43 -0.35 -0.55 8.60 8.28 2ny0A1 GLU 106 HA 0.03 0.04 0.49 -0.75 4.29 4.09 2ny0A1 GLU 106 HB2 0.05 0.12 0.12 -0.04 2.09 2.34 2ny0A1 GLU 106 HB3 0.04 -0.05 0.05 -0.04 1.99 1.99 2ny0A1 GLU 106 HG2 0.15 0.19 0.11 -0.04 2.34 2.74 2ny0A1 GLU 106 HG3 0.08 -0.06 -0.01 -0.04 2.34 2.31 2ny0A1 ASP 107 H 0.02 0.49 -0.03 -0.55 8.40 8.33 2ny0A1 ASP 107 HA 0.03 0.02 0.47 -0.75 4.63 4.40 2ny0A1 ASP 107 HB2 -0.03 0.07 0.17 -0.04 2.71 2.88 2ny0A1 ASP 107 HB3 -0.01 -0.01 0.00 -0.04 2.70 2.64 2ny0A1 ILE 108 H -0.05 0.64 -0.12 -0.55 8.25 8.18 2ny0A1 ILE 108 HA 0.12 0.06 0.48 -0.75 4.18 4.10 2ny0A1 ILE 108 HB -0.10 0.07 0.08 -0.04 1.89 1.89 2ny0A1 ILE 108 HG12 -0.17 0.00 -0.01 -0.04 1.49 1.28 2ny0A1 ILE 108 HG13 -0.29 0.02 -0.00 -0.04 1.21 0.90 2ny0A1 ILE 108 HG23 0.17 -0.00 -0.13 -0.04 0.93 0.92 2ny0A1 ILE 108 HD13 -1.30 -0.02 -0.12 -0.04 0.88 -0.59 2ny0A1 ILE 109 H 0.06 0.44 -0.24 -0.55 8.25 7.96 2ny0A1 ILE 109 HA 0.00 0.01 0.48 -0.75 4.18 3.92 2ny0A1 ILE 109 HB -0.06 0.15 0.24 -0.04 1.89 2.18 2ny0A1 ILE 109 HG12 -0.79 -0.12 0.08 -0.04 1.49 0.62 2ny0A1 ILE 109 HG13 -0.21 0.09 0.12 -0.04 1.21 1.17 2ny0A1 ILE 109 HG23 -0.14 -0.02 -0.13 -0.04 0.93 0.60 2ny0A1 ILE 109 HD13 -0.22 -0.01 0.03 -0.04 0.88 0.63 2ny0A1 SER 110 H 0.07 0.52 -0.16 -0.55 8.46 8.34 2ny0A1 SER 110 HA 0.08 0.01 0.44 -0.75 4.49 4.26 2ny0A1 SER 110 HB2 0.04 -0.05 0.10 -0.04 3.95 4.00 2ny0A1 SER 110 HB3 0.04 0.11 0.14 -0.04 3.93 4.18 2ny0A1 LEU 111 H 0.19 0.39 -0.38 -0.55 8.37 8.03 2ny0A1 LEU 111 HA 0.15 0.02 0.49 -0.75 4.35 4.26 2ny0A1 LEU 111 HB2 0.16 0.15 0.15 -0.04 1.64 2.05 2ny0A1 LEU 111 HB3 0.38 0.13 0.09 -0.04 1.64 2.21 2ny0A1 LEU 111 HG 0.22 -0.04 0.06 -0.04 1.64 1.84 2ny0A1 LEU 111 HD13 0.09 -0.01 0.01 -0.04 0.93 0.98 2ny0A1 LEU 111 HD23 0.19 -0.01 -0.01 -0.04 0.89 1.02 2ny0A1 TRP 112 H 0.47 0.35 -0.50 -0.55 7.97 7.74 2ny0A1 TRP 112 HA 0.08 0.06 0.64 -0.75 4.62 4.65 2ny0A1 TRP 112 HB2 0.24 0.19 0.21 -0.04 3.23 3.83 2ny0A1 TRP 112 HB3 0.19 -0.02 -0.01 -0.04 3.23 3.35 2ny0A1 TRP 112 HD1 0.34 0.06 -0.12 -0.04 7.22 7.46 2ny0A1 TRP 112 HE1 0.38 0.09 -0.01 -0.04 10.20 10.62 2ny0A1 TRP 112 HE3 0.46 0.04 -0.01 -0.04 7.59 8.04 2ny0A1 TRP 112 HZ2 0.15 -0.06 0.04 -0.04 7.44 7.54 2ny0A1 TRP 112 HZ3 0.86 -0.01 -0.05 -0.04 7.13 7.89 2ny0A1 TRP 112 HH2 0.21 -0.02 -0.03 -0.04 7.19 7.30 2ny0A1 ASP 113 H 0.22 0.27 -0.07 -0.55 8.40 8.27 2ny0A1 ASP 113 HA 0.12 0.12 0.35 -0.75 4.63 4.47 2ny0A1 ASP 113 HB2 0.07 0.05 0.12 -0.04 2.71 2.91 2ny0A1 ASP 113 HB3 0.05 -0.02 -0.02 -0.04 2.70 2.68 2ny0A1 GLN 114 H 0.09 0.33 -0.19 -0.55 8.47 8.15 2ny0A1 GLN 114 HA 0.03 0.10 0.40 -0.75 4.36 4.13 2ny0A1 GLN 114 HB2 0.03 -0.03 0.09 -0.04 2.15 2.21 2ny0A1 GLN 114 HB3 0.04 -0.05 0.05 -0.04 2.02 2.02 2ny0A1 GLN 114 HG2 0.08 0.28 0.12 -0.04 2.40 2.84 2ny0A1 GLN 114 HG3 0.07 0.04 -0.11 -0.04 2.39 2.35 2ny0A1 GLN 114 HE21 0.04 -0.08 -0.05 -0.04 6.97 6.84 2ny0A1 GLN 114 HE22 0.07 0.21 -0.11 -0.04 7.69 7.82 2ny0A1 SER 115 H 0.01 0.10 -0.90 -0.55 8.46 7.13 2ny0A1 SER 115 HA -0.02 0.15 0.87 -0.75 4.49 4.74 2ny0A1 SER 115 HB2 0.04 0.07 -0.04 -0.04 3.95 3.98 2ny0A1 SER 115 HB3 -0.27 0.02 0.10 -0.04 3.93 3.74 2ny0A1 LEU 116 H -0.19 0.64 0.08 -0.55 8.37 8.36 2ny0A1 LEU 116 HA -0.15 0.16 0.86 -0.75 4.35 4.46 2ny0A1 LEU 116 HB2 -0.94 -0.07 0.11 -0.04 1.64 0.70 2ny0A1 LEU 116 HB3 -0.20 -0.03 0.21 -0.04 1.64 1.58 2ny0A1 LEU 116 HG -0.79 -0.08 0.01 -0.04 1.64 0.74 2ny0A1 LEU 116 HD13 -0.79 -0.00 -0.03 -0.04 0.93 0.07 2ny0A1 LEU 116 HD23 -0.16 0.04 0.02 -0.04 0.89 0.75 2ny0A1 LYS 117 H 0.04 0.22 -0.03 -0.55 8.42 8.09 2ny0A1 LYS 117 HA 0.07 0.13 0.60 -0.75 4.32 4.36 2ny0A1 LYS 117 HB2 0.03 -0.03 0.09 -0.04 1.87 1.92 2ny0A1 LYS 117 HB3 0.01 0.06 -0.05 -0.04 1.79 1.77 2ny0A1 LYS 117 HG2 0.03 0.14 -0.04 -0.04 1.46 1.54 2ny0A1 LYS 117 HG3 0.02 -0.03 -0.23 -0.04 1.46 1.17 2ny0A1 LYS 117 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.64 2ny0A1 LYS 117 HD3 0.01 -0.05 -0.03 -0.04 1.68 1.56 2ny0A1 LYS 117 HE2 0.01 0.08 -0.08 -0.04 2.99 2.96 2ny0A1 LYS 117 HE3 0.01 -0.10 -0.03 -0.04 2.99 2.83 2ny0A1 PRO 118 HA -0.79 0.06 0.62 -0.51 4.44 3.82 2ny0A1 PRO 118 HB2 -0.27 0.07 -0.12 -0.04 2.28 1.92 2ny0A1 PRO 118 HB3 -0.77 -0.06 0.04 -0.04 2.02 1.19 2ny0A1 PRO 118 HG2 -0.08 -0.04 -0.00 -0.04 2.03 1.86 2ny0A1 PRO 118 HG3 -0.04 0.02 0.04 -0.04 2.03 2.01 2ny0A1 PRO 118 HD2 -0.04 0.06 0.13 -0.04 3.68 3.78 2ny0A1 PRO 118 HD3 0.05 0.25 0.29 -0.04 3.65 4.20 2ny0A1 CYS 119 H -0.23 0.32 0.43 -0.55 8.50 8.48 2ny0A1 CYS 119 HA -0.05 0.25 0.54 -0.75 4.58 4.56 2ny0A1 CYS 119 HB2 -0.05 -0.01 0.05 -0.04 2.97 2.92 2ny0A1 CYS 119 HB3 -0.03 -0.07 0.07 -0.04 2.97 2.90 2ny0A1 VAL 120 H -0.14 0.32 0.19 -0.55 8.24 8.06 2ny0A1 VAL 120 HA -0.06 0.34 0.97 -0.75 4.13 4.63 2ny0A1 VAL 120 HB -0.05 -0.10 0.07 -0.04 2.12 2.00 2ny0A1 VAL 120 HG13 -0.04 -0.01 -0.14 -0.04 0.97 0.74 2ny0A1 VAL 120 HG23 -0.03 -0.01 -0.16 -0.04 0.95 0.71 2ny0A1 LYS 121 H -0.05 0.59 0.33 -0.55 8.42 8.74 2ny0A1 LYS 121 HA -0.06 0.20 1.07 -0.75 4.32 4.78 2ny0A1 LYS 121 HB2 -0.07 0.06 -0.07 -0.04 1.87 1.75 2ny0A1 LYS 121 HB3 -0.04 -0.01 0.09 -0.04 1.79 1.78 2ny0A1 LYS 121 HG2 -0.03 -0.06 -0.25 -0.04 1.46 1.08 2ny0A1 LYS 121 HG3 -0.04 0.04 -0.03 -0.04 1.46 1.39 2ny0A1 LYS 121 HD2 -0.03 -0.01 -0.06 -0.04 1.69 1.55 2ny0A1 LYS 121 HD3 -0.03 0.04 -0.06 -0.04 1.68 1.59 2ny0A1 LYS 121 HE2 -0.03 -0.03 -0.10 -0.04 2.99 2.79 2ny0A1 LYS 121 HE3 -0.04 -0.01 -0.12 -0.04 2.99 2.78 2ny0A1 LEU 122 H -0.04 0.91 0.42 -0.55 8.37 9.11 2ny0A1 LEU 122 HA -0.03 0.35 1.14 -0.75 4.35 5.06 2ny0A1 LEU 122 HB2 -0.03 -0.11 0.20 -0.04 1.64 1.66 2ny0A1 LEU 122 HB3 -0.02 -0.01 -0.01 -0.04 1.64 1.56 2ny0A1 LEU 122 HG -0.03 -0.01 -0.20 -0.04 1.64 1.36 2ny0A1 LEU 122 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2ny0A1 LEU 122 HD23 -0.02 0.03 -0.16 -0.04 0.89 0.70 2ny0A1 THR 123 H -0.02 0.58 0.33 -0.55 8.28 8.62 2ny0A1 THR 123 HA -0.03 0.17 1.03 -0.75 4.39 4.80 2ny0A1 THR 123 HB -0.03 0.10 0.13 -0.04 4.32 4.48 2ny0A1 THR 123 HG23 -0.04 -0.01 -0.18 -0.04 1.22 0.95 2ny0A1 PRO 124 HA -0.02 0.11 0.53 -0.51 4.44 4.56 2ny0A1 PRO 124 HB2 -0.01 -0.04 0.03 -0.04 2.28 2.21 2ny0A1 PRO 124 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 2ny0A1 PRO 124 HG2 -0.02 0.02 0.08 -0.04 2.03 2.06 2ny0A1 PRO 124 HG3 -0.02 -0.00 0.04 -0.04 2.03 2.00 2ny0A1 PRO 124 HD2 -0.03 0.36 0.31 -0.04 3.68 4.28 2ny0A1 PRO 124 HD3 -0.02 0.06 0.09 -0.04 3.65 3.73 2ny0A1 LEU 125 H -0.01 0.35 0.21 -0.55 8.37 8.37 2ny0A1 LEU 125 HA -0.01 0.05 0.53 -0.75 4.35 4.17 2ny0A1 LEU 125 HB2 -0.01 0.17 -0.11 -0.04 1.64 1.64 2ny0A1 LEU 125 HB3 -0.01 -0.01 0.03 -0.04 1.64 1.62 2ny0A1 LEU 125 HG -0.01 -0.08 0.01 -0.04 1.64 1.52 2ny0A1 LEU 125 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.91 2ny0A1 LEU 125 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 2ny0A1 CYS 126 H -0.01 0.21 0.04 -0.55 8.50 8.19 2ny0A1 CYS 126 HA -0.01 0.23 0.98 -0.75 4.58 5.03 2ny0A1 CYS 126 HB2 -0.01 0.02 0.13 -0.04 2.97 3.07 2ny0A1 CYS 126 HB3 -0.01 0.14 0.18 -0.04 2.97 3.24 2ny0A1 VAL 127 H -0.01 0.08 -0.25 -0.55 8.24 7.51 2ny0A1 VAL 127 HA -0.01 0.07 0.39 -0.75 4.13 3.83 2ny0A1 VAL 127 HB -0.01 -0.01 0.07 -0.04 2.12 2.13 2ny0A1 VAL 127 HG13 -0.01 0.01 -0.03 -0.04 0.97 0.90 2ny0A1 VAL 127 HG23 -0.00 0.00 -0.07 -0.04 0.95 0.83 2ny0A1 GLY 128 H -0.01 0.03 -0.17 -0.55 8.43 7.74 2ny0A1 GLY 128 HA2 -0.00 0.02 0.40 -0.51 4.01 3.92 2ny0A1 GLY 128 HA3 -0.00 0.02 0.20 -0.51 4.01 3.71 2ny0A1 ALA 129 H -0.00 0.09 0.09 -0.55 8.40 8.03 2ny0A1 ALA 129 HA -0.00 0.19 0.54 -0.75 4.34 4.31 2ny0A1 ALA 129 HB3 -0.00 -0.00 0.17 -0.04 1.41 1.53 2ny0A1 GLY 194 H -0.00 0.59 -0.16 -0.55 8.43 8.31 2ny0A1 GLY 194 HA2 -0.00 0.04 0.36 -0.51 4.01 3.90 2ny0A1 GLY 194 HA3 -0.00 -0.06 0.34 -0.51 4.01 3.77 2ny0A1 SER 195 H -0.00 0.07 0.08 -0.55 8.46 8.05 2ny0A1 SER 195 HA -0.01 0.03 0.50 -0.75 4.49 4.26 2ny0A1 SER 195 HB2 -0.01 0.01 0.03 -0.04 3.95 3.95 2ny0A1 SER 195 HB3 -0.01 0.05 0.12 -0.04 3.93 4.06 2ny0A1 CYS 196 H -0.01 0.05 0.19 -0.55 8.50 8.18 2ny0A1 CYS 196 HA -0.01 0.17 0.80 -0.75 4.58 4.79 2ny0A1 CYS 196 HB2 -0.01 -0.03 0.11 -0.04 2.97 3.00 2ny0A1 CYS 196 HB3 -0.01 -0.01 -0.02 -0.04 2.97 2.88 2ny0A1 ASN 197 H -0.01 0.23 0.10 -0.55 8.53 8.31 2ny0A1 ASN 197 HA -0.01 0.12 0.79 -0.75 4.76 4.90 2ny0A1 ASN 197 HB2 -0.01 0.01 -0.12 -0.04 2.88 2.72 2ny0A1 ASN 197 HB3 -0.01 0.00 0.03 -0.04 2.79 2.77 2ny0A1 ASN 197 HD21 -0.01 -0.02 -0.01 -0.04 7.03 6.95 2ny0A1 ASN 197 HD22 -0.01 -0.01 -0.07 -0.04 7.74 7.61 2ny0A1 THR 198 H -0.01 0.22 0.11 -0.55 8.28 8.05 2ny0A1 THR 198 HA -0.01 0.21 0.98 -0.75 4.39 4.81 2ny0A1 THR 198 HB -0.01 -0.02 0.06 -0.04 4.32 4.30 2ny0A1 THR 198 HG23 -0.02 0.03 -0.23 -0.04 1.22 0.96 2ny0A1 SER 199 H -0.02 0.54 0.18 -0.55 8.46 8.62 2ny0A1 SER 199 HA -0.01 0.05 0.77 -0.75 4.49 4.55 2ny0A1 SER 199 HB2 -0.01 -0.02 0.07 -0.04 3.95 3.94 2ny0A1 SER 199 HB3 -0.02 0.10 0.18 -0.04 3.93 4.15 2ny0A1 VAL 200 H -0.01 0.19 0.19 -0.55 8.24 8.06 2ny0A1 VAL 200 HA -0.02 0.34 1.12 -0.75 4.13 4.81 2ny0A1 VAL 200 HB -0.02 -0.03 0.11 -0.04 2.12 2.14 2ny0A1 VAL 200 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.72 2ny0A1 VAL 200 HG23 -0.02 0.01 -0.19 -0.04 0.95 0.72 2ny0A1 ILE 201 H -0.03 0.61 0.32 -0.55 8.25 8.61 2ny0A1 ILE 201 HA -0.02 0.14 0.96 -0.75 4.18 4.51 2ny0A1 ILE 201 HB -0.03 0.01 0.11 -0.04 1.89 1.94 2ny0A1 ILE 201 HG12 -0.01 0.02 -0.00 -0.04 1.49 1.45 2ny0A1 ILE 201 HG13 -0.02 -0.03 -0.35 -0.04 1.21 0.78 2ny0A1 ILE 201 HG23 -0.02 0.01 -0.23 -0.04 0.93 0.65 2ny0A1 ILE 201 HD13 -0.02 -0.00 -0.09 -0.04 0.88 0.74 2ny0A1 THR 202 H -0.02 0.21 0.19 -0.55 8.28 8.11 2ny0A1 THR 202 HA -0.03 0.36 1.07 -0.75 4.39 5.04 2ny0A1 THR 202 HB -0.02 -0.06 0.11 -0.04 4.32 4.32 2ny0A1 THR 202 HG23 -0.02 0.02 -0.04 -0.04 1.22 1.14 2ny0A1 GLN 203 H -0.03 0.71 0.31 -0.55 8.47 8.91 2ny0A1 GLN 203 HA -0.01 0.01 0.71 -0.75 4.36 4.31 2ny0A1 GLN 203 HB2 -0.01 -0.03 0.06 -0.04 2.15 2.13 2ny0A1 GLN 203 HB3 -0.01 -0.01 -0.24 -0.04 2.02 1.72 2ny0A1 GLN 203 HG2 -0.03 -0.03 -0.20 -0.04 2.40 2.09 2ny0A1 GLN 203 HG3 -0.02 0.19 -0.31 -0.04 2.39 2.20 2ny0A1 GLN 203 HE21 -0.01 -0.08 -0.07 -0.04 6.97 6.77 2ny0A1 GLN 203 HE22 -0.04 0.22 -0.09 -0.04 7.69 7.74 2ny0A1 ALA 204 H -0.00 0.07 0.14 -0.55 8.40 8.06 2ny0A1 ALA 204 HA -0.00 -0.00 0.50 -0.75 4.34 4.08 2ny0A1 ALA 204 HB3 0.00 -0.00 0.09 -0.04 1.41 1.46 2ny0A1 CYS 205 H 0.01 0.04 0.07 -0.55 8.50 8.07 2ny0A1 CYS 205 HA 0.02 0.29 0.81 -0.75 4.58 4.94 2ny0A1 CYS 205 HB2 0.06 0.02 0.14 -0.04 2.97 3.14 2ny0A1 CYS 205 HB3 -0.02 0.12 -0.54 -0.04 2.97 2.48 2ny0A1 PRO 206 HA 0.02 -0.06 0.38 -0.51 4.44 4.27 2ny0A1 PRO 206 HB2 0.01 0.08 -0.06 -0.04 2.28 2.26 2ny0A1 PRO 206 HB3 0.01 -0.01 0.05 -0.04 2.02 2.03 2ny0A1 PRO 206 HG2 0.01 0.07 0.01 -0.04 2.03 2.07 2ny0A1 PRO 206 HG3 0.01 -0.04 -0.01 -0.04 2.03 1.94 2ny0A1 PRO 206 HD2 0.02 0.18 0.09 -0.04 3.68 3.93 2ny0A1 PRO 206 HD3 0.01 0.09 -0.54 -0.04 3.65 3.17 2ny0A1 LYS 207 H 0.02 0.04 0.20 -0.55 8.42 8.11 2ny0A1 LYS 207 HA 0.01 0.14 0.68 -0.75 4.32 4.40 2ny0A1 LYS 207 HB2 0.01 -0.06 0.15 -0.04 1.87 1.93 2ny0A1 LYS 207 HB3 0.00 -0.02 0.03 -0.04 1.79 1.76 2ny0A1 LYS 207 HG2 0.02 -0.03 0.11 -0.04 1.46 1.52 2ny0A1 LYS 207 HG3 0.01 -0.04 0.04 -0.04 1.46 1.42 2ny0A1 LYS 207 HD2 0.05 0.08 0.00 -0.04 1.69 1.78 2ny0A1 LYS 207 HD3 0.04 0.01 -0.01 -0.04 1.68 1.69 2ny0A1 LYS 207 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.92 2ny0A1 LYS 207 HE3 0.00 -0.08 0.01 -0.04 2.99 2.88 2ny0A1 VAL 208 H -0.04 0.26 0.20 -0.55 8.24 8.11 2ny0A1 VAL 208 HA -0.01 0.13 0.90 -0.75 4.13 4.39 2ny0A1 VAL 208 HB -0.02 0.11 -0.15 -0.04 2.12 2.02 2ny0A1 VAL 208 HG13 -0.12 0.03 0.05 -0.04 0.97 0.89 2ny0A1 VAL 208 HG23 0.03 -0.02 -0.16 -0.04 0.95 0.76 2ny0A1 SER 209 H 0.00 0.18 0.01 -0.55 8.46 8.11 2ny0A1 SER 209 HA -0.00 0.17 0.34 -0.75 4.49 4.24 2ny0A1 SER 209 HB2 -0.00 -0.00 0.16 -0.04 3.95 4.06 2ny0A1 SER 209 HB3 -0.01 0.02 0.13 -0.04 3.93 4.03 2ny0A1 PHE 210 H 0.07 0.49 -0.11 -0.55 8.34 8.24 2ny0A1 PHE 210 HA -0.13 0.02 0.15 -0.75 4.62 3.90 2ny0A1 PHE 210 HB2 -0.26 0.14 0.07 -0.04 3.15 3.06 2ny0A1 PHE 210 HB3 -0.24 -0.17 -0.01 -0.04 3.06 2.60 2ny0A1 PHE 210 HD2 -0.29 -0.03 -0.08 -0.04 7.28 6.84 2ny0A1 PHE 210 HE2 -0.32 0.03 -0.05 -0.04 7.38 7.00 2ny0A1 PHE 210 HZ -0.32 0.05 -0.08 -0.04 7.32 6.94 2ny0A1 GLU 211 H -0.51 0.14 -0.02 -0.55 8.60 7.66 2ny0A1 GLU 211 HA -0.28 0.09 0.60 -0.75 4.29 3.95 2ny0A1 GLU 211 HB2 -0.10 0.14 -0.09 -0.04 2.09 1.99 2ny0A1 GLU 211 HB3 -0.12 -0.04 0.06 -0.04 1.99 1.85 2ny0A1 GLU 211 HG2 -0.08 -0.05 -0.03 -0.04 2.34 2.14 2ny0A1 GLU 211 HG3 -0.12 0.05 -0.29 -0.04 2.34 1.94 2ny0A1 PRO 212 HA -0.32 0.01 0.32 -0.51 4.44 3.94 2ny0A1 PRO 212 HB2 -0.11 -0.01 -0.02 -0.04 2.28 2.10 2ny0A1 PRO 212 HB3 -0.10 0.09 -0.07 -0.04 2.02 1.89 2ny0A1 PRO 212 HG2 -0.12 0.01 -0.07 -0.04 2.03 1.81 2ny0A1 PRO 212 HG3 -0.41 0.05 -0.04 -0.04 2.03 1.59 2ny0A1 PRO 212 HD2 -0.21 0.11 0.09 -0.04 3.68 3.64 2ny0A1 PRO 212 HD3 -0.46 0.10 -0.00 -0.04 3.65 3.24 2ny0A1 ILE 213 H -0.11 0.09 0.21 -0.55 8.25 7.89 2ny0A1 ILE 213 HA -0.05 0.12 0.73 -0.75 4.18 4.23 2ny0A1 ILE 213 HB -0.04 -0.05 0.16 -0.04 1.89 1.91 2ny0A1 ILE 213 HG12 -0.02 -0.05 0.04 -0.04 1.49 1.43 2ny0A1 ILE 213 HG13 -0.02 -0.00 0.07 -0.04 1.21 1.22 2ny0A1 ILE 213 HG23 -0.00 -0.00 -0.16 -0.04 0.93 0.72 2ny0A1 ILE 213 HD13 -0.06 0.02 -0.05 -0.04 0.88 0.75 2ny0A1 PRO 214 HA -0.09 0.19 0.22 -0.51 4.44 4.25 2ny0A1 PRO 214 HB2 -0.12 -0.05 -0.06 -0.04 2.28 2.02 2ny0A1 PRO 214 HB3 -0.13 0.00 -0.23 -0.04 2.02 1.62 2ny0A1 PRO 214 HG2 -0.01 -0.01 0.02 -0.04 2.03 1.99 2ny0A1 PRO 214 HG3 -0.03 0.08 -0.02 -0.04 2.03 2.01 2ny0A1 PRO 214 HD2 -0.02 0.04 0.17 -0.04 3.68 3.84 2ny0A1 PRO 214 HD3 -0.04 0.21 0.22 -0.04 3.65 4.00 2ny0A1 ILE 215 H -0.15 0.88 0.36 -0.55 8.25 8.79 2ny0A1 ILE 215 HA -0.04 0.14 0.92 -0.75 4.18 4.45 2ny0A1 ILE 215 HB -0.13 -0.04 0.06 -0.04 1.89 1.73 2ny0A1 ILE 215 HG12 -0.03 0.03 -0.09 -0.04 1.49 1.36 2ny0A1 ILE 215 HG13 -0.07 0.15 0.06 -0.04 1.21 1.31 2ny0A1 ILE 215 HG23 -0.04 -0.00 -0.10 -0.04 0.93 0.74 2ny0A1 ILE 215 HD13 -0.04 -0.03 -0.03 -0.04 0.88 0.74 2ny0A1 HIS 216 H 0.13 0.19 0.11 -0.55 8.41 8.29 2ny0A1 HIS 216 HA -0.09 0.24 0.78 -0.75 4.63 4.81 2ny0A1 HIS 216 HB2 -0.05 -0.05 -0.05 -0.04 3.26 3.08 2ny0A1 HIS 216 HB3 -0.05 0.09 -0.13 -0.04 3.20 3.07 2ny0A1 HIS 216 HD2 -0.03 0.03 -0.05 -0.04 6.97 6.87 2ny0A1 HIS 216 HE1 0.01 -0.04 -0.09 -0.04 7.75 7.59 2ny0A1 TYR 217 H 0.02 0.20 0.09 -0.55 8.29 8.04 2ny0A1 TYR 217 HA -0.06 0.16 0.86 -0.75 4.56 4.77 2ny0A1 TYR 217 HB2 -0.13 0.03 0.01 -0.04 3.06 2.94 2ny0A1 TYR 217 HB3 -0.18 -0.05 0.13 -0.04 2.98 2.84 2ny0A1 TYR 217 HD2 -0.08 -0.04 -0.25 -0.04 7.15 6.74 2ny0A1 TYR 217 HE2 -0.04 -0.05 -0.14 -0.04 6.85 6.58 2ny0A1 CYS 218 H -0.34 0.21 0.08 -0.55 8.50 7.90 2ny0A1 CYS 218 HA -0.02 0.21 1.01 -0.75 4.58 5.02 2ny0A1 CYS 218 HB2 -0.12 -0.01 -0.03 -0.04 2.97 2.77 2ny0A1 CYS 218 HB3 -0.06 0.08 -0.00 -0.04 2.97 2.94 2ny0A1 ALA 219 H 0.01 0.37 0.21 -0.55 8.40 8.44 2ny0A1 ALA 219 HA 0.08 0.01 0.31 -0.75 4.34 3.98 2ny0A1 ALA 219 HB3 0.09 0.04 0.06 -0.04 1.41 1.56 2ny0A1 PRO 220 HA -0.00 0.07 0.52 -0.51 4.44 4.52 2ny0A1 PRO 220 HB2 0.10 0.06 -0.01 -0.04 2.28 2.39 2ny0A1 PRO 220 HB3 -0.03 0.03 0.09 -0.04 2.02 2.07 2ny0A1 PRO 220 HG2 0.12 0.01 -0.07 -0.04 2.03 2.06 2ny0A1 PRO 220 HG3 -0.04 0.00 0.01 -0.04 2.03 1.96 2ny0A1 PRO 220 HD2 0.12 0.00 0.09 -0.04 3.68 3.85 2ny0A1 PRO 220 HD3 -0.08 0.24 0.17 -0.04 3.65 3.95 2ny0A1 ALA 221 H 0.05 0.09 0.13 -0.55 8.40 8.13 2ny0A1 ALA 221 HA 0.04 0.02 0.37 -0.75 4.34 4.02 2ny0A1 ALA 221 HB3 0.03 0.01 0.12 -0.04 1.41 1.52 2ny0A1 GLY 222 H 0.00 0.14 0.22 -0.55 8.43 8.24 2ny0A1 GLY 222 HA2 -0.12 0.00 0.36 -0.51 4.01 3.74 2ny0A1 GLY 222 HA3 -0.21 0.11 0.58 -0.51 4.01 3.98 2ny0A1 PHE 223 H 0.15 0.49 -0.02 -0.55 8.34 8.40 2ny0A1 PHE 223 HA 0.02 0.16 1.02 -0.75 4.62 5.07 2ny0A1 PHE 223 HB2 0.04 0.09 -0.08 -0.04 3.15 3.17 2ny0A1 PHE 223 HB3 0.05 -0.08 -0.02 -0.04 3.06 2.97 2ny0A1 PHE 223 HD2 0.03 0.03 -0.47 -0.04 7.28 6.83 2ny0A1 PHE 223 HE2 0.02 -0.02 -0.10 -0.04 7.38 7.24 2ny0A1 PHE 223 HZ 0.02 -0.03 -0.06 -0.04 7.32 7.21 2ny0A1 ALA 224 H 0.22 0.51 0.34 -0.55 8.40 8.93 2ny0A1 ALA 224 HA 0.11 0.19 0.83 -0.75 4.34 4.72 2ny0A1 ALA 224 HB3 0.07 0.01 -0.04 -0.04 1.41 1.41 2ny0A1 ILE 225 H 0.10 0.30 0.20 -0.55 8.25 8.31 2ny0A1 ILE 225 HA 0.12 0.21 0.98 -0.75 4.18 4.74 2ny0A1 ILE 225 HB 0.12 0.15 0.09 -0.04 1.89 2.22 2ny0A1 ILE 225 HG12 0.17 -0.06 -0.19 -0.04 1.49 1.38 2ny0A1 ILE 225 HG13 0.14 -0.09 -0.10 -0.04 1.21 1.11 2ny0A1 ILE 225 HG23 0.17 -0.02 -0.26 -0.04 0.93 0.78 2ny0A1 ILE 225 HD13 0.14 0.05 -0.17 -0.04 0.88 0.85 2ny0A1 LEU 226 H 0.10 0.70 0.40 -0.55 8.37 9.02 2ny0A1 LEU 226 HA 0.12 0.23 0.97 -0.75 4.35 4.92 2ny0A1 LEU 226 HB2 -0.01 0.01 0.09 -0.04 1.64 1.69 2ny0A1 LEU 226 HB3 0.15 -0.01 -0.10 -0.04 1.64 1.64 2ny0A1 LEU 226 HG 0.06 0.02 -0.10 -0.04 1.64 1.58 2ny0A1 LEU 226 HD13 0.06 0.03 -0.28 -0.04 0.93 0.70 2ny0A1 LEU 226 HD23 -0.03 -0.02 -0.12 -0.04 0.89 0.69 2ny0A1 LYS 227 H 0.14 0.66 0.31 -0.55 8.42 8.98 2ny0A1 LYS 227 HA 0.08 0.34 1.08 -0.75 4.32 5.08 2ny0A1 LYS 227 HB2 0.22 -0.03 -0.17 -0.04 1.87 1.86 2ny0A1 LYS 227 HB3 0.09 -0.03 -0.04 -0.04 1.79 1.76 2ny0A1 LYS 227 HG2 -0.13 -0.02 -0.53 -0.04 1.46 0.74 2ny0A1 LYS 227 HG3 -0.39 0.07 -0.09 -0.04 1.46 1.01 2ny0A1 LYS 227 HD2 0.19 -0.03 -0.13 -0.04 1.69 1.68 2ny0A1 LYS 227 HD3 0.05 -0.04 -0.17 -0.04 1.68 1.49 2ny0A1 LYS 227 HE2 -0.09 0.02 -0.16 -0.04 2.99 2.73 2ny0A1 LYS 227 HE3 -0.13 0.02 -0.09 -0.04 2.99 2.75 2ny0A1 CYS 228 H -0.31 0.66 0.26 -0.55 8.50 8.57 2ny0A1 CYS 228 HA -0.34 0.08 0.82 -0.75 4.58 4.39 2ny0A1 CYS 228 HB2 -1.58 0.02 0.02 -0.04 2.97 1.39 2ny0A1 CYS 228 HB3 -0.79 0.04 0.14 -0.04 2.97 2.32 2ny0A1 ASN 229 H -0.22 0.72 0.40 -0.55 8.53 8.89 2ny0A1 ASN 229 HA -0.13 0.19 0.56 -0.75 4.76 4.63 2ny0A1 ASN 229 HB2 -0.09 0.04 0.01 -0.04 2.88 2.80 2ny0A1 ASN 229 HB3 -0.07 -0.05 0.03 -0.04 2.79 2.66 2ny0A1 ASN 229 HD21 -0.02 -0.03 -0.21 -0.04 7.03 6.72 2ny0A1 ASN 229 HD22 -0.05 -0.04 -0.37 -0.04 7.74 7.24 2ny0A1 ASN 230 H -0.25 0.00 -0.06 -0.55 8.53 7.68 2ny0A1 ASN 230 HA -0.08 -0.01 0.44 -0.75 4.76 4.35 2ny0A1 ASN 230 HB2 -0.18 0.01 -0.04 -0.04 2.88 2.63 2ny0A1 ASN 230 HB3 -0.01 -0.00 -0.18 -0.04 2.79 2.56 2ny0A1 ASN 230 HD21 -0.10 -0.08 0.10 -0.04 7.03 6.92 2ny0A1 ASN 230 HD22 -0.03 0.07 0.02 -0.04 7.74 7.76 2ny0A1 LYS 231 H -0.03 0.08 0.18 -0.55 8.42 8.10 2ny0A1 LYS 231 HA -0.02 0.17 0.42 -0.75 4.32 4.13 2ny0A1 LYS 231 HB2 -0.02 -0.05 0.09 -0.04 1.87 1.85 2ny0A1 LYS 231 HB3 -0.02 -0.02 0.06 -0.04 1.79 1.77 2ny0A1 LYS 231 HG2 -0.03 0.09 0.07 -0.04 1.46 1.54 2ny0A1 LYS 231 HG3 -0.03 -0.03 0.12 -0.04 1.46 1.48 2ny0A1 LYS 231 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.61 2ny0A1 LYS 231 HD3 -0.02 0.02 0.00 -0.04 1.68 1.63 2ny0A1 LYS 231 HE2 -0.02 0.03 0.02 -0.04 2.99 2.97 2ny0A1 LYS 231 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.93 2ny0A1 THR 232 H 0.00 0.02 -0.30 -0.55 8.28 7.45 2ny0A1 THR 232 HA -0.02 0.23 0.80 -0.75 4.39 4.65 2ny0A1 THR 232 HB -0.02 -0.03 0.15 -0.04 4.32 4.37 2ny0A1 THR 232 HG23 -0.07 0.02 -0.08 -0.04 1.22 1.04 2ny0A1 PHE 233 H 0.10 0.33 -0.12 -0.55 8.34 8.10 2ny0A1 PHE 233 HA -0.10 0.14 0.87 -0.75 4.62 4.77 2ny0A1 PHE 233 HB2 -0.11 -0.01 -0.12 -0.04 3.15 2.87 2ny0A1 PHE 233 HB3 -0.03 0.10 0.00 -0.04 3.06 3.10 2ny0A1 PHE 233 HD2 -0.13 0.08 -0.04 -0.04 7.28 7.14 2ny0A1 PHE 233 HE2 -0.24 0.16 -0.21 -0.04 7.38 7.05 2ny0A1 PHE 233 HZ -0.03 0.12 -0.41 -0.04 7.32 6.96 2ny0A1 ASN 234 H -0.49 0.20 0.12 -0.55 8.53 7.81 2ny0A1 ASN 234 HA -0.55 0.22 0.59 -0.75 4.76 4.27 2ny0A1 ASN 234 HB2 -0.26 0.01 0.20 -0.04 2.88 2.79 2ny0A1 ASN 234 HB3 -0.23 0.05 0.06 -0.04 2.79 2.63 2ny0A1 ASN 234 HD21 -0.07 0.03 0.04 -0.04 7.03 6.99 2ny0A1 ASN 234 HD22 -0.09 0.02 0.05 -0.04 7.74 7.68 2ny0A1 GLY 235 H -2.00 0.05 -0.41 -0.55 8.43 5.52 2ny0A1 GLY 235 HA2 -0.40 0.16 0.22 -0.51 4.01 3.49 2ny0A1 GLY 235 HA3 -0.75 0.08 0.36 -0.51 4.01 3.18 2ny0A1 THR 236 H -0.46 0.10 -0.48 -0.55 8.28 6.90 2ny0A1 THR 236 HA 0.20 0.35 0.95 -0.75 4.39 5.13 2ny0A1 THR 236 HB 0.11 -0.00 0.05 -0.04 4.32 4.44 2ny0A1 THR 236 HG23 0.33 -0.01 -0.07 -0.04 1.22 1.44 2ny0A1 GLY 237 H 0.18 0.27 0.24 -0.55 8.43 8.57 2ny0A1 GLY 237 HA2 0.13 -0.00 0.36 -0.51 4.01 3.98 2ny0A1 GLY 237 HA3 0.13 0.17 0.68 -0.51 4.01 4.48 2ny0A1 PRO 238 HA 0.18 0.22 0.55 -0.51 4.44 4.88 2ny0A1 PRO 238 HB2 0.07 0.02 -0.16 -0.04 2.28 2.17 2ny0A1 PRO 238 HB3 0.09 0.02 -0.05 -0.04 2.02 2.03 2ny0A1 PRO 238 HG2 0.07 0.02 0.08 -0.04 2.03 2.16 2ny0A1 PRO 238 HG3 0.07 0.04 0.05 -0.04 2.03 2.14 2ny0A1 PRO 238 HD2 0.11 0.13 0.24 -0.04 3.68 4.12 2ny0A1 PRO 238 HD3 0.10 0.08 0.20 -0.04 3.65 3.98 2ny0A1 CYS 239 H 0.14 0.83 0.26 -0.55 8.50 9.19 2ny0A1 CYS 239 HA -0.17 0.09 0.87 -0.75 4.58 4.62 2ny0A1 CYS 239 HB2 -0.92 0.05 -0.06 -0.04 2.97 2.00 2ny0A1 CYS 239 HB3 -0.16 0.05 0.06 -0.04 2.97 2.88 2ny0A1 THR 240 H -0.08 0.13 0.09 -0.55 8.28 7.88 2ny0A1 THR 240 HA -0.01 0.17 0.57 -0.75 4.39 4.37 2ny0A1 THR 240 HB -0.02 0.02 -0.03 -0.04 4.32 4.25 2ny0A1 THR 240 HG23 0.00 0.01 -0.06 -0.04 1.22 1.13 2ny0A1 ASN 241 H -0.11 -0.02 -0.01 -0.55 8.53 7.85 2ny0A1 ASN 241 HA -0.04 0.28 0.92 -0.75 4.76 5.16 2ny0A1 ASN 241 HB2 -0.06 0.01 0.03 -0.04 2.88 2.81 2ny0A1 ASN 241 HB3 -0.10 -0.14 0.16 -0.04 2.79 2.67 2ny0A1 ASN 241 HD21 -0.04 0.04 -0.06 -0.04 7.03 6.94 2ny0A1 ASN 241 HD22 -0.05 -0.04 -0.06 -0.04 7.74 7.55 2ny0A1 VAL 242 H -0.02 0.43 0.14 -0.55 8.24 8.24 2ny0A1 VAL 242 HA -0.05 0.24 1.14 -0.75 4.13 4.70 2ny0A1 VAL 242 HB 0.03 -0.05 -0.16 -0.04 2.12 1.90 2ny0A1 VAL 242 HG13 0.04 -0.04 -0.15 -0.04 0.97 0.78 2ny0A1 VAL 242 HG23 0.11 -0.01 -0.20 -0.04 0.95 0.81 2ny0A1 SER 243 H 0.02 0.56 0.34 -0.55 8.46 8.83 2ny0A1 SER 243 HA 0.03 0.09 1.00 -0.75 4.49 4.85 2ny0A1 SER 243 HB2 0.03 0.14 -0.10 -0.04 3.95 3.98 2ny0A1 SER 243 HB3 0.01 -0.13 -0.08 -0.04 3.93 3.70 2ny0A1 THR 244 H 0.04 0.53 0.32 -0.55 8.28 8.62 2ny0A1 THR 244 HA 0.08 0.28 1.08 -0.75 4.39 5.07 2ny0A1 THR 244 HB 0.04 -0.05 0.09 -0.04 4.32 4.36 2ny0A1 THR 244 HG23 0.06 0.01 -0.04 -0.04 1.22 1.21 2ny0A1 VAL 245 H 0.10 0.56 0.28 -0.55 8.24 8.63 2ny0A1 VAL 245 HA 0.07 0.17 0.97 -0.75 4.13 4.59 2ny0A1 VAL 245 HB 0.10 0.04 0.02 -0.04 2.12 2.24 2ny0A1 VAL 245 HG13 0.12 0.02 -0.31 -0.04 0.97 0.75 2ny0A1 VAL 245 HG23 0.18 0.00 -0.29 -0.04 0.95 0.81 2ny0A1 GLN 246 H 0.05 0.16 0.16 -0.55 8.47 8.29 2ny0A1 GLN 246 HA 0.03 0.05 0.58 -0.75 4.36 4.27 2ny0A1 GLN 246 HB2 0.02 -0.04 0.22 -0.04 2.15 2.31 2ny0A1 GLN 246 HB3 0.00 0.01 0.03 -0.04 2.02 2.02 2ny0A1 GLN 246 HG2 0.02 -0.02 0.08 -0.04 2.40 2.45 2ny0A1 GLN 246 HG3 0.01 0.03 0.07 -0.04 2.39 2.46 2ny0A1 GLN 246 HE21 0.01 -0.01 0.01 -0.04 6.97 6.93 2ny0A1 GLN 246 HE22 0.01 0.01 0.00 -0.04 7.69 7.67 2ny0A1 CYS 247 H 0.03 0.16 0.09 -0.55 8.50 8.24 2ny0A1 CYS 247 HA 0.03 0.19 0.90 -0.75 4.58 4.95 2ny0A1 CYS 247 HB2 0.01 0.06 -0.07 -0.04 2.97 2.93 2ny0A1 CYS 247 HB3 0.03 -0.01 -0.16 -0.04 2.97 2.79 2ny0A1 THR 248 H -0.04 0.48 0.21 -0.55 8.28 8.38 2ny0A1 THR 248 HA -0.32 0.07 0.50 -0.75 4.39 3.89 2ny0A1 THR 248 HB -0.77 -0.01 0.15 -0.04 4.32 3.65 2ny0A1 THR 248 HG23 -0.54 0.06 0.05 -0.04 1.22 0.75 2ny0A1 HIS 249 H 0.23 0.08 0.09 -0.55 8.41 8.27 2ny0A1 HIS 249 HA 0.11 0.09 0.55 -0.75 4.63 4.63 2ny0A1 HIS 249 HB2 0.06 -0.01 0.09 -0.04 3.26 3.36 2ny0A1 HIS 249 HB3 0.13 0.01 0.08 -0.04 3.20 3.38 2ny0A1 HIS 249 HD2 0.03 0.19 -0.22 -0.04 6.97 6.92 2ny0A1 HIS 249 HE1 0.20 0.25 0.03 -0.04 7.75 8.19 2ny0A1 GLY 250 H 0.07 0.09 0.04 -0.55 8.43 8.09 2ny0A1 GLY 250 HA2 -0.71 0.10 0.17 -0.51 4.01 3.06 2ny0A1 GLY 250 HA3 -0.29 -0.00 0.18 -0.51 4.01 3.39 2ny0A1 ILE 251 H -0.31 0.78 0.28 -0.55 8.25 8.45 2ny0A1 ILE 251 HA -0.05 0.13 0.80 -0.75 4.18 4.31 2ny0A1 ILE 251 HB -0.16 -0.04 0.04 -0.04 1.89 1.69 2ny0A1 ILE 251 HG12 -0.32 0.22 0.13 -0.04 1.49 1.47 2ny0A1 ILE 251 HG13 -0.18 -0.11 -0.04 -0.04 1.21 0.85 2ny0A1 ILE 251 HG23 0.05 0.01 -0.15 -0.04 0.93 0.80 2ny0A1 ILE 251 HD13 -0.49 -0.02 -0.21 -0.04 0.88 0.12 2ny0A1 ARG 252 H 0.04 0.21 0.12 -0.55 8.46 8.28 2ny0A1 ARG 252 HA -0.03 0.19 0.70 -0.75 4.34 4.45 2ny0A1 ARG 252 HB2 0.05 0.04 0.14 -0.04 1.90 2.09 2ny0A1 ARG 252 HB3 0.01 0.00 -0.02 -0.04 1.80 1.75 2ny0A1 ARG 252 HG2 -0.02 -0.06 -0.14 -0.04 1.67 1.41 2ny0A1 ARG 252 HG3 0.02 0.14 0.10 -0.04 1.67 1.89 2ny0A1 ARG 252 HD2 -0.00 -0.01 0.08 -0.04 3.22 3.24 2ny0A1 ARG 252 HD3 -0.03 0.06 -0.01 -0.04 3.22 3.20 2ny0A1 PRO 253 HA -0.02 0.08 0.31 -0.51 4.44 4.30 2ny0A1 PRO 253 HB2 0.13 -0.01 0.15 -0.04 2.28 2.52 2ny0A1 PRO 253 HB3 -0.15 0.00 0.04 -0.04 2.02 1.88 2ny0A1 PRO 253 HG2 0.06 -0.04 -0.01 -0.04 2.03 2.00 2ny0A1 PRO 253 HG3 0.01 0.09 0.05 -0.04 2.03 2.13 2ny0A1 PRO 253 HD2 -0.03 0.07 -0.04 -0.04 3.68 3.65 2ny0A1 PRO 253 HD3 -0.06 0.31 0.25 -0.04 3.65 4.12 2ny0A1 VAL 254 H 0.23 0.57 -0.22 -0.55 8.24 8.28 2ny0A1 VAL 254 HA 0.17 0.05 0.48 -0.75 4.13 4.06 2ny0A1 VAL 254 HB 0.11 0.03 0.09 -0.04 2.12 2.30 2ny0A1 VAL 254 HG13 0.02 -0.03 -0.22 -0.04 0.97 0.69 2ny0A1 VAL 254 HG23 0.04 0.01 -0.11 -0.04 0.95 0.84 2ny0A1 VAL 255 H 0.18 0.16 0.18 -0.55 8.24 8.21 2ny0A1 VAL 255 HA -0.31 0.13 0.93 -0.75 4.13 4.13 2ny0A1 VAL 255 HB 0.08 -0.03 0.17 -0.04 2.12 2.30 2ny0A1 VAL 255 HG13 -0.89 -0.01 -0.14 -0.04 0.97 -0.12 2ny0A1 VAL 255 HG23 -1.13 0.03 -0.09 -0.04 0.95 -0.27 2ny0A1 SER 256 H -0.16 0.26 0.17 -0.55 8.46 8.17 2ny0A1 SER 256 HA -0.16 0.26 0.81 -0.75 4.49 4.64 2ny0A1 SER 256 HB2 0.09 0.11 0.19 -0.04 3.95 4.30 2ny0A1 SER 256 HB3 -0.01 -0.09 -0.23 -0.04 3.93 3.56 2ny0A1 SER 257 H 0.27 0.56 0.42 -0.55 8.46 9.17 2ny0A1 SER 257 HA 0.14 0.01 0.94 -0.75 4.49 4.83 2ny0A1 SER 257 HB2 0.16 0.06 0.12 -0.04 3.95 4.24 2ny0A1 SER 257 HB3 0.30 -0.04 0.07 -0.04 3.93 4.22 2ny0A1 GLN 258 H 0.11 0.45 0.31 -0.55 8.47 8.78 2ny0A1 GLN 258 HA 0.08 0.10 0.54 -0.75 4.36 4.32 2ny0A1 GLN 258 HB2 0.26 0.05 0.06 -0.04 2.15 2.48 2ny0A1 GLN 258 HB3 0.14 -0.07 0.03 -0.04 2.02 2.08 2ny0A1 GLN 258 HG2 0.08 0.17 -0.13 -0.04 2.40 2.49 2ny0A1 GLN 258 HG3 0.21 0.01 -0.37 -0.04 2.39 2.20 2ny0A1 GLN 258 HE21 0.11 0.06 -0.35 -0.04 6.97 6.74 2ny0A1 GLN 258 HE22 0.08 0.42 -0.36 -0.04 7.69 7.80 2ny0A1 LEU 259 H 0.19 0.78 0.18 -0.55 8.37 8.97 2ny0A1 LEU 259 HA 0.07 0.18 1.08 -0.75 4.35 4.93 2ny0A1 LEU 259 HB2 -0.31 -0.01 0.01 -0.04 1.64 1.29 2ny0A1 LEU 259 HB3 -0.11 0.02 0.00 -0.04 1.64 1.50 2ny0A1 LEU 259 HG -0.25 -0.05 -0.13 -0.04 1.64 1.17 2ny0A1 LEU 259 HD13 -0.78 -0.01 -0.08 -0.04 0.93 0.02 2ny0A1 LEU 259 HD23 0.14 0.04 -0.07 -0.04 0.89 0.96 2ny0A1 LEU 260 H 0.05 0.56 0.04 -0.55 8.37 8.47 2ny0A1 LEU 260 HA 0.03 0.15 0.69 -0.75 4.35 4.47 2ny0A1 LEU 260 HB2 0.05 -0.12 0.05 -0.04 1.64 1.57 2ny0A1 LEU 260 HB3 0.05 0.07 -0.07 -0.04 1.64 1.65 2ny0A1 LEU 260 HG 0.05 -0.07 -0.42 -0.04 1.64 1.15 2ny0A1 LEU 260 HD13 0.06 0.02 -0.10 -0.04 0.93 0.87 2ny0A1 LEU 260 HD23 0.00 0.02 -0.17 -0.04 0.89 0.70 2ny0A1 LEU 261 H 0.02 0.25 0.11 -0.55 8.37 8.20 2ny0A1 LEU 261 HA -0.01 0.29 0.95 -0.75 4.35 4.82 2ny0A1 LEU 261 HB2 -0.03 0.02 -0.02 -0.04 1.64 1.57 2ny0A1 LEU 261 HB3 -0.07 -0.05 -0.06 -0.04 1.64 1.42 2ny0A1 LEU 261 HG -0.01 0.08 -0.34 -0.04 1.64 1.33 2ny0A1 LEU 261 HD13 -0.17 0.00 -0.13 -0.04 0.93 0.59 2ny0A1 LEU 261 HD23 -0.13 -0.01 -0.31 -0.04 0.89 0.41 2ny0A1 ASN 262 H -0.01 0.54 0.32 -0.55 8.53 8.84 2ny0A1 ASN 262 HA 0.00 -0.01 0.38 -0.75 4.76 4.38 2ny0A1 ASN 262 HB2 0.00 0.15 -0.06 -0.04 2.88 2.94 2ny0A1 ASN 262 HB3 -0.00 0.03 0.23 -0.04 2.79 3.01 2ny0A1 ASN 262 HD21 -0.05 0.01 -0.01 -0.04 7.03 6.94 2ny0A1 ASN 262 HD22 -0.03 0.06 -0.05 -0.04 7.74 7.68 2ny0A1 GLY 263 H 0.04 -0.04 -0.42 -0.55 8.43 7.46 2ny0A1 GLY 263 HA2 0.09 0.16 0.60 -0.51 4.01 4.35 2ny0A1 GLY 263 HA3 0.08 -0.00 0.18 -0.51 4.01 3.76 2ny0A1 SER 264 H 0.11 0.14 0.08 -0.55 8.46 8.25 2ny0A1 SER 264 HA 0.03 0.12 0.81 -0.75 4.49 4.70 2ny0A1 SER 264 HB2 0.09 0.03 0.08 -0.04 3.95 4.10 2ny0A1 SER 264 HB3 -0.01 0.10 0.01 -0.04 3.93 4.00 2ny0A1 LEU 265 H 0.00 0.09 0.11 -0.55 8.37 8.03 2ny0A1 LEU 265 HA 0.00 0.25 0.75 -0.75 4.35 4.60 2ny0A1 LEU 265 HB2 -0.01 -0.05 -0.03 -0.04 1.64 1.51 2ny0A1 LEU 265 HB3 -0.01 0.13 -0.06 -0.04 1.64 1.66 2ny0A1 LEU 265 HG 0.00 -0.04 -0.19 -0.04 1.64 1.37 2ny0A1 LEU 265 HD13 -0.01 0.00 -0.12 -0.04 0.93 0.77 2ny0A1 LEU 265 HD23 -0.00 -0.02 -0.39 -0.04 0.89 0.43 2ny0A1 ALA 266 H -0.02 0.61 0.08 -0.55 8.40 8.52 2ny0A1 ALA 266 HA -0.01 0.04 0.58 -0.75 4.34 4.19 2ny0A1 ALA 266 HB3 -0.05 -0.04 -0.10 -0.04 1.41 1.18 2ny0A1 GLU 267 H -0.02 0.19 0.19 -0.55 8.60 8.42 2ny0A1 GLU 267 HA -0.02 0.08 0.32 -0.75 4.29 3.92 2ny0A1 GLU 267 HB2 -0.02 -0.00 0.14 -0.04 2.09 2.16 2ny0A1 GLU 267 HB3 -0.02 -0.04 0.08 -0.04 1.99 1.96 2ny0A1 GLU 267 HG2 -0.02 0.04 0.06 -0.04 2.34 2.38 2ny0A1 GLU 267 HG3 -0.02 0.07 0.14 -0.04 2.34 2.50 2ny0A1 GLU 268 H -0.03 0.03 -0.35 -0.55 8.60 7.70 2ny0A1 GLU 268 HA -0.03 0.21 0.86 -0.75 4.29 4.59 2ny0A1 GLU 268 HB2 -0.04 -0.05 0.10 -0.04 2.09 2.07 2ny0A1 GLU 268 HB3 -0.03 0.00 0.04 -0.04 1.99 1.95 2ny0A1 GLU 268 HG2 -0.03 0.07 -0.13 -0.04 2.34 2.21 2ny0A1 GLU 268 HG3 -0.03 -0.05 -0.24 -0.04 2.34 1.98 2ny0A1 GLU 269 H -0.05 0.07 0.06 -0.55 8.60 8.14 2ny0A1 GLU 269 HA -0.05 0.18 0.84 -0.75 4.29 4.50 2ny0A1 GLU 269 HB2 -0.06 0.02 0.03 -0.04 2.09 2.04 2ny0A1 GLU 269 HB3 -0.06 0.01 0.13 -0.04 1.99 2.03 2ny0A1 GLU 269 HG2 -0.04 0.05 -0.06 -0.04 2.34 2.24 2ny0A1 GLU 269 HG3 -0.04 -0.08 -0.09 -0.04 2.34 2.09 2ny0A1 VAL 270 H -0.07 0.06 0.13 -0.55 8.24 7.81 2ny0A1 VAL 270 HA -0.07 0.19 0.57 -0.75 4.13 4.07 2ny0A1 VAL 270 HB -0.09 0.00 0.07 -0.04 2.12 2.06 2ny0A1 VAL 270 HG13 -0.09 0.02 -0.25 -0.04 0.97 0.60 2ny0A1 VAL 270 HG23 -0.10 -0.04 0.07 -0.04 0.95 0.83 2ny0A1 VAL 271 H -0.08 0.56 0.36 -0.55 8.24 8.53 2ny0A1 VAL 271 HA -0.10 0.15 0.92 -0.75 4.13 4.35 2ny0A1 VAL 271 HB -0.16 -0.02 0.11 -0.04 2.12 2.02 2ny0A1 VAL 271 HG13 -0.21 -0.00 -0.18 -0.04 0.97 0.53 2ny0A1 VAL 271 HG23 -0.11 0.05 -0.12 -0.04 0.95 0.73 2ny0A1 ILE 272 H -0.06 0.21 0.13 -0.55 8.25 7.97 2ny0A1 ILE 272 HA -0.00 0.35 1.08 -0.75 4.18 4.85 2ny0A1 ILE 272 HB 0.14 0.02 -0.06 -0.04 1.89 1.94 2ny0A1 ILE 272 HG12 0.13 -0.01 -0.14 -0.04 1.49 1.42 2ny0A1 ILE 272 HG13 0.09 -0.00 -0.17 -0.04 1.21 1.09 2ny0A1 ILE 272 HG23 -0.03 -0.01 -0.24 -0.04 0.93 0.61 2ny0A1 ILE 272 HD13 -0.12 -0.02 -0.14 -0.04 0.88 0.57 2ny0A1 ARG 273 H 0.05 0.73 0.32 -0.55 8.46 9.01 2ny0A1 ARG 273 HA 0.05 0.17 0.95 -0.75 4.34 4.75 2ny0A1 ARG 273 HB2 -0.17 -0.04 0.02 -0.04 1.90 1.67 2ny0A1 ARG 273 HB3 -0.56 -0.00 0.00 -0.04 1.80 1.20 2ny0A1 ARG 273 HG2 -0.46 0.05 -0.17 -0.04 1.67 1.05 2ny0A1 ARG 273 HG3 -0.32 -0.04 -0.42 -0.04 1.67 0.85 2ny0A1 ARG 273 HD2 -0.69 0.01 -0.13 -0.04 3.22 2.37 2ny0A1 ARG 273 HD3 -1.43 -0.02 -0.12 -0.04 3.22 1.61 2ny0A1 SER 274 H -0.10 0.34 0.22 -0.55 8.46 8.37 2ny0A1 SER 274 HA -0.01 0.18 0.46 -0.75 4.49 4.37 2ny0A1 SER 274 HB2 -0.56 0.17 0.00 -0.04 3.95 3.52 2ny0A1 SER 274 HB3 -2.02 -0.07 -0.12 -0.04 3.93 1.68 2ny0A1 CYS 275 H -0.16 0.24 0.11 -0.55 8.50 8.15 2ny0A1 CYS 275 HA -0.12 0.14 0.65 -0.75 4.58 4.50 2ny0A1 CYS 275 HB2 -0.21 0.01 0.09 -0.04 2.97 2.82 2ny0A1 CYS 275 HB3 -0.22 0.02 0.13 -0.04 2.97 2.85 2ny0A1 ASN 276 H -0.19 0.10 -0.38 -0.55 8.53 7.52 2ny0A1 ASN 276 HA -0.00 0.07 0.37 -0.75 4.76 4.45 2ny0A1 ASN 276 HB2 -0.04 0.25 -0.04 -0.04 2.88 3.01 2ny0A1 ASN 276 HB3 -0.03 -0.03 0.08 -0.04 2.79 2.78 2ny0A1 ASN 276 HD21 0.01 0.02 -0.02 -0.04 7.03 7.01 2ny0A1 ASN 276 HD22 -0.01 0.03 0.01 -0.04 7.74 7.73 2ny0A1 PHE 277 H 0.11 0.22 0.03 -0.55 8.34 8.15 2ny0A1 PHE 277 HA 0.16 0.15 0.33 -0.75 4.62 4.50 2ny0A1 PHE 277 HB2 -0.02 -0.03 0.07 -0.04 3.15 3.13 2ny0A1 PHE 277 HB3 -0.04 0.10 -0.06 -0.04 3.06 3.02 2ny0A1 PHE 277 HD2 0.13 0.01 -0.03 -0.04 7.28 7.36 2ny0A1 PHE 277 HE2 0.04 0.02 -0.11 -0.04 7.38 7.30 2ny0A1 PHE 277 HZ -0.02 0.11 -0.45 -0.04 7.32 6.92 2ny0A1 THR 278 H 0.16 -0.00 -0.25 -0.55 8.28 7.64 2ny0A1 THR 278 HA 0.18 0.15 0.41 -0.75 4.39 4.37 2ny0A1 THR 278 HB 0.07 -0.02 -0.05 -0.04 4.32 4.28 2ny0A1 THR 278 HG23 0.06 0.00 0.03 -0.04 1.22 1.28 2ny0A1 ASP 279 H 0.08 0.23 -0.45 -0.55 8.40 7.71 2ny0A1 ASP 279 HA 0.03 0.08 0.74 -0.75 4.63 4.73 2ny0A1 ASP 279 HB2 0.01 -0.02 0.05 -0.04 2.71 2.71 2ny0A1 ASP 279 HB3 0.01 0.10 0.18 -0.04 2.70 2.95 2ny0A1 ASN 280 H 0.02 0.16 0.18 -0.55 8.53 8.34 2ny0A1 ASN 280 HA 0.02 0.12 0.32 -0.75 4.76 4.46 2ny0A1 ASN 280 HB2 -0.05 0.42 0.00 -0.04 2.88 3.22 2ny0A1 ASN 280 HB3 -0.03 -0.11 -0.01 -0.04 2.79 2.60 2ny0A1 ASN 280 HD21 -0.02 -0.10 0.05 -0.04 7.03 6.92 2ny0A1 ASN 280 HD22 -0.04 0.06 0.17 -0.04 7.74 7.89 2ny0A1 ALA 281 H 0.00 -0.08 -0.49 -0.55 8.40 7.28 2ny0A1 ALA 281 HA -0.01 0.21 0.63 -0.75 4.34 4.42 2ny0A1 ALA 281 HB3 -0.01 -0.02 0.02 -0.04 1.41 1.36 2ny0A1 LYS 282 H 0.00 0.38 -0.16 -0.55 8.42 8.09 2ny0A1 LYS 282 HA -0.03 0.02 0.71 -0.75 4.32 4.25 2ny0A1 LYS 282 HB2 -0.03 0.28 0.13 -0.04 1.87 2.22 2ny0A1 LYS 282 HB3 -0.07 -0.09 0.03 -0.04 1.79 1.61 2ny0A1 LYS 282 HG2 -0.03 -0.07 -0.00 -0.04 1.46 1.32 2ny0A1 LYS 282 HG3 -0.06 -0.05 -0.02 -0.04 1.46 1.28 2ny0A1 LYS 282 HD2 -0.08 -0.03 0.05 -0.04 1.69 1.58 2ny0A1 LYS 282 HD3 -0.05 0.03 -0.10 -0.04 1.68 1.53 2ny0A1 LYS 282 HE2 -0.05 -0.00 -0.04 -0.04 2.99 2.85 2ny0A1 LYS 282 HE3 -0.09 -0.01 -0.03 -0.04 2.99 2.82 2ny0A1 THR 283 H -0.03 0.01 0.19 -0.55 8.28 7.90 2ny0A1 THR 283 HA 0.03 0.20 0.46 -0.75 4.39 4.33 2ny0A1 THR 283 HB -0.01 -0.07 0.10 -0.04 4.32 4.29 2ny0A1 THR 283 HG23 0.03 -0.01 -0.13 -0.04 1.22 1.08 2ny0A1 ILE 284 H 0.09 0.86 0.42 -0.55 8.25 9.07 2ny0A1 ILE 284 HA 0.06 0.25 1.05 -0.75 4.18 4.79 2ny0A1 ILE 284 HB 0.21 -0.07 0.07 -0.04 1.89 2.05 2ny0A1 ILE 284 HG12 0.22 -0.02 -0.09 -0.04 1.49 1.56 2ny0A1 ILE 284 HG13 0.19 0.12 -0.10 -0.04 1.21 1.38 2ny0A1 ILE 284 HG23 0.28 -0.01 -0.25 -0.04 0.93 0.91 2ny0A1 ILE 284 HD13 0.57 -0.01 -0.12 -0.04 0.88 1.28 2ny0A1 ILE 285 H 0.11 0.65 0.26 -0.55 8.25 8.71 2ny0A1 ILE 285 HA 0.07 0.19 0.89 -0.75 4.18 4.58 2ny0A1 ILE 285 HB 0.11 -0.05 0.10 -0.04 1.89 2.01 2ny0A1 ILE 285 HG12 0.09 -0.01 -0.10 -0.04 1.49 1.43 2ny0A1 ILE 285 HG13 0.14 -0.04 -0.16 -0.04 1.21 1.11 2ny0A1 ILE 285 HG23 0.05 0.01 -0.19 -0.04 0.93 0.76 2ny0A1 ILE 285 HD13 0.29 -0.02 -0.09 -0.04 0.88 1.02 2ny0A1 VAL 286 H 0.05 0.75 0.42 -0.55 8.24 8.92 2ny0A1 VAL 286 HA -0.00 0.29 1.13 -0.75 4.13 4.79 2ny0A1 VAL 286 HB 0.03 -0.18 0.15 -0.04 2.12 2.08 2ny0A1 VAL 286 HG13 -0.04 0.00 -0.20 -0.04 0.97 0.69 2ny0A1 VAL 286 HG23 0.05 0.03 -0.19 -0.04 0.95 0.79 2ny0A1 GLN 287 H -0.06 0.85 0.37 -0.55 8.47 9.09 2ny0A1 GLN 287 HA -0.01 0.22 1.11 -0.75 4.36 4.92 2ny0A1 GLN 287 HB2 -0.09 -0.01 0.00 -0.04 2.15 2.02 2ny0A1 GLN 287 HB3 -0.09 -0.12 0.22 -0.04 2.02 1.99 2ny0A1 GLN 287 HG2 -0.02 -0.04 -0.03 -0.04 2.40 2.26 2ny0A1 GLN 287 HG3 0.01 0.16 0.11 -0.04 2.39 2.63 2ny0A1 GLN 287 HE21 0.15 -0.05 -0.21 -0.04 6.97 6.81 2ny0A1 GLN 287 HE22 0.07 0.27 -0.37 -0.04 7.69 7.61 2ny0A1 LEU 288 H -0.02 0.64 0.22 -0.55 8.37 8.67 2ny0A1 LEU 288 HA -0.06 0.00 0.57 -0.75 4.35 4.10 2ny0A1 LEU 288 HB2 -0.02 0.05 -0.11 -0.04 1.64 1.53 2ny0A1 LEU 288 HB3 -0.05 -0.02 0.07 -0.04 1.64 1.60 2ny0A1 LEU 288 HG -0.01 0.01 -0.40 -0.04 1.64 1.20 2ny0A1 LEU 288 HD13 0.02 0.03 -0.25 -0.04 0.93 0.68 2ny0A1 LEU 288 HD23 -0.11 -0.01 -0.18 -0.04 0.89 0.55 2ny0A1 ASN 289 H -0.06 0.07 0.12 -0.55 8.53 8.13 2ny0A1 ASN 289 HA -0.03 0.26 0.84 -0.75 4.76 5.08 2ny0A1 ASN 289 HB2 -0.03 0.21 -0.03 -0.04 2.88 2.98 2ny0A1 ASN 289 HB3 -0.05 -0.06 -0.43 -0.04 2.79 2.21 2ny0A1 ASN 289 HD21 -0.05 -0.13 0.04 -0.04 7.03 6.86 2ny0A1 ASN 289 HD22 -0.04 0.79 0.28 -0.04 7.74 8.73 2ny0A1 THR 290 H -0.04 0.07 -0.01 -0.55 8.28 7.75 2ny0A1 THR 290 HA -0.02 0.15 0.73 -0.75 4.39 4.51 2ny0A1 THR 290 HB -0.04 -0.07 0.05 -0.04 4.32 4.22 2ny0A1 THR 290 HG23 -0.02 0.02 -0.12 -0.04 1.22 1.07 2ny0A1 SER 291 H -0.01 0.12 0.05 -0.55 8.46 8.07 2ny0A1 SER 291 HA 0.01 0.30 0.55 -0.75 4.49 4.59 2ny0A1 SER 291 HB2 0.00 -0.06 -0.11 -0.04 3.95 3.75 2ny0A1 SER 291 HB3 0.00 0.03 -0.05 -0.04 3.93 3.88 2ny0A1 VAL 292 H 0.04 0.55 0.28 -0.55 8.24 8.55 2ny0A1 VAL 292 HA 0.04 0.10 0.91 -0.75 4.13 4.44 2ny0A1 VAL 292 HB 0.20 -0.00 0.14 -0.04 2.12 2.42 2ny0A1 VAL 292 HG13 0.21 0.01 -0.13 -0.04 0.97 1.02 2ny0A1 VAL 292 HG23 0.11 0.03 -0.17 -0.04 0.95 0.87 2ny0A1 GLU 293 H 0.01 0.10 0.16 -0.55 8.60 8.32 2ny0A1 GLU 293 HA -0.03 0.20 0.61 -0.75 4.29 4.32 2ny0A1 GLU 293 HB2 -0.01 -0.09 0.13 -0.04 2.09 2.08 2ny0A1 GLU 293 HB3 -0.03 0.04 0.00 -0.04 1.99 1.96 2ny0A1 GLU 293 HG2 -0.01 0.02 -0.02 -0.04 2.34 2.28 2ny0A1 GLU 293 HG3 -0.02 0.03 -0.05 -0.04 2.34 2.27 2ny0A1 ILE 294 H -0.08 0.64 0.34 -0.55 8.25 8.60 2ny0A1 ILE 294 HA -0.11 0.33 0.83 -0.75 4.18 4.49 2ny0A1 ILE 294 HB -0.20 0.04 -0.06 -0.04 1.89 1.64 2ny0A1 ILE 294 HG12 -0.16 -0.05 -0.30 -0.04 1.49 0.94 2ny0A1 ILE 294 HG13 -0.14 0.06 -0.15 -0.04 1.21 0.94 2ny0A1 ILE 294 HG23 -0.19 -0.02 -0.04 -0.04 0.93 0.65 2ny0A1 ILE 294 HD13 -0.22 -0.00 -0.15 -0.04 0.88 0.47 2ny0A1 ASN 295 H -0.06 0.67 0.28 -0.55 8.53 8.87 2ny0A1 ASN 295 HA -0.07 0.16 1.02 -0.75 4.76 5.12 2ny0A1 ASN 295 HB2 -0.01 -0.05 0.18 -0.04 2.88 2.96 2ny0A1 ASN 295 HB3 -0.02 0.04 -0.02 -0.04 2.79 2.74 2ny0A1 ASN 295 HD21 -0.01 0.00 -0.06 -0.04 7.03 6.91 2ny0A1 ASN 295 HD22 -0.00 -0.01 -0.05 -0.04 7.74 7.64 2ny0A1 CYS 296 H -0.09 0.50 0.27 -0.55 8.50 8.63 2ny0A1 CYS 296 HA -0.04 0.29 1.24 -0.75 4.58 5.32 2ny0A1 CYS 296 HB2 -0.20 0.01 0.01 -0.04 2.97 2.75 2ny0A1 CYS 296 HB3 -0.01 0.04 -0.07 -0.04 2.97 2.89 2ny0A1 THR 297 H -0.06 0.67 0.37 -0.55 8.28 8.71 2ny0A1 THR 297 HA 0.04 0.32 1.02 -0.75 4.39 5.02 2ny0A1 THR 297 HB -0.09 0.05 -0.03 -0.04 4.32 4.21 2ny0A1 THR 297 HG23 -0.50 -0.01 0.01 -0.04 1.22 0.67 2ny0A1 GLY 298 H 0.13 0.67 0.23 -0.55 8.43 8.91 2ny0A1 GLY 298 HA2 -0.03 0.08 0.43 -0.51 4.01 3.97 2ny0A1 GLY 298 HA3 0.03 0.03 0.34 -0.51 4.01 3.91 2ny0A1 ALA 299 H 0.01 0.01 -0.49 -0.55 8.40 7.39 2ny0A1 ALA 299 HA 0.02 0.16 0.60 -0.75 4.34 4.36 2ny0A1 ALA 299 HB3 0.04 0.00 0.05 -0.04 1.41 1.46 2ny0A1 GLY 329 H 0.03 0.32 -0.31 -0.55 8.43 7.93 2ny0A1 GLY 329 HA2 0.06 0.02 0.07 -0.51 4.01 3.66 2ny0A1 GLY 329 HA3 0.09 0.21 0.60 -0.51 4.01 4.40 2ny0A1 HIS 330 H -0.08 0.20 0.20 -0.55 8.41 8.18 2ny0A1 HIS 330 HA 0.12 0.20 0.62 -0.75 4.63 4.81 2ny0A1 HIS 330 HB2 0.05 0.07 0.02 -0.04 3.26 3.36 2ny0A1 HIS 330 HB3 0.06 0.11 -0.14 -0.04 3.20 3.18 2ny0A1 HIS 330 HD2 0.03 0.00 -0.34 -0.04 6.97 6.61 2ny0A1 HIS 330 HE1 0.03 0.01 -0.12 -0.04 7.75 7.62 2ny0A1 CYS 331 H 0.18 0.61 0.28 -0.55 8.50 9.02 2ny0A1 CYS 331 HA 0.04 0.28 0.91 -0.75 4.58 5.06 2ny0A1 CYS 331 HB2 0.07 -0.03 0.01 -0.04 2.97 2.98 2ny0A1 CYS 331 HB3 -0.01 0.01 -0.18 -0.04 2.97 2.74 2ny0A1 ASN 332 H 0.03 0.80 0.35 -0.55 8.53 9.16 2ny0A1 ASN 332 HA 0.02 0.36 1.12 -0.75 4.76 5.50 2ny0A1 ASN 332 HB2 0.04 -0.03 0.13 -0.04 2.88 2.98 2ny0A1 ASN 332 HB3 0.02 -0.04 -0.05 -0.04 2.79 2.67 2ny0A1 ASN 332 HD21 0.15 0.01 -0.11 -0.04 7.03 7.04 2ny0A1 ASN 332 HD22 0.08 -0.02 -0.07 -0.04 7.74 7.69 2ny0A1 ILE 333 H -0.06 0.70 0.36 -0.55 8.25 8.70 2ny0A1 ILE 333 HA -0.07 0.24 0.86 -0.75 4.18 4.46 2ny0A1 ILE 333 HB -0.24 -0.04 0.06 -0.04 1.89 1.63 2ny0A1 ILE 333 HG12 -0.20 0.14 0.03 -0.04 1.49 1.42 2ny0A1 ILE 333 HG13 -0.20 -0.07 -0.46 -0.04 1.21 0.44 2ny0A1 ILE 333 HG23 -0.20 0.07 -0.06 -0.04 0.93 0.71 2ny0A1 ILE 333 HD13 -0.57 -0.00 -0.10 -0.04 0.88 0.17 2ny0A1 ALA 334 H -0.01 0.20 0.17 -0.55 8.40 8.22 2ny0A1 ALA 334 HA 0.01 0.11 0.66 -0.75 4.34 4.37 2ny0A1 ALA 334 HB3 0.02 0.00 0.17 -0.04 1.41 1.57 2ny0A1 ARG 335 H 0.03 0.61 0.44 -0.55 8.46 8.99 2ny0A1 ARG 335 HA 0.09 0.07 0.36 -0.75 4.34 4.11 2ny0A1 ARG 335 HB2 0.03 0.02 -0.10 -0.04 1.90 1.81 2ny0A1 ARG 335 HB3 0.03 0.06 0.11 -0.04 1.80 1.96 2ny0A1 ARG 335 HG2 0.07 -0.07 -0.18 -0.04 1.67 1.44 2ny0A1 ARG 335 HG3 0.07 -0.04 0.01 -0.04 1.67 1.67 2ny0A1 ARG 335 HD2 0.02 0.10 -0.07 -0.04 3.22 3.24 2ny0A1 ARG 335 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.17 2ny0A1 ALA 336 H 0.04 0.17 0.04 -0.55 8.40 8.11 2ny0A1 ALA 336 HA 0.05 0.12 0.40 -0.75 4.34 4.16 2ny0A1 ALA 336 HB3 0.03 0.02 0.08 -0.04 1.41 1.49 2ny0A1 LYS 337 H 0.06 0.05 -0.25 -0.55 8.42 7.72 2ny0A1 LYS 337 HA 0.02 0.07 0.41 -0.75 4.32 4.07 2ny0A1 LYS 337 HB2 0.08 0.04 0.11 -0.04 1.87 2.06 2ny0A1 LYS 337 HB3 0.07 0.05 -0.01 -0.04 1.79 1.87 2ny0A1 LYS 337 HG2 0.02 0.03 0.03 -0.04 1.46 1.51 2ny0A1 LYS 337 HG3 0.03 -0.06 0.06 -0.04 1.46 1.44 2ny0A1 LYS 337 HD2 0.03 -0.08 0.10 -0.04 1.69 1.71 2ny0A1 LYS 337 HD3 0.02 0.12 0.07 -0.04 1.68 1.85 2ny0A1 LYS 337 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 2ny0A1 LYS 337 HE3 0.01 -0.04 0.04 -0.04 2.99 2.97 2ny0A1 TRP 338 H 0.23 0.44 -0.17 -0.55 7.97 7.92 2ny0A1 TRP 338 HA -0.09 0.01 0.40 -0.75 4.62 4.19 2ny0A1 TRP 338 HB2 -0.08 0.03 0.07 -0.04 3.23 3.20 2ny0A1 TRP 338 HB3 -0.07 0.09 0.10 -0.04 3.23 3.31 2ny0A1 TRP 338 HD1 -0.13 0.04 -0.07 -0.04 7.22 7.01 2ny0A1 TRP 338 HE1 -0.49 0.49 0.14 -0.04 10.20 10.30 2ny0A1 TRP 338 HE3 -0.12 -0.03 -0.03 -0.04 7.59 7.36 2ny0A1 TRP 338 HZ2 -0.59 0.05 -0.06 -0.04 7.44 6.79 2ny0A1 TRP 338 HZ3 -0.12 -0.01 -0.06 -0.04 7.13 6.91 2ny0A1 TRP 338 HH2 -0.10 0.01 -0.07 -0.04 7.19 6.99 2ny0A1 ASN 339 H 0.13 0.67 -0.06 -0.55 8.53 8.73 2ny0A1 ASN 339 HA 0.08 0.03 0.43 -0.75 4.76 4.54 2ny0A1 ASN 339 HB2 0.12 0.09 0.13 -0.04 2.88 3.18 2ny0A1 ASN 339 HB3 0.09 0.05 0.13 -0.04 2.79 3.02 2ny0A1 ASN 339 HD21 0.18 -0.02 -0.01 -0.04 7.03 7.14 2ny0A1 ASN 339 HD22 0.13 0.01 -0.08 -0.04 7.74 7.76 2ny0A1 ASN 340 H -0.02 0.51 -0.16 -0.55 8.53 8.32 2ny0A1 ASN 340 HA -0.06 0.01 0.45 -0.75 4.76 4.40 2ny0A1 ASN 340 HB2 -0.04 0.12 0.17 -0.04 2.88 3.09 2ny0A1 ASN 340 HB3 -0.07 -0.04 -0.00 -0.04 2.79 2.64 2ny0A1 ASN 340 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.93 2ny0A1 ASN 340 HD22 -0.01 -0.02 -0.03 -0.04 7.74 7.64 2ny0A1 THR 341 H -0.23 0.52 -0.17 -0.55 8.28 7.85 2ny0A1 THR 341 HA -0.27 -0.01 0.46 -0.75 4.39 3.80 2ny0A1 THR 341 HB -0.68 0.16 0.20 -0.04 4.32 3.96 2ny0A1 THR 341 HG23 -0.56 -0.03 -0.16 -0.04 1.22 0.43 2ny0A1 LEU 342 H -0.69 0.69 -0.06 -0.55 8.37 7.77 2ny0A1 LEU 342 HA -0.77 -0.01 0.43 -0.75 4.35 3.24 2ny0A1 LEU 342 HB2 -0.32 0.15 0.16 -0.04 1.64 1.60 2ny0A1 LEU 342 HB3 -0.54 -0.07 -0.03 -0.04 1.64 0.96 2ny0A1 LEU 342 HG -1.44 0.12 0.04 -0.04 1.64 0.31 2ny0A1 LEU 342 HD13 0.01 0.03 -0.03 -0.04 0.93 0.90 2ny0A1 LEU 342 HD23 -1.12 -0.01 -0.01 -0.04 0.89 -0.29 2ny0A1 LYS 343 H -0.64 0.52 -0.22 -0.55 8.42 7.53 2ny0A1 LYS 343 HA -1.47 -0.01 0.43 -0.75 4.32 2.52 2ny0A1 LYS 343 HB2 -0.35 0.09 0.15 -0.04 1.87 1.72 2ny0A1 LYS 343 HB3 -0.25 0.15 0.11 -0.04 1.79 1.76 2ny0A1 LYS 343 HG2 -0.10 -0.05 0.03 -0.04 1.46 1.29 2ny0A1 LYS 343 HG3 0.05 -0.02 0.05 -0.04 1.46 1.49 2ny0A1 LYS 343 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.59 2ny0A1 LYS 343 HD3 0.10 -0.02 -0.00 -0.04 1.68 1.71 2ny0A1 LYS 343 HE2 -0.04 0.07 0.05 -0.04 2.99 3.04 2ny0A1 LYS 343 HE3 0.03 -0.03 0.00 -0.04 2.99 2.95 2ny0A1 GLN 344 H -0.34 0.43 -0.26 -0.55 8.47 7.75 2ny0A1 GLN 344 HA -0.14 0.04 0.56 -0.75 4.36 4.06 2ny0A1 GLN 344 HB2 -0.21 0.16 0.18 -0.04 2.15 2.25 2ny0A1 GLN 344 HB3 -0.14 -0.10 0.06 -0.04 2.02 1.80 2ny0A1 GLN 344 HG2 -0.10 -0.05 0.04 -0.04 2.40 2.26 2ny0A1 GLN 344 HG3 -0.14 0.10 0.05 -0.04 2.39 2.35 2ny0A1 GLN 344 HE21 -0.06 -0.01 -0.02 -0.04 6.97 6.84 2ny0A1 GLN 344 HE22 -0.06 -0.01 -0.00 -0.04 7.69 7.57 2ny0A1 ILE 345 H -0.34 0.48 -0.12 -0.55 8.25 7.72 2ny0A1 ILE 345 HA -0.14 0.02 0.41 -0.75 4.18 3.73 2ny0A1 ILE 345 HB -0.16 0.11 0.08 -0.04 1.89 1.88 2ny0A1 ILE 345 HG12 -0.39 0.40 0.03 -0.04 1.49 1.49 2ny0A1 ILE 345 HG13 -0.35 -0.03 -0.10 -0.04 1.21 0.69 2ny0A1 ILE 345 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.69 2ny0A1 ILE 345 HD13 -0.16 -0.04 -0.13 -0.04 0.88 0.51 2ny0A1 ALA 346 H -0.30 0.68 -0.10 -0.55 8.40 8.13 2ny0A1 ALA 346 HA -0.07 -0.01 0.29 -0.75 4.34 3.79 2ny0A1 ALA 346 HB3 -0.22 0.03 0.04 -0.04 1.41 1.22 2ny0A1 SER 347 H -0.02 0.45 -0.29 -0.55 8.46 8.05 2ny0A1 SER 347 HA -0.06 0.03 0.42 -0.75 4.49 4.13 2ny0A1 SER 347 HB2 -0.06 0.11 0.17 -0.04 3.95 4.13 2ny0A1 SER 347 HB3 -0.06 -0.04 -0.03 -0.04 3.93 3.76 2ny0A1 LYS 348 H -0.08 0.46 -0.20 -0.55 8.42 8.05 2ny0A1 LYS 348 HA -0.09 0.01 0.38 -0.75 4.32 3.87 2ny0A1 LYS 348 HB2 -0.09 0.12 0.08 -0.04 1.87 1.94 2ny0A1 LYS 348 HB3 -0.09 -0.08 -0.07 -0.04 1.79 1.51 2ny0A1 LYS 348 HG2 -0.09 0.04 0.06 -0.04 1.46 1.43 2ny0A1 LYS 348 HG3 -0.09 0.00 -0.12 -0.04 1.46 1.22 2ny0A1 LYS 348 HD2 -0.09 -0.01 0.03 -0.04 1.69 1.58 2ny0A1 LYS 348 HD3 -0.09 -0.05 0.01 -0.04 1.68 1.51 2ny0A1 LYS 348 HE2 -0.07 -0.07 0.00 -0.04 2.99 2.81 2ny0A1 LYS 348 HE3 -0.08 0.13 0.05 -0.04 2.99 3.05 2ny0A1 LEU 349 H -0.08 0.56 -0.26 -0.55 8.37 8.06 2ny0A1 LEU 349 HA 0.00 0.03 0.39 -0.75 4.35 4.02 2ny0A1 LEU 349 HB2 -0.16 0.10 0.07 -0.04 1.64 1.61 2ny0A1 LEU 349 HB3 -0.15 -0.05 -0.10 -0.04 1.64 1.31 2ny0A1 LEU 349 HG -0.20 0.15 -0.12 -0.04 1.64 1.43 2ny0A1 LEU 349 HD13 -1.14 -0.02 -0.20 -0.04 0.93 -0.47 2ny0A1 LEU 349 HD23 -0.13 -0.02 -0.13 -0.04 0.89 0.57 2ny0A1 ARG 350 H 0.00 0.66 -0.08 -0.55 8.46 8.49 2ny0A1 ARG 350 HA 0.12 -0.02 0.44 -0.75 4.34 4.12 2ny0A1 ARG 350 HB2 0.01 0.25 0.09 -0.04 1.90 2.21 2ny0A1 ARG 350 HB3 0.06 0.02 0.05 -0.04 1.80 1.88 2ny0A1 ARG 350 HG2 -0.15 0.16 0.01 -0.04 1.67 1.65 2ny0A1 ARG 350 HG3 -0.17 -0.12 -0.15 -0.04 1.67 1.18 2ny0A1 ARG 350 HD2 -0.19 0.16 0.01 -0.04 3.22 3.15 2ny0A1 ARG 350 HD3 -0.47 -0.02 -0.09 -0.04 3.22 2.60 2ny0A1 GLU 351 H -0.08 0.36 -0.52 -0.55 8.60 7.81 2ny0A1 GLU 351 HA -0.10 -0.00 0.53 -0.75 4.29 3.96 2ny0A1 GLU 351 HB2 -0.10 0.18 0.13 -0.04 2.09 2.25 2ny0A1 GLU 351 HB3 -0.13 0.17 0.01 -0.04 1.99 1.99 2ny0A1 GLU 351 HG2 -0.11 -0.04 0.07 -0.04 2.34 2.22 2ny0A1 GLU 351 HG3 -0.09 -0.04 0.04 -0.04 2.34 2.21 2ny0A1 GLN 352 H -0.15 0.35 -0.51 -0.55 8.47 7.61 2ny0A1 GLN 352 HA -0.37 0.11 0.75 -0.75 4.36 4.09 2ny0A1 GLN 352 HB2 -0.53 -0.01 0.01 -0.04 2.15 1.58 2ny0A1 GLN 352 HB3 -0.52 0.16 0.14 -0.04 2.02 1.76 2ny0A1 GLN 352 HG2 -1.71 -0.05 -0.07 -0.04 2.40 0.52 2ny0A1 GLN 352 HG3 -1.72 0.01 -0.23 -0.04 2.39 0.41 2ny0A1 GLN 352 HE21 -0.41 -0.05 0.02 -0.04 6.97 6.49 2ny0A1 GLN 352 HE22 -0.73 -0.02 -0.01 -0.04 7.69 6.88 2ny0A1 PHE 353 H 0.02 0.22 0.07 -0.55 8.34 8.11 2ny0A1 PHE 353 HA -0.03 0.19 0.91 -0.75 4.62 4.94 2ny0A1 PHE 353 HB2 0.07 0.04 -0.05 -0.04 3.15 3.16 2ny0A1 PHE 353 HB3 0.04 -0.04 0.05 -0.04 3.06 3.07 2ny0A1 PHE 353 HD2 0.06 0.09 -0.05 -0.04 7.28 7.34 2ny0A1 PHE 353 HE2 0.17 0.05 -0.09 -0.04 7.38 7.46 2ny0A1 PHE 353 HZ 0.41 -0.01 -0.07 -0.04 7.32 7.61 2ny0A1 GLY 354 H 0.01 0.31 -0.15 -0.55 8.43 8.06 2ny0A1 GLY 354 HA2 -0.00 -0.06 0.32 -0.51 4.01 3.76 2ny0A1 GLY 354 HA3 0.04 0.17 0.85 -0.51 4.01 4.56 2ny0A1 ASN 355 H -0.03 0.12 0.14 -0.55 8.53 8.22 2ny0A1 ASN 355 HA -0.08 0.16 0.42 -0.75 4.76 4.50 2ny0A1 ASN 355 HB2 -0.05 -0.04 0.08 -0.04 2.88 2.83 2ny0A1 ASN 355 HB3 -0.08 0.01 0.12 -0.04 2.79 2.80 2ny0A1 ASN 355 HD21 -0.07 0.03 0.03 -0.04 7.03 6.98 2ny0A1 ASN 355 HD22 -0.05 -0.04 0.04 -0.04 7.74 7.65 2ny0A1 ASN 356 H -0.00 0.01 -0.41 -0.55 8.53 7.58 2ny0A1 ASN 356 HA -0.00 0.22 0.80 -0.75 4.76 5.02 2ny0A1 ASN 356 HB2 0.01 -0.02 0.02 -0.04 2.88 2.85 2ny0A1 ASN 356 HB3 0.01 0.02 0.17 -0.04 2.79 2.95 2ny0A1 ASN 356 HD21 -0.00 -0.02 -0.01 -0.04 7.03 6.95 2ny0A1 ASN 356 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 2ny0A1 LYS 357 H 0.02 0.34 -0.36 -0.55 8.42 7.87 2ny0A1 LYS 357 HA 0.05 0.27 0.80 -0.75 4.32 4.69 2ny0A1 LYS 357 HB2 0.09 0.15 -0.05 -0.04 1.87 2.02 2ny0A1 LYS 357 HB3 0.08 -0.04 -0.22 -0.04 1.79 1.56 2ny0A1 LYS 357 HG2 0.04 -0.02 -0.27 -0.04 1.46 1.17 2ny0A1 LYS 357 HG3 0.06 -0.10 -0.18 -0.04 1.46 1.20 2ny0A1 LYS 357 HD2 0.11 0.03 -0.20 -0.04 1.69 1.59 2ny0A1 LYS 357 HD3 0.04 -0.06 -0.24 -0.04 1.68 1.37 2ny0A1 LYS 357 HE2 0.06 0.08 0.02 -0.04 2.99 3.11 2ny0A1 LYS 357 HE3 0.05 -0.03 -0.03 -0.04 2.99 2.94 2ny0A1 THR 358 H 0.08 0.47 0.34 -0.55 8.28 8.62 2ny0A1 THR 358 HA 0.21 0.26 0.72 -0.75 4.39 4.83 2ny0A1 THR 358 HB 0.06 -0.11 0.16 -0.04 4.32 4.39 2ny0A1 THR 358 HG23 0.08 -0.01 -0.21 -0.04 1.22 1.04 2ny0A1 ILE 359 H 0.28 0.43 0.24 -0.55 8.25 8.65 2ny0A1 ILE 359 HA 0.15 0.19 0.96 -0.75 4.18 4.72 2ny0A1 ILE 359 HB 0.20 -0.08 0.13 -0.04 1.89 2.11 2ny0A1 ILE 359 HG12 0.28 0.14 -0.14 -0.04 1.49 1.74 2ny0A1 ILE 359 HG13 0.16 0.05 0.01 -0.04 1.21 1.39 2ny0A1 ILE 359 HG23 -0.31 -0.02 -0.18 -0.04 0.93 0.39 2ny0A1 ILE 359 HD13 0.19 -0.00 -0.21 -0.04 0.88 0.82 2ny0A1 ILE 360 H 0.05 0.75 0.37 -0.55 8.25 8.86 2ny0A1 ILE 360 HA 0.11 0.23 1.18 -0.75 4.18 4.95 2ny0A1 ILE 360 HB 0.01 0.00 0.04 -0.04 1.89 1.91 2ny0A1 ILE 360 HG12 0.03 -0.02 -0.11 -0.04 1.49 1.35 2ny0A1 ILE 360 HG13 0.05 -0.02 -0.22 -0.04 1.21 0.98 2ny0A1 ILE 360 HG23 0.08 -0.01 -0.26 -0.04 0.93 0.69 2ny0A1 ILE 360 HD13 0.02 0.01 -0.25 -0.04 0.88 0.63 2ny0A1 PHE 361 H 0.36 0.63 0.34 -0.55 8.34 9.11 2ny0A1 PHE 361 HA 0.28 0.32 1.10 -0.75 4.62 5.56 2ny0A1 PHE 361 HB2 0.33 -0.17 0.15 -0.04 3.15 3.41 2ny0A1 PHE 361 HB3 0.48 0.05 0.03 -0.04 3.06 3.59 2ny0A1 PHE 361 HD2 0.43 0.05 -0.08 -0.04 7.28 7.64 2ny0A1 PHE 361 HE2 -0.23 -0.01 -0.14 -0.04 7.38 6.96 2ny0A1 PHE 361 HZ -0.26 -0.06 -0.16 -0.04 7.32 6.80 2ny0A1 LYS 362 H 0.27 0.69 0.33 -0.55 8.42 9.16 2ny0A1 LYS 362 HA 0.21 0.22 0.87 -0.75 4.32 4.87 2ny0A1 LYS 362 HB2 0.09 -0.02 -0.04 -0.04 1.87 1.86 2ny0A1 LYS 362 HB3 0.09 0.03 0.06 -0.04 1.79 1.94 2ny0A1 LYS 362 HG2 0.10 0.03 -0.02 -0.04 1.46 1.53 2ny0A1 LYS 362 HG3 0.09 -0.08 -0.42 -0.04 1.46 1.01 2ny0A1 LYS 362 HD2 0.03 -0.00 -0.09 -0.04 1.69 1.59 2ny0A1 LYS 362 HD3 0.04 0.00 -0.04 -0.04 1.68 1.65 2ny0A1 LYS 362 HE2 0.03 -0.03 -0.13 -0.04 2.99 2.82 2ny0A1 LYS 362 HE3 0.01 -0.02 -0.07 -0.04 2.99 2.87 2ny0A1 GLN 363 H 0.15 0.06 0.23 -0.55 8.47 8.36 2ny0A1 GLN 363 HA 0.17 0.01 0.52 -0.75 4.36 4.31 2ny0A1 GLN 363 HB2 0.12 -0.07 0.17 -0.04 2.15 2.32 2ny0A1 GLN 363 HB3 0.14 -0.01 0.21 -0.04 2.02 2.32 2ny0A1 GLN 363 HG2 0.08 -0.08 0.05 -0.04 2.40 2.41 2ny0A1 GLN 363 HG3 0.07 0.30 -0.26 -0.04 2.39 2.46 2ny0A1 GLN 363 HE21 0.05 -0.06 -0.00 -0.04 6.97 6.92 2ny0A1 GLN 363 HE22 0.05 0.05 -0.03 -0.04 7.69 7.72 2ny0A1 SER 364 H 0.06 0.07 0.21 -0.55 8.46 8.25 2ny0A1 SER 364 HA 0.00 0.08 0.53 -0.75 4.49 4.34 2ny0A1 SER 364 HB2 0.02 0.21 0.22 -0.04 3.95 4.35 2ny0A1 SER 364 HB3 0.05 0.01 0.21 -0.04 3.93 4.16 2ny0A1 SER 365 H 0.01 0.14 0.17 -0.55 8.46 8.24 2ny0A1 SER 365 HA 0.02 0.14 0.47 -0.75 4.49 4.36 2ny0A1 SER 365 HB2 0.00 -0.03 0.04 -0.04 3.95 3.92 2ny0A1 SER 365 HB3 0.00 0.03 0.06 -0.04 3.93 3.98 2ny0A1 GLY 366 H 0.01 0.14 -0.09 -0.55 8.43 7.95 2ny0A1 GLY 366 HA2 0.02 0.04 0.12 -0.51 4.01 3.68 2ny0A1 GLY 366 HA3 0.01 0.16 0.77 -0.51 4.01 4.43 2ny0A1 GLY 367 H 0.00 0.20 0.13 -0.55 8.43 8.21 2ny0A1 GLY 367 HA2 -0.01 0.02 0.26 -0.51 4.01 3.77 2ny0A1 GLY 367 HA3 -0.01 0.20 0.89 -0.51 4.01 4.58 2ny0A1 ASP 368 H -0.03 0.14 0.12 -0.55 8.40 8.08 2ny0A1 ASP 368 HA -0.03 0.16 0.52 -0.75 4.63 4.52 2ny0A1 ASP 368 HB2 -0.07 0.02 0.11 -0.04 2.71 2.73 2ny0A1 ASP 368 HB3 -0.09 -0.06 0.07 -0.04 2.70 2.58 2ny0A1 PRO 369 HA 0.07 0.09 0.39 -0.51 4.44 4.48 2ny0A1 PRO 369 HB2 0.17 0.04 0.02 -0.04 2.28 2.46 2ny0A1 PRO 369 HB3 0.07 0.07 0.06 -0.04 2.02 2.17 2ny0A1 PRO 369 HG2 -0.04 0.07 0.10 -0.04 2.03 2.12 2ny0A1 PRO 369 HG3 -0.01 0.09 0.10 -0.04 2.03 2.17 2ny0A1 PRO 369 HD2 -0.04 0.07 0.24 -0.04 3.68 3.91 2ny0A1 PRO 369 HD3 -0.02 0.21 0.26 -0.04 3.65 4.05 2ny0A1 GLU 370 H -0.14 0.11 -0.21 -0.55 8.60 7.82 2ny0A1 GLU 370 HA -0.62 0.09 0.32 -0.75 4.29 3.33 2ny0A1 GLU 370 HB2 -0.55 -0.03 -0.02 -0.04 2.09 1.44 2ny0A1 GLU 370 HB3 -1.48 0.05 0.00 -0.04 1.99 0.52 2ny0A1 GLU 370 HG2 -1.34 0.16 0.02 -0.04 2.34 1.13 2ny0A1 GLU 370 HG3 -1.70 0.03 -0.01 -0.04 2.34 0.62 2ny0A1 ILE 371 H -0.05 0.25 -0.73 -0.55 8.25 7.17 2ny0A1 ILE 371 HA 0.03 0.14 0.54 -0.75 4.18 4.14 2ny0A1 ILE 371 HB -0.05 -0.12 -0.00 -0.04 1.89 1.68 2ny0A1 ILE 371 HG12 -0.03 -0.06 0.01 -0.04 1.49 1.36 2ny0A1 ILE 371 HG13 -0.00 0.22 -0.09 -0.04 1.21 1.30 2ny0A1 ILE 371 HG23 -0.00 -0.00 -0.18 -0.04 0.93 0.71 2ny0A1 ILE 371 HD13 -0.08 -0.01 -0.30 -0.04 0.88 0.45 2ny0A1 VAL 372 H 0.04 0.19 -0.02 -0.55 8.24 7.89 2ny0A1 VAL 372 HA 0.05 0.07 0.46 -0.75 4.13 3.96 2ny0A1 VAL 372 HB 0.07 -0.03 -0.06 -0.04 2.12 2.05 2ny0A1 VAL 372 HG13 0.06 -0.01 -0.16 -0.04 0.97 0.82 2ny0A1 VAL 372 HG23 0.02 0.03 -0.43 -0.04 0.95 0.53 2ny0A1 THR 373 H 0.14 0.41 -0.12 -0.55 8.28 8.16 2ny0A1 THR 373 HA 0.19 0.06 0.85 -0.75 4.39 4.73 2ny0A1 THR 373 HB 0.25 0.06 -0.27 -0.04 4.32 4.32 2ny0A1 THR 373 HG23 0.19 -0.03 -0.24 -0.04 1.22 1.10 2ny0A1 HIS 374 H 0.31 0.43 0.20 -0.55 8.41 8.80 2ny0A1 HIS 374 HA 0.20 0.13 0.64 -0.75 4.63 4.85 2ny0A1 HIS 374 HB2 0.15 -0.02 0.08 -0.04 3.26 3.43 2ny0A1 HIS 374 HB3 0.17 -0.01 0.14 -0.04 3.20 3.45 2ny0A1 HIS 374 HD2 -0.04 -0.06 -0.14 -0.04 6.97 6.67 2ny0A1 HIS 374 HE1 -0.14 0.07 -0.05 -0.04 7.75 7.58 2ny0A1 TRP 375 H 0.31 0.20 0.22 -0.55 7.97 8.16 2ny0A1 TRP 375 HA -0.20 0.32 0.94 -0.75 4.62 4.92 2ny0A1 TRP 375 HB2 -0.23 -0.04 -0.06 -0.04 3.23 2.85 2ny0A1 TRP 375 HB3 -0.08 0.18 0.21 -0.04 3.23 3.50 2ny0A1 TRP 375 HD1 -1.81 0.06 -0.11 -0.04 7.22 5.31 2ny0A1 TRP 375 HE1 -0.20 -0.04 -0.11 -0.04 10.20 9.81 2ny0A1 TRP 375 HE3 -0.04 -0.02 -0.16 -0.04 7.59 7.33 2ny0A1 TRP 375 HZ2 0.05 -0.00 -0.10 -0.04 7.44 7.35 2ny0A1 TRP 375 HZ3 -0.13 -0.04 -0.19 -0.04 7.13 6.73 2ny0A1 TRP 375 HH2 0.17 -0.06 -0.08 -0.04 7.19 7.18 2ny0A1 PHE 376 H -0.86 0.59 0.38 -0.55 8.34 7.90 2ny0A1 PHE 376 HA -0.73 0.28 0.77 -0.75 4.62 4.18 2ny0A1 PHE 376 HB2 -0.28 0.02 0.09 -0.04 3.15 2.93 2ny0A1 PHE 376 HB3 -0.37 0.09 -0.15 -0.04 3.06 2.58 2ny0A1 PHE 376 HD2 -0.57 0.04 -0.48 -0.04 7.28 6.23 2ny0A1 PHE 376 HE2 -0.48 0.00 -0.23 -0.04 7.38 6.63 2ny0A1 PHE 376 HZ -0.37 -0.04 -0.22 -0.04 7.32 6.65 2ny0A1 ASN 377 H -0.14 0.29 0.24 -0.55 8.53 8.37 2ny0A1 ASN 377 HA -0.36 0.31 1.21 -0.75 4.76 5.16 2ny0A1 ASN 377 HB2 -0.99 0.05 -0.17 -0.04 2.88 1.73 2ny0A1 ASN 377 HB3 -0.21 -0.02 0.01 -0.04 2.79 2.53 2ny0A1 ASN 377 HD21 -0.15 -0.09 -0.16 -0.04 7.03 6.59 2ny0A1 ASN 377 HD22 -0.66 0.13 -0.45 -0.04 7.74 6.72 2ny0A1 CYS 378 H -0.06 0.81 0.22 -0.55 8.50 8.93 2ny0A1 CYS 378 HA -0.05 0.15 0.85 -0.75 4.58 4.78 2ny0A1 CYS 378 HB2 -0.09 0.05 -0.30 -0.04 2.97 2.60 2ny0A1 CYS 378 HB3 -0.54 -0.02 -0.09 -0.04 2.97 2.29 2ny0A1 GLY 379 H -0.03 0.31 0.12 -0.55 8.43 8.29 2ny0A1 GLY 379 HA2 -0.01 0.16 0.30 -0.51 4.01 3.96 2ny0A1 GLY 379 HA3 0.02 0.01 0.46 -0.51 4.01 3.98 2ny0A1 GLY 380 H -0.06 0.09 -0.31 -0.55 8.43 7.61 2ny0A1 GLY 380 HA2 -0.21 -0.02 0.32 -0.51 4.01 3.60 2ny0A1 GLY 380 HA3 -0.12 0.30 0.64 -0.51 4.01 4.31 2ny0A1 GLU 381 H -0.09 0.33 -0.56 -0.55 8.60 7.74 2ny0A1 GLU 381 HA -0.21 0.21 0.69 -0.75 4.29 4.23 2ny0A1 GLU 381 HB2 0.01 0.04 -0.00 -0.04 2.09 2.10 2ny0A1 GLU 381 HB3 -0.15 -0.00 -0.00 -0.04 1.99 1.79 2ny0A1 GLU 381 HG2 -0.04 0.13 -0.11 -0.04 2.34 2.28 2ny0A1 GLU 381 HG3 -0.06 -0.07 0.00 -0.04 2.34 2.17 2ny0A1 PHE 382 H 0.11 0.26 0.19 -0.55 8.34 8.34 2ny0A1 PHE 382 HA -0.15 0.22 1.05 -0.75 4.62 4.98 2ny0A1 PHE 382 HB2 0.27 0.05 0.17 -0.04 3.15 3.59 2ny0A1 PHE 382 HB3 0.32 0.02 -0.03 -0.04 3.06 3.32 2ny0A1 PHE 382 HD2 -0.13 0.05 -0.06 -0.04 7.28 7.09 2ny0A1 PHE 382 HE2 -0.25 0.01 -0.09 -0.04 7.38 7.02 2ny0A1 PHE 382 HZ 0.36 0.03 -0.08 -0.04 7.32 7.59 2ny0A1 PHE 383 H -0.29 0.66 0.39 -0.55 8.34 8.55 2ny0A1 PHE 383 HA -0.06 0.16 0.72 -0.75 4.62 4.68 2ny0A1 PHE 383 HB2 -2.10 0.03 0.02 -0.04 3.15 1.05 2ny0A1 PHE 383 HB3 -0.53 -0.03 -0.18 -0.04 3.06 2.28 2ny0A1 PHE 383 HD2 -0.22 0.03 -0.22 -0.04 7.28 6.83 2ny0A1 PHE 383 HE2 -0.06 0.18 -0.34 -0.04 7.38 7.12 2ny0A1 PHE 383 HZ -0.03 -0.08 -0.34 -0.04 7.32 6.82 2ny0A1 TYR 384 H 0.28 0.56 0.26 -0.55 8.29 8.84 2ny0A1 TYR 384 HA 0.26 0.17 0.77 -0.75 4.56 5.00 2ny0A1 TYR 384 HB2 0.11 0.04 0.17 -0.04 3.06 3.34 2ny0A1 TYR 384 HB3 0.14 -0.03 -0.05 -0.04 2.98 3.00 2ny0A1 TYR 384 HD2 0.13 0.08 -0.28 -0.04 7.15 7.04 2ny0A1 TYR 384 HE2 0.08 -0.08 -0.18 -0.04 6.85 6.63 2ny0A1 CYS 385 H 0.27 0.68 0.07 -0.55 8.50 8.97 2ny0A1 CYS 385 HA 0.23 0.22 0.90 -0.75 4.58 5.17 2ny0A1 CYS 385 HB2 0.38 0.11 0.06 -0.04 2.97 3.48 2ny0A1 CYS 385 HB3 0.26 0.01 -0.22 -0.04 2.97 2.98 2ny0A1 ASN 386 H 0.16 0.65 0.28 -0.55 8.53 9.07 2ny0A1 ASN 386 HA 0.15 0.01 0.55 -0.75 4.76 4.72 2ny0A1 ASN 386 HB2 0.11 0.08 0.19 -0.04 2.88 3.21 2ny0A1 ASN 386 HB3 0.10 0.05 0.31 -0.04 2.79 3.20 2ny0A1 ASN 386 HD21 0.07 0.00 0.04 -0.04 7.03 7.10 2ny0A1 ASN 386 HD22 0.07 0.05 0.06 -0.04 7.74 7.88 2ny0A1 SER 387 H 0.17 0.24 0.31 -0.55 8.46 8.64 2ny0A1 SER 387 HA 0.09 0.17 0.65 -0.75 4.49 4.64 2ny0A1 SER 387 HB2 0.34 -0.02 0.13 -0.04 3.95 4.37 2ny0A1 SER 387 HB3 0.23 0.03 0.05 -0.04 3.93 4.20 2ny0A1 THR 388 H 0.13 0.11 -0.19 -0.55 8.28 7.79 2ny0A1 THR 388 HA 0.19 0.10 0.39 -0.75 4.39 4.32 2ny0A1 THR 388 HB 0.08 -0.01 0.05 -0.04 4.32 4.40 2ny0A1 THR 388 HG23 0.09 0.02 -0.08 -0.04 1.22 1.21 2ny0A1 GLN 389 H 0.05 0.13 -0.29 -0.55 8.47 7.81 2ny0A1 GLN 389 HA 0.04 0.11 0.30 -0.75 4.36 4.05 2ny0A1 GLN 389 HB2 -0.03 0.01 -0.04 -0.04 2.15 2.05 2ny0A1 GLN 389 HB3 -0.03 0.00 -0.03 -0.04 2.02 1.92 2ny0A1 GLN 389 HG2 0.01 0.02 0.02 -0.04 2.40 2.42 2ny0A1 GLN 389 HG3 0.03 -0.05 0.00 -0.04 2.39 2.32 2ny0A1 GLN 389 HE21 0.01 0.46 0.14 -0.04 6.97 7.54 2ny0A1 GLN 389 HE22 0.02 -0.05 0.06 -0.04 7.69 7.67 2ny0A1 LEU 390 H -0.08 0.35 -0.42 -0.55 8.37 7.67 2ny0A1 LEU 390 HA -0.28 0.06 0.54 -0.75 4.35 3.92 2ny0A1 LEU 390 HB2 -0.57 0.17 0.05 -0.04 1.64 1.25 2ny0A1 LEU 390 HB3 -1.02 -0.03 0.00 -0.04 1.64 0.55 2ny0A1 LEU 390 HG -0.40 -0.06 -0.06 -0.04 1.64 1.08 2ny0A1 LEU 390 HD13 -0.66 -0.01 -0.06 -0.04 0.93 0.17 2ny0A1 LEU 390 HD23 -1.37 -0.00 -0.10 -0.04 0.89 -0.62 2ny0A1 PHE 391 H 0.14 0.39 -0.39 -0.55 8.34 7.93 2ny0A1 PHE 391 HA 0.25 0.10 0.76 -0.75 4.62 4.97 2ny0A1 PHE 391 HB2 0.16 -0.05 -0.11 -0.04 3.15 3.11 2ny0A1 PHE 391 HB3 0.26 0.07 -0.18 -0.04 3.06 3.17 2ny0A1 PHE 391 HD2 0.16 0.04 -0.09 -0.04 7.28 7.35 2ny0A1 PHE 391 HE2 0.11 -0.04 -0.08 -0.04 7.38 7.33 2ny0A1 PHE 391 HZ 0.20 -0.01 -0.07 -0.04 7.32 7.40 2ny0A1 ASN 392 H 0.23 0.15 -0.24 -0.55 8.53 8.13 2ny0A1 ASN 392 HA 0.18 0.19 0.71 -0.75 4.76 5.08 2ny0A1 ASN 392 HB2 0.13 0.19 -0.25 -0.04 2.88 2.91 2ny0A1 ASN 392 HB3 0.10 -0.00 0.04 -0.04 2.79 2.88 2ny0A1 ASN 392 HD21 0.04 -0.05 0.01 -0.04 7.03 6.99 2ny0A1 ASN 392 HD22 0.06 -0.01 -0.03 -0.04 7.74 7.71 2ny0A1 SER 393 H 0.30 0.42 0.24 -0.55 8.46 8.88 2ny0A1 SER 393 HA -0.03 0.11 0.75 -0.75 4.49 4.57 2ny0A1 SER 393 HB2 -0.32 0.03 0.02 -0.04 3.95 3.64 2ny0A1 SER 393 HB3 0.04 0.11 -0.12 -0.04 3.93 3.92 2ny0A1 THR 394 H -0.29 0.19 0.21 -0.55 8.28 7.84 2ny0A1 THR 394 HA 0.04 0.29 1.08 -0.75 4.39 5.05 2ny0A1 THR 394 HB -0.13 -0.06 0.09 -0.04 4.32 4.17 2ny0A1 THR 394 HG23 -0.01 -0.01 -0.16 -0.04 1.22 1.01 2ny0A1 TRP 395 H 0.15 0.65 0.29 -0.55 7.97 8.52 2ny0A1 TRP 395 HA -0.28 0.11 1.01 -0.75 4.62 4.71 2ny0A1 TRP 395 HB2 -0.23 0.04 0.12 -0.04 3.23 3.12 2ny0A1 TRP 395 HB3 -1.11 0.01 0.02 -0.04 3.23 2.10 2ny0A1 TRP 395 HD1 0.17 0.14 -0.24 -0.04 7.22 7.25 2ny0A1 TRP 395 HE1 0.19 -0.01 -0.18 -0.04 10.20 10.16 2ny0A1 TRP 395 HE3 -0.46 -0.02 0.04 -0.04 7.59 7.11 2ny0A1 TRP 395 HZ2 -0.13 -0.00 -0.03 -0.04 7.44 7.24 2ny0A1 TRP 395 HZ3 -0.13 -0.01 0.02 -0.04 7.13 6.97 2ny0A1 TRP 395 HH2 -0.11 0.03 0.01 -0.04 7.19 7.08 2ny0A1 PHE 396 H -0.20 0.17 0.12 -0.55 8.34 7.87 2ny0A1 PHE 396 HA 0.10 0.05 0.24 -0.75 4.62 4.25 2ny0A1 PHE 396 HB2 0.10 0.18 0.17 -0.04 3.15 3.56 2ny0A1 PHE 396 HB3 0.07 0.05 0.14 -0.04 3.06 3.28 2ny0A1 PHE 396 HD2 0.12 0.06 -0.06 -0.04 7.28 7.35 2ny0A1 PHE 396 HE2 0.04 -0.02 -0.18 -0.04 7.38 7.17 2ny0A1 PHE 396 HZ -0.05 0.04 -0.05 -0.04 7.32 7.21 2ny0A1 ASN 397 H 0.03 -0.05 -0.38 -0.55 8.53 7.58 2ny0A1 ASN 397 HA 0.07 0.24 0.69 -0.75 4.76 5.01 2ny0A1 ASN 397 HB2 0.01 0.03 -0.15 -0.04 2.88 2.74 2ny0A1 ASN 397 HB3 -0.02 -0.23 0.07 -0.04 2.79 2.56 2ny0A1 ASN 397 HD21 -0.00 0.01 -0.06 -0.04 7.03 6.94 2ny0A1 ASN 397 HD22 -0.02 -0.03 -0.04 -0.04 7.74 7.60 2ny0A1 SER 398 H -0.01 0.01 0.01 -0.55 8.46 7.92 2ny0A1 SER 398 HA 0.01 0.19 0.58 -0.75 4.49 4.53 2ny0A1 SER 398 HB2 -0.01 0.01 0.09 -0.04 3.95 4.00 2ny0A1 SER 398 HB3 -0.02 -0.23 0.20 -0.04 3.93 3.84 2ny0A1 THR 399 H -0.02 0.03 0.02 -0.55 8.28 7.75 2ny0A1 THR 399 HA 0.02 0.30 0.63 -0.75 4.39 4.58 2ny0A1 THR 399 HB -0.01 -0.02 0.02 -0.04 4.32 4.27 2ny0A1 THR 399 HG23 0.00 0.01 0.03 -0.04 1.22 1.23 2ny0A1 GLY 410 HA2 -0.00 -0.04 0.18 -0.51 4.01 3.64 2ny0A1 GLY 410 HA3 -0.00 -0.06 0.21 -0.51 4.01 3.64 2ny0A1 SER 411 H 0.00 0.13 0.09 -0.55 8.46 8.14 2ny0A1 SER 411 HA -0.00 0.12 0.86 -0.75 4.49 4.71 2ny0A1 SER 411 HB2 -0.00 -0.00 0.08 -0.04 3.95 3.99 2ny0A1 SER 411 HB3 -0.00 0.08 0.10 -0.04 3.93 4.08 2ny0A1 ASP 412 H 0.00 0.13 0.16 -0.55 8.40 8.15 2ny0A1 ASP 412 HA 0.01 0.04 0.37 -0.75 4.63 4.30 2ny0A1 ASP 412 HB2 0.00 0.05 0.15 -0.04 2.71 2.87 2ny0A1 ASP 412 HB3 0.00 -0.03 0.16 -0.04 2.70 2.79 2ny0A1 THR 413 H -0.00 0.12 -0.07 -0.55 8.28 7.77 2ny0A1 THR 413 HA -0.00 0.07 1.17 -0.75 4.39 4.87 2ny0A1 THR 413 HB -0.01 0.01 -0.07 -0.04 4.32 4.22 2ny0A1 THR 413 HG23 0.00 -0.00 -0.14 -0.04 1.22 1.04 2ny0A1 ILE 414 H -0.03 0.97 0.36 -0.55 8.25 9.00 2ny0A1 ILE 414 HA -0.03 0.14 0.85 -0.75 4.18 4.38 2ny0A1 ILE 414 HB -0.15 -0.08 0.14 -0.04 1.89 1.77 2ny0A1 ILE 414 HG12 -0.02 -0.10 -0.10 -0.04 1.49 1.23 2ny0A1 ILE 414 HG13 -0.10 -0.00 -0.12 -0.04 1.21 0.95 2ny0A1 ILE 414 HG23 -0.12 0.01 -0.20 -0.04 0.93 0.58 2ny0A1 ILE 414 HD13 -0.00 0.03 -0.06 -0.04 0.88 0.81 2ny0A1 THR 415 H -0.02 0.23 0.07 -0.55 8.28 8.01 2ny0A1 THR 415 HA 0.01 0.31 1.05 -0.75 4.39 5.00 2ny0A1 THR 415 HB -0.04 -0.01 0.13 -0.04 4.32 4.36 2ny0A1 THR 415 HG23 -0.09 0.00 -0.19 -0.04 1.22 0.90 2ny0A1 LEU 416 H 0.03 0.60 0.23 -0.55 8.37 8.68 2ny0A1 LEU 416 HA 0.04 0.14 0.78 -0.75 4.35 4.56 2ny0A1 LEU 416 HB2 0.06 -0.07 0.12 -0.04 1.64 1.71 2ny0A1 LEU 416 HB3 0.10 0.05 -0.13 -0.04 1.64 1.63 2ny0A1 LEU 416 HG 0.02 0.31 0.05 -0.04 1.64 1.97 2ny0A1 LEU 416 HD13 -0.09 -0.01 -0.22 -0.04 0.93 0.57 2ny0A1 LEU 416 HD23 -0.08 -0.02 -0.14 -0.04 0.89 0.61 2ny0A1 PRO 417 HA 0.13 0.21 0.73 -0.51 4.44 5.00 2ny0A1 PRO 417 HB2 0.08 0.05 0.09 -0.04 2.28 2.46 2ny0A1 PRO 417 HB3 0.06 0.03 0.17 -0.04 2.02 2.24 2ny0A1 PRO 417 HG2 0.08 -0.06 0.23 -0.04 2.03 2.24 2ny0A1 PRO 417 HG3 0.06 0.03 0.16 -0.04 2.03 2.24 2ny0A1 PRO 417 HD2 0.07 0.13 0.37 -0.04 3.68 4.21 2ny0A1 PRO 417 HD3 0.05 0.25 0.34 -0.04 3.65 4.25 2ny0A1 CYS 418 H 0.15 0.85 0.28 -0.55 8.50 9.24 2ny0A1 CYS 418 HA 0.17 0.27 1.07 -0.75 4.58 5.33 2ny0A1 CYS 418 HB2 0.23 -0.07 -0.39 -0.04 2.97 2.70 2ny0A1 CYS 418 HB3 0.27 -0.09 -0.21 -0.04 2.97 2.90 2ny0A1 ARG 419 H 0.15 0.29 0.16 -0.55 8.46 8.50 2ny0A1 ARG 419 HA -0.00 0.13 0.83 -0.75 4.34 4.55 2ny0A1 ARG 419 HB2 0.05 0.02 -0.20 -0.04 1.90 1.73 2ny0A1 ARG 419 HB3 0.07 -0.02 0.10 -0.04 1.80 1.91 2ny0A1 ARG 419 HG2 -0.05 0.00 -0.21 -0.04 1.67 1.37 2ny0A1 ARG 419 HG3 -0.02 0.04 0.06 -0.04 1.67 1.72 2ny0A1 ARG 419 HD2 0.01 0.01 -0.04 -0.04 3.22 3.15 2ny0A1 ARG 419 HD3 -0.04 -0.05 -0.05 -0.04 3.22 3.05 2ny0A1 ILE 420 H -0.13 0.18 0.16 -0.55 8.25 7.91 2ny0A1 ILE 420 HA -0.16 0.33 0.98 -0.75 4.18 4.58 2ny0A1 ILE 420 HB -0.19 -0.01 0.17 -0.04 1.89 1.82 2ny0A1 ILE 420 HG12 -0.54 -0.01 -0.03 -0.04 1.49 0.87 2ny0A1 ILE 420 HG13 -1.04 0.04 -0.17 -0.04 1.21 -0.00 2ny0A1 ILE 420 HG23 -0.09 -0.01 -0.16 -0.04 0.93 0.63 2ny0A1 ILE 420 HD13 -0.79 -0.01 -0.08 -0.04 0.88 -0.04 2ny0A1 LYS 421 H 0.19 0.53 0.27 -0.55 8.42 8.85 2ny0A1 LYS 421 HA -0.02 0.19 1.02 -0.75 4.32 4.75 2ny0A1 LYS 421 HB2 -0.06 0.03 -0.05 -0.04 1.87 1.75 2ny0A1 LYS 421 HB3 -0.14 -0.09 0.06 -0.04 1.79 1.58 2ny0A1 LYS 421 HG2 -0.19 0.05 -0.19 -0.04 1.46 1.09 2ny0A1 LYS 421 HG3 -0.30 0.05 -0.35 -0.04 1.46 0.81 2ny0A1 LYS 421 HD2 -1.61 -0.01 -0.07 -0.04 1.69 -0.04 2ny0A1 LYS 421 HD3 -0.41 0.00 -0.00 -0.04 1.68 1.22 2ny0A1 LYS 421 HE2 -0.23 0.01 -0.06 -0.04 2.99 2.67 2ny0A1 LYS 421 HE3 -0.46 0.02 -0.08 -0.04 2.99 2.43 2ny0A1 GLN 422 H 0.02 0.05 0.19 -0.55 8.47 8.19 2ny0A1 GLN 422 HA 0.19 0.22 0.82 -0.75 4.36 4.84 2ny0A1 GLN 422 HB2 0.04 -0.07 0.10 -0.04 2.15 2.19 2ny0A1 GLN 422 HB3 0.09 0.16 0.08 -0.04 2.02 2.31 2ny0A1 GLN 422 HG2 0.05 0.01 -0.12 -0.04 2.40 2.30 2ny0A1 GLN 422 HG3 0.10 0.12 -0.36 -0.04 2.39 2.20 2ny0A1 GLN 422 HE21 -0.01 0.07 -0.17 -0.04 6.97 6.82 2ny0A1 GLN 422 HE22 0.03 0.07 -0.23 -0.04 7.69 7.52 2ny0A1 ILE 423 H 0.02 0.00 0.14 -0.55 8.25 7.87 2ny0A1 ILE 423 HA 0.05 0.36 1.15 -0.75 4.18 4.98 2ny0A1 ILE 423 HB -0.02 -0.05 0.18 -0.04 1.89 1.96 2ny0A1 ILE 423 HG12 0.01 0.07 -0.03 -0.04 1.49 1.50 2ny0A1 ILE 423 HG13 0.01 -0.10 -0.04 -0.04 1.21 1.04 2ny0A1 ILE 423 HG23 -0.01 0.00 -0.11 -0.04 0.93 0.77 2ny0A1 ILE 423 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 2ny0A1 ILE 424 H 0.05 0.78 0.36 -0.55 8.25 8.89 2ny0A1 ILE 424 HA 0.07 0.09 0.69 -0.75 4.18 4.28 2ny0A1 ILE 424 HB 0.04 -0.04 -0.05 -0.04 1.89 1.79 2ny0A1 ILE 424 HG12 0.18 0.11 -0.31 -0.04 1.49 1.43 2ny0A1 ILE 424 HG13 -0.40 0.04 -0.16 -0.04 1.21 0.65 2ny0A1 ILE 424 HG23 -0.07 0.06 -0.13 -0.04 0.93 0.76 2ny0A1 ILE 424 HD13 0.26 0.07 -0.52 -0.04 0.88 0.64 2ny0A1 ASN 425 H -0.05 0.09 0.17 -0.55 8.53 8.19 2ny0A1 ASN 425 HA -0.04 0.20 1.03 -0.75 4.76 5.20 2ny0A1 ASN 425 HB2 -0.16 -0.11 0.17 -0.04 2.88 2.74 2ny0A1 ASN 425 HB3 -0.09 0.12 0.09 -0.04 2.79 2.87 2ny0A1 ASN 425 HD21 -0.05 0.02 0.05 -0.04 7.03 7.01 2ny0A1 ASN 425 HD22 -0.09 -0.12 0.09 -0.04 7.74 7.58 2ny0A1 MET 426 H -0.03 0.58 0.23 -0.55 8.47 8.70 2ny0A1 MET 426 HA 0.03 0.01 0.37 -0.75 4.52 4.18 2ny0A1 MET 426 HB2 -0.07 0.16 0.03 -0.04 2.15 2.23 2ny0A1 MET 426 HB3 -0.16 -0.19 -0.01 -0.04 2.03 1.63 2ny0A1 MET 426 HG2 -0.02 0.02 -0.16 -0.04 2.63 2.43 2ny0A1 MET 426 HG3 -0.03 -0.03 -0.41 -0.04 2.56 2.05 2ny0A1 MET 426 HE3 -0.11 -0.01 -0.13 -0.04 2.10 1.80 2ny0A1 TRP 427 H -0.05 0.13 0.18 -0.55 7.97 7.68 2ny0A1 TRP 427 HA -0.03 0.21 0.83 -0.75 4.62 4.88 2ny0A1 TRP 427 HB2 0.06 0.00 0.13 -0.04 3.23 3.38 2ny0A1 TRP 427 HB3 0.11 0.05 0.06 -0.04 3.23 3.40 2ny0A1 TRP 427 HD1 0.35 0.04 0.02 -0.04 7.22 7.60 2ny0A1 TRP 427 HE1 -1.08 0.06 -0.02 -0.04 10.20 9.11 2ny0A1 TRP 427 HE3 0.06 -0.07 -0.18 -0.04 7.59 7.36 2ny0A1 TRP 427 HZ2 -1.81 0.08 -0.06 -0.04 7.44 5.60 2ny0A1 TRP 427 HZ3 -0.25 -0.02 -0.05 -0.04 7.13 6.78 2ny0A1 TRP 427 HH2 -0.31 0.01 -0.25 -0.04 7.19 6.59 2ny0A1 GLN 428 H -0.71 0.04 0.01 -0.55 8.47 7.27 2ny0A1 GLN 428 HA -0.64 0.08 0.39 -0.75 4.36 3.45 2ny0A1 GLN 428 HB2 -0.46 0.02 -0.02 -0.04 2.15 1.66 2ny0A1 GLN 428 HB3 -0.52 0.02 0.06 -0.04 2.02 1.54 2ny0A1 GLN 428 HG2 -0.83 0.08 0.03 -0.04 2.40 1.64 2ny0A1 GLN 428 HG3 -2.98 -0.02 -0.00 -0.04 2.39 -0.65 2ny0A1 GLN 428 HE21 0.09 0.04 -0.02 -0.04 6.97 7.04 2ny0A1 GLN 428 HE22 -0.09 0.07 -0.02 -0.04 7.69 7.62 2ny0A1 LYS 429 H -0.15 0.28 -0.33 -0.55 8.42 7.67 2ny0A1 LYS 429 HA -0.02 0.05 0.29 -0.75 4.32 3.89 2ny0A1 LYS 429 HB2 -0.04 -0.07 0.12 -0.04 1.87 1.84 2ny0A1 LYS 429 HB3 -0.06 0.22 -0.02 -0.04 1.79 1.89 2ny0A1 LYS 429 HG2 -0.12 -0.17 -0.37 -0.04 1.46 0.76 2ny0A1 LYS 429 HG3 -0.06 0.18 -0.36 -0.04 1.46 1.17 2ny0A1 LYS 429 HD2 -0.05 0.01 -0.07 -0.04 1.69 1.54 2ny0A1 LYS 429 HD3 -0.07 0.02 -0.15 -0.04 1.68 1.44 2ny0A1 LYS 429 HE2 -0.09 -0.05 -0.15 -0.04 2.99 2.65 2ny0A1 LYS 429 HE3 -0.06 0.04 -0.13 -0.04 2.99 2.80 2ny0A1 VAL 430 H -0.03 0.11 0.11 -0.55 8.24 7.88 2ny0A1 VAL 430 HA -0.03 0.09 0.57 -0.75 4.13 4.01 2ny0A1 VAL 430 HB -0.02 -0.01 0.20 -0.04 2.12 2.24 2ny0A1 VAL 430 HG13 -0.02 -0.00 -0.06 -0.04 0.97 0.84 2ny0A1 VAL 430 HG23 -0.02 0.00 0.04 -0.04 0.95 0.94 2ny0A1 GLY 431 H -0.04 0.25 0.38 -0.55 8.43 8.47 2ny0A1 GLY 431 HA2 -0.03 -0.02 0.40 -0.51 4.01 3.85 2ny0A1 GLY 431 HA3 -0.04 0.20 0.77 -0.51 4.01 4.43 2ny0A1 LYS 432 H -0.03 0.74 0.47 -0.55 8.42 9.04 2ny0A1 LYS 432 HA -0.02 0.21 1.16 -0.75 4.32 4.92 2ny0A1 LYS 432 HB2 -0.03 -0.05 0.08 -0.04 1.87 1.83 2ny0A1 LYS 432 HB3 -0.02 0.03 -0.02 -0.04 1.79 1.74 2ny0A1 LYS 432 HG2 -0.03 0.08 -0.01 -0.04 1.46 1.46 2ny0A1 LYS 432 HG3 -0.03 -0.05 -0.17 -0.04 1.46 1.17 2ny0A1 LYS 432 HD2 -0.02 -0.02 -0.07 -0.04 1.69 1.54 2ny0A1 LYS 432 HD3 -0.02 0.01 -0.10 -0.04 1.68 1.53 2ny0A1 LYS 432 HE2 -0.03 -0.02 -0.06 -0.04 2.99 2.84 2ny0A1 LYS 432 HE3 -0.02 -0.00 -0.06 -0.04 2.99 2.86 2ny0A1 MET 433 H 0.00 0.68 0.41 -0.55 8.47 9.00 2ny0A1 MET 433 HA -0.07 0.26 1.12 -0.75 4.52 5.08 2ny0A1 MET 433 HB2 0.09 -0.06 0.04 -0.04 2.15 2.18 2ny0A1 MET 433 HB3 -0.18 0.08 0.03 -0.04 2.03 1.92 2ny0A1 MET 433 HG2 -0.04 0.07 0.01 -0.04 2.63 2.63 2ny0A1 MET 433 HG3 0.01 -0.13 -0.34 -0.04 2.56 2.06 2ny0A1 MET 433 HE3 0.25 -0.03 -0.14 -0.04 2.10 2.14 2ny0A1 MET 434 H -0.15 0.68 0.41 -0.55 8.47 8.87 2ny0A1 MET 434 HA 0.03 0.37 1.23 -0.75 4.52 5.40 2ny0A1 MET 434 HB2 -0.03 -0.06 -0.01 -0.04 2.15 2.01 2ny0A1 MET 434 HB3 -0.05 -0.11 0.15 -0.04 2.03 1.98 2ny0A1 MET 434 HG2 0.02 0.23 -0.04 -0.04 2.63 2.80 2ny0A1 MET 434 HG3 0.02 -0.05 -0.02 -0.04 2.56 2.46 2ny0A1 MET 434 HE3 0.00 0.00 -0.08 -0.04 2.10 1.98 2ny0A1 TYR 435 H 0.22 0.69 0.40 -0.55 8.29 9.04 2ny0A1 TYR 435 HA 0.06 0.03 1.03 -0.75 4.56 4.93 2ny0A1 TYR 435 HB2 0.16 0.02 0.15 -0.04 3.06 3.35 2ny0A1 TYR 435 HB3 0.10 0.08 0.17 -0.04 2.98 3.30 2ny0A1 TYR 435 HD2 0.12 0.06 -0.06 -0.04 7.15 7.22 2ny0A1 TYR 435 HE2 0.11 -0.00 -0.39 -0.04 6.85 6.53 2ny0A1 ALA 436 H 0.19 0.17 0.20 -0.55 8.40 8.41 2ny0A1 ALA 436 HA 0.06 0.09 0.69 -0.75 4.34 4.42 2ny0A1 ALA 436 HB3 0.05 0.01 0.13 -0.04 1.41 1.56 2ny0A1 PRO 437 HA 0.03 0.06 0.44 -0.51 4.44 4.46 2ny0A1 PRO 437 HB2 0.01 0.07 -0.01 -0.04 2.28 2.31 2ny0A1 PRO 437 HB3 0.01 0.01 0.12 -0.04 2.02 2.12 2ny0A1 PRO 437 HG2 0.02 0.01 0.09 -0.04 2.03 2.10 2ny0A1 PRO 437 HG3 0.02 0.02 0.10 -0.04 2.03 2.13 2ny0A1 PRO 437 HD2 0.03 0.07 0.21 -0.04 3.68 3.95 2ny0A1 PRO 437 HD3 0.04 0.13 0.25 -0.04 3.65 4.03 2ny0A1 PRO 438 HA -0.00 0.07 0.42 -0.51 4.44 4.42 2ny0A1 PRO 438 HB2 -0.02 0.06 0.01 -0.04 2.28 2.29 2ny0A1 PRO 438 HB3 -0.03 -0.01 0.14 -0.04 2.02 2.08 2ny0A1 PRO 438 HG2 -0.05 0.05 0.08 -0.04 2.03 2.06 2ny0A1 PRO 438 HG3 -0.05 0.05 0.07 -0.04 2.03 2.06 2ny0A1 PRO 438 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 2ny0A1 PRO 438 HD3 -0.00 0.11 0.19 -0.04 3.65 3.91 2ny0A1 ILE 439 H -0.00 0.08 0.18 -0.55 8.25 7.97 2ny0A1 ILE 439 HA 0.00 0.26 0.88 -0.75 4.18 4.57 2ny0A1 ILE 439 HB 0.00 -0.02 0.16 -0.04 1.89 2.00 2ny0A1 ILE 439 HG12 0.00 -0.03 -0.21 -0.04 1.49 1.21 2ny0A1 ILE 439 HG13 0.00 0.00 0.00 -0.04 1.21 1.18 2ny0A1 ILE 439 HG23 0.01 0.03 -0.09 -0.04 0.93 0.84 2ny0A1 ILE 439 HD13 0.00 -0.01 0.00 -0.04 0.88 0.83 2ny0A1 SER 440 H -0.00 0.08 0.07 -0.55 8.46 8.07 2ny0A1 SER 440 HA 0.00 0.21 0.97 -0.75 4.49 4.92 2ny0A1 SER 440 HB2 0.00 0.09 -0.02 -0.04 3.95 3.98 2ny0A1 SER 440 HB3 0.01 0.02 0.06 -0.04 3.93 3.97 2ny0A1 GLY 441 H 0.01 0.21 0.10 -0.55 8.43 8.20 2ny0A1 GLY 441 HA2 0.00 0.19 0.68 -0.51 4.01 4.38 2ny0A1 GLY 441 HA3 0.01 0.05 0.31 -0.51 4.01 3.87 2ny0A1 GLN 442 H 0.01 0.04 -0.31 -0.55 8.47 7.67 2ny0A1 GLN 442 HA 0.02 0.23 0.84 -0.75 4.36 4.70 2ny0A1 GLN 442 HB2 0.01 -0.05 0.05 -0.04 2.15 2.12 2ny0A1 GLN 442 HB3 0.01 0.02 0.16 -0.04 2.02 2.18 2ny0A1 GLN 442 HG2 0.01 0.05 0.00 -0.04 2.40 2.43 2ny0A1 GLN 442 HG3 0.01 -0.01 -0.23 -0.04 2.39 2.12 2ny0A1 GLN 442 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.92 2ny0A1 GLN 442 HE22 0.01 0.01 -0.03 -0.04 7.69 7.64 2ny0A1 ILE 443 H 0.03 0.17 -0.17 -0.55 8.25 7.74 2ny0A1 ILE 443 HA 0.04 0.16 0.73 -0.75 4.18 4.36 2ny0A1 ILE 443 HB 0.12 -0.18 0.15 -0.04 1.89 1.94 2ny0A1 ILE 443 HG12 0.03 0.06 0.01 -0.04 1.49 1.54 2ny0A1 ILE 443 HG13 0.02 -0.03 -0.07 -0.04 1.21 1.08 2ny0A1 ILE 443 HG23 0.22 0.02 -0.17 -0.04 0.93 0.96 2ny0A1 ILE 443 HD13 -0.01 0.01 0.05 -0.04 0.88 0.88 2ny0A1 ARG 444 H 0.02 0.34 0.19 -0.55 8.46 8.46 2ny0A1 ARG 444 HA 0.01 0.25 0.89 -0.75 4.34 4.73 2ny0A1 ARG 444 HB2 -0.01 0.00 0.00 -0.04 1.90 1.86 2ny0A1 ARG 444 HB3 -0.01 0.00 0.01 -0.04 1.80 1.75 2ny0A1 ARG 444 HG2 0.02 -0.15 -1.05 -0.04 1.67 0.44 2ny0A1 ARG 444 HG3 0.00 0.02 -0.17 -0.04 1.67 1.48 2ny0A1 ARG 444 HD2 -0.00 -0.01 -0.07 -0.04 3.22 3.10 2ny0A1 ARG 444 HD3 0.00 0.02 -0.00 -0.04 3.22 3.20 2ny0A1 CYS 445 H -0.07 0.53 0.21 -0.55 8.50 8.61 2ny0A1 CYS 445 HA -0.05 0.05 0.22 -0.75 4.58 4.04 2ny0A1 CYS 445 HB2 -0.07 0.06 0.08 -0.04 2.97 2.99 2ny0A1 CYS 445 HB3 -0.06 0.14 0.16 -0.04 2.97 3.17 2ny0A1 SER 446 H -0.05 0.20 0.14 -0.55 8.46 8.20 2ny0A1 SER 446 HA -0.08 0.23 1.07 -0.75 4.49 4.96 2ny0A1 SER 446 HB2 -0.04 0.01 0.12 -0.04 3.95 4.00 2ny0A1 SER 446 HB3 -0.04 0.02 0.02 -0.04 3.93 3.88 2ny0A1 SER 447 H -0.11 0.62 0.37 -0.55 8.46 8.80 2ny0A1 SER 447 HA -0.07 0.21 0.94 -0.75 4.49 4.82 2ny0A1 SER 447 HB2 -0.15 0.01 -0.04 -0.04 3.95 3.73 2ny0A1 SER 447 HB3 -0.09 -0.05 0.02 -0.04 3.93 3.76 2ny0A1 ASN 448 H -0.04 0.16 0.17 -0.55 8.53 8.27 2ny0A1 ASN 448 HA -0.03 0.20 0.84 -0.75 4.76 5.02 2ny0A1 ASN 448 HB2 -0.01 -0.02 0.11 -0.04 2.88 2.91 2ny0A1 ASN 448 HB3 -0.01 0.06 -0.16 -0.04 2.79 2.65 2ny0A1 ASN 448 HD21 -0.01 0.01 -0.09 -0.04 7.03 6.90 2ny0A1 ASN 448 HD22 -0.01 0.03 -0.06 -0.04 7.74 7.67 2ny0A1 ILE 449 H -0.02 0.79 0.21 -0.55 8.25 8.68 2ny0A1 ILE 449 HA -0.01 0.19 0.80 -0.75 4.18 4.40 2ny0A1 ILE 449 HB 0.10 -0.05 0.23 -0.04 1.89 2.13 2ny0A1 ILE 449 HG12 -0.14 -0.00 -0.05 -0.04 1.49 1.26 2ny0A1 ILE 449 HG13 -0.10 -0.04 -0.03 -0.04 1.21 1.00 2ny0A1 ILE 449 HG23 0.14 -0.00 -0.04 -0.04 0.93 0.99 2ny0A1 ILE 449 HD13 -0.20 -0.00 -0.09 -0.04 0.88 0.55 2ny0A1 THR 450 H 0.02 0.59 0.35 -0.55 8.28 8.69 2ny0A1 THR 450 HA 0.02 0.14 0.79 -0.75 4.39 4.58 2ny0A1 THR 450 HB 0.03 0.16 -0.30 -0.04 4.32 4.16 2ny0A1 THR 450 HG23 0.01 0.06 -0.33 -0.04 1.22 0.93 2ny0A1 GLY 451 H 0.04 0.26 0.30 -0.55 8.43 8.48 2ny0A1 GLY 451 HA2 0.03 0.04 0.54 -0.51 4.01 4.10 2ny0A1 GLY 451 HA3 0.04 0.15 0.49 -0.51 4.01 4.18 2ny0A1 LEU 452 H 0.05 0.46 0.37 -0.55 8.37 8.70 2ny0A1 LEU 452 HA 0.11 0.20 0.99 -0.75 4.35 4.89 2ny0A1 LEU 452 HB2 0.09 -0.08 0.01 -0.04 1.64 1.63 2ny0A1 LEU 452 HB3 0.16 0.10 -0.01 -0.04 1.64 1.85 2ny0A1 LEU 452 HG 0.29 0.08 -0.01 -0.04 1.64 1.95 2ny0A1 LEU 452 HD13 0.04 -0.05 -0.33 -0.04 0.93 0.54 2ny0A1 LEU 452 HD23 0.37 0.01 -0.09 -0.04 0.89 1.13 2ny0A1 LEU 453 H 0.09 0.74 0.23 -0.55 8.37 8.88 2ny0A1 LEU 453 HA 0.06 0.24 0.87 -0.75 4.35 4.77 2ny0A1 LEU 453 HB2 0.05 0.02 -0.07 -0.04 1.64 1.59 2ny0A1 LEU 453 HB3 0.03 -0.08 -0.11 -0.04 1.64 1.45 2ny0A1 LEU 453 HG 0.04 -0.02 -0.47 -0.04 1.64 1.15 2ny0A1 LEU 453 HD13 -0.01 -0.04 -0.14 -0.04 0.93 0.70 2ny0A1 LEU 453 HD23 0.03 0.02 -0.14 -0.04 0.89 0.76 2ny0A1 LEU 454 H 0.09 0.59 0.30 -0.55 8.37 8.81 2ny0A1 LEU 454 HA 0.04 0.20 1.08 -0.75 4.35 4.91 2ny0A1 LEU 454 HB2 0.19 -0.02 -0.05 -0.04 1.64 1.71 2ny0A1 LEU 454 HB3 0.20 0.08 0.01 -0.04 1.64 1.88 2ny0A1 LEU 454 HG 0.13 -0.12 -0.44 -0.04 1.64 1.17 2ny0A1 LEU 454 HD13 0.18 -0.00 -0.18 -0.04 0.93 0.88 2ny0A1 LEU 454 HD23 0.14 0.02 -0.24 -0.04 0.89 0.77 2ny0A1 THR 455 H 0.06 0.71 0.32 -0.55 8.28 8.82 2ny0A1 THR 455 HA 0.08 0.18 0.74 -0.75 4.39 4.64 2ny0A1 THR 455 HB 0.00 0.26 0.03 -0.04 4.32 4.57 2ny0A1 THR 455 HG23 0.01 -0.04 -0.19 -0.04 1.22 0.96 2ny0A1 ARG 456 H 0.02 0.26 0.15 -0.55 8.46 8.33 2ny0A1 ARG 456 HA -0.42 0.26 0.98 -0.75 4.34 4.41 2ny0A1 ARG 456 HB2 -0.18 -0.03 0.02 -0.04 1.90 1.67 2ny0A1 ARG 456 HB3 -0.13 0.04 0.08 -0.04 1.80 1.74 2ny0A1 ARG 456 HG2 -0.46 -0.15 -0.10 -0.04 1.67 0.91 2ny0A1 ARG 456 HG3 -1.25 0.05 0.04 -0.04 1.67 0.47 2ny0A1 ARG 456 HD2 -0.76 -0.03 -0.02 -0.04 3.22 2.37 2ny0A1 ARG 456 HD3 -1.22 0.01 -0.06 -0.04 3.22 1.91 2ny0A1 ASP 457 H -0.34 0.53 0.32 -0.55 8.40 8.36 2ny0A1 ASP 457 HA -0.10 0.05 0.40 -0.75 4.63 4.22 2ny0A1 ASP 457 HB2 -0.19 -0.13 0.28 -0.04 2.71 2.63 2ny0A1 ASP 457 HB3 -0.11 0.13 0.04 -0.04 2.70 2.72 2ny0A1 GLY 458 H -0.23 -0.01 0.09 -0.55 8.43 7.73 2ny0A1 GLY 458 HA2 -0.12 0.05 0.33 -0.51 4.01 3.76 2ny0A1 GLY 458 HA3 -0.08 0.01 0.48 -0.51 4.01 3.91 2ny0A1 GLY 459 H -0.03 0.02 0.13 -0.55 8.43 8.00 2ny0A1 GLY 459 HA2 -0.02 -0.08 0.41 -0.51 4.01 3.81 2ny0A1 GLY 459 HA3 -0.03 0.20 0.62 -0.51 4.01 4.28 2ny0A1 ASN 460 H -0.01 0.08 0.13 -0.55 8.53 8.17 2ny0A1 ASN 460 HA -0.01 0.02 0.41 -0.75 4.76 4.42 2ny0A1 ASN 460 HB2 -0.01 0.00 0.19 -0.04 2.88 3.02 2ny0A1 ASN 460 HB3 -0.00 0.01 0.04 -0.04 2.79 2.79 2ny0A1 ASN 460 HD21 -0.00 0.00 0.04 -0.04 7.03 7.04 2ny0A1 ASN 460 HD22 -0.00 0.01 0.05 -0.04 7.74 7.75 2ny0A1 SER 461 H -0.01 0.23 0.19 -0.55 8.46 8.32 2ny0A1 SER 461 HA -0.01 0.02 0.73 -0.75 4.49 4.48 2ny0A1 SER 461 HB2 -0.02 0.12 -0.28 -0.04 3.95 3.73 2ny0A1 SER 461 HB3 -0.03 0.13 0.12 -0.04 3.93 4.11 2ny0A1 ASN 462 H -0.01 0.16 0.10 -0.55 8.53 8.24 2ny0A1 ASN 462 HA -0.00 0.12 0.45 -0.75 4.76 4.57 2ny0A1 ASN 462 HB2 0.00 0.02 0.15 -0.04 2.88 3.01 2ny0A1 ASN 462 HB3 -0.00 -0.02 0.11 -0.04 2.79 2.84 2ny0A1 ASN 462 HD21 -0.00 -0.00 -0.03 -0.04 7.03 6.96 2ny0A1 ASN 462 HD22 0.00 0.01 0.00 -0.04 7.74 7.71 2ny0A1 ASN 463 H -0.01 -0.05 -0.77 -0.55 8.53 7.15 2ny0A1 ASN 463 HA 0.00 0.02 0.51 -0.75 4.76 4.53 2ny0A1 ASN 463 HB2 -0.01 -0.06 0.03 -0.04 2.88 2.80 2ny0A1 ASN 463 HB3 -0.02 0.09 0.05 -0.04 2.79 2.88 2ny0A1 ASN 463 HD21 -0.00 -0.01 -0.09 -0.04 7.03 6.89 2ny0A1 ASN 463 HD22 -0.01 0.01 -0.06 -0.04 7.74 7.64 2ny0A1 GLU 464 H 0.01 0.12 0.14 -0.55 8.60 8.32 2ny0A1 GLU 464 HA 0.01 0.16 0.58 -0.75 4.29 4.29 2ny0A1 GLU 464 HB2 0.02 -0.03 0.28 -0.04 2.09 2.32 2ny0A1 GLU 464 HB3 0.02 0.11 0.17 -0.04 1.99 2.26 2ny0A1 GLU 464 HG2 0.01 0.03 -0.02 -0.04 2.34 2.32 2ny0A1 GLU 464 HG3 0.01 0.00 0.12 -0.04 2.34 2.43 2ny0A1 SER 465 H -0.01 0.64 -0.11 -0.55 8.46 8.43 2ny0A1 SER 465 HA 0.04 0.12 0.65 -0.75 4.49 4.55 2ny0A1 SER 465 HB2 0.02 0.06 -0.01 -0.04 3.95 3.98 2ny0A1 SER 465 HB3 0.02 0.02 -0.14 -0.04 3.93 3.79 2ny0A1 GLU 466 H 0.02 0.70 0.31 -0.55 8.60 9.09 2ny0A1 GLU 466 HA -0.21 0.15 1.04 -0.75 4.29 4.52 2ny0A1 GLU 466 HB2 0.08 -0.01 0.04 -0.04 2.09 2.16 2ny0A1 GLU 466 HB3 -0.67 -0.01 -0.02 -0.04 1.99 1.25 2ny0A1 GLU 466 HG2 -0.04 -0.03 -0.31 -0.04 2.34 1.92 2ny0A1 GLU 466 HG3 -0.14 0.01 -0.11 -0.04 2.34 2.06 2ny0A1 ILE 467 H -0.36 0.10 0.24 -0.55 8.25 7.68 2ny0A1 ILE 467 HA -0.12 0.29 1.01 -0.75 4.18 4.61 2ny0A1 ILE 467 HB -0.17 -0.10 0.14 -0.04 1.89 1.72 2ny0A1 ILE 467 HG12 -0.12 -0.04 -0.03 -0.04 1.49 1.25 2ny0A1 ILE 467 HG13 -0.07 0.03 -0.02 -0.04 1.21 1.10 2ny0A1 ILE 467 HG23 -0.02 0.02 -0.13 -0.04 0.93 0.76 2ny0A1 ILE 467 HD13 -0.03 0.02 -0.20 -0.04 0.88 0.63 2ny0A1 PHE 468 H 0.06 0.75 0.45 -0.55 8.34 9.05 2ny0A1 PHE 468 HA -0.04 0.27 1.08 -0.75 4.62 5.17 2ny0A1 PHE 468 HB2 -0.14 -0.01 0.05 -0.04 3.15 3.00 2ny0A1 PHE 468 HB3 0.06 -0.01 -0.04 -0.04 3.06 3.02 2ny0A1 PHE 468 HD2 -0.18 0.07 -0.19 -0.04 7.28 6.94 2ny0A1 PHE 468 HE2 -0.18 0.01 -0.14 -0.04 7.38 7.03 2ny0A1 PHE 468 HZ -0.52 0.02 -0.15 -0.04 7.32 6.64 2ny0A1 ARG 469 H 0.09 0.60 0.37 -0.55 8.46 8.96 2ny0A1 ARG 469 HA 0.01 0.39 1.01 -0.75 4.34 5.00 2ny0A1 ARG 469 HB2 -0.01 -0.08 0.01 -0.04 1.90 1.78 2ny0A1 ARG 469 HB3 -0.02 0.04 -0.09 -0.04 1.80 1.69 2ny0A1 ARG 469 HG2 0.05 0.17 -0.24 -0.04 1.67 1.60 2ny0A1 ARG 469 HG3 0.01 -0.18 -0.42 -0.04 1.67 1.03 2ny0A1 ARG 469 HD2 -0.01 -0.06 -0.06 -0.04 3.22 3.04 2ny0A1 ARG 469 HD3 0.01 0.06 -0.02 -0.04 3.22 3.23 2ny0A1 PRO 470 HA -0.22 0.14 0.66 -0.51 4.44 4.51 2ny0A1 PRO 470 HB2 -0.15 0.07 0.04 -0.04 2.28 2.20 2ny0A1 PRO 470 HB3 -0.93 -0.01 0.13 -0.04 2.02 1.17 2ny0A1 PRO 470 HG2 -0.13 0.01 0.17 -0.04 2.03 2.04 2ny0A1 PRO 470 HG3 -0.34 -0.03 0.08 -0.04 2.03 1.70 2ny0A1 PRO 470 HD2 -0.16 0.16 0.17 -0.04 3.68 3.81 2ny0A1 PRO 470 HD3 -0.83 0.17 0.20 -0.04 3.65 3.14 2ny0A1 GLY 471 H -0.01 0.70 0.28 -0.55 8.43 8.86 2ny0A1 GLY 471 HA2 0.00 0.28 0.84 -0.51 4.01 4.63 2ny0A1 GLY 471 HA3 0.01 -0.09 0.25 -0.51 4.01 3.66 2ny0A1 GLY 472 H 0.01 0.12 0.11 -0.55 8.43 8.12 2ny0A1 GLY 472 HA2 -0.00 -0.02 0.37 -0.51 4.01 3.85 2ny0A1 GLY 472 HA3 0.03 0.10 0.92 -0.51 4.01 4.55 2ny0A1 GLY 473 H 0.01 0.20 0.04 -0.55 8.43 8.13 2ny0A1 GLY 473 HA2 0.03 0.09 0.30 -0.51 4.01 3.92 2ny0A1 GLY 473 HA3 -0.00 0.20 0.72 -0.51 4.01 4.42 2ny0A1 ASP 474 H -0.03 0.13 -0.11 -0.55 8.40 7.84 2ny0A1 ASP 474 HA 0.01 0.24 0.80 -0.75 4.63 4.93 2ny0A1 ASP 474 HB2 -0.04 0.11 0.07 -0.04 2.71 2.82 2ny0A1 ASP 474 HB3 -0.08 -0.07 0.20 -0.04 2.70 2.72 2ny0A1 MET 475 H 0.03 0.37 0.16 -0.55 8.47 8.49 2ny0A1 MET 475 HA -0.53 0.09 0.36 -0.75 4.52 3.68 2ny0A1 MET 475 HB2 0.16 0.04 0.05 -0.04 2.15 2.37 2ny0A1 MET 475 HB3 -1.11 0.05 0.10 -0.04 2.03 1.04 2ny0A1 MET 475 HG2 -0.05 0.09 0.06 -0.04 2.63 2.69 2ny0A1 MET 475 HG3 -1.07 0.05 0.00 -0.04 2.56 1.51 2ny0A1 MET 475 HE3 0.08 0.05 -0.12 -0.04 2.10 2.07 2ny0A1 ARG 476 H -0.27 0.08 -0.47 -0.55 8.46 7.24 2ny0A1 ARG 476 HA -0.19 0.12 0.49 -0.75 4.34 4.00 2ny0A1 ARG 476 HB2 -0.17 -0.00 -0.01 -0.04 1.90 1.68 2ny0A1 ARG 476 HB3 -0.07 0.03 -0.02 -0.04 1.80 1.70 2ny0A1 ARG 476 HG2 -0.17 0.06 -0.04 -0.04 1.67 1.47 2ny0A1 ARG 476 HG3 -0.60 -0.03 -0.00 -0.04 1.67 1.00 2ny0A1 ARG 476 HD2 -0.15 0.00 -0.02 -0.04 3.22 3.01 2ny0A1 ARG 476 HD3 -0.10 -0.00 -0.05 -0.04 3.22 3.03 2ny0A1 ASP 477 H -0.19 0.33 -0.14 -0.55 8.40 7.84 2ny0A1 ASP 477 HA -0.03 0.08 0.52 -0.75 4.63 4.44 2ny0A1 ASP 477 HB2 -0.10 0.14 0.14 -0.04 2.71 2.85 2ny0A1 ASP 477 HB3 -0.02 0.03 -0.04 -0.04 2.70 2.63 2ny0A1 ASN 478 H -0.38 0.13 -0.27 -0.55 8.53 7.45 2ny0A1 ASN 478 HA -0.08 0.05 0.34 -0.75 4.76 4.31 2ny0A1 ASN 478 HB2 -1.33 0.21 0.16 -0.04 2.88 1.88 2ny0A1 ASN 478 HB3 -0.38 0.06 0.02 -0.04 2.79 2.45 2ny0A1 ASN 478 HD21 -0.15 0.21 0.03 -0.04 7.03 7.08 2ny0A1 ASN 478 HD22 -0.21 0.09 0.04 -0.04 7.74 7.62 2ny0A1 TRP 479 H -0.46 0.38 -0.14 -0.55 7.97 7.20 2ny0A1 TRP 479 HA 0.08 0.11 0.48 -0.75 4.62 4.54 2ny0A1 TRP 479 HB2 0.08 0.01 0.09 -0.04 3.23 3.37 2ny0A1 TRP 479 HB3 0.07 -0.03 0.04 -0.04 3.23 3.27 2ny0A1 TRP 479 HD1 0.17 0.01 -0.01 -0.04 7.22 7.36 2ny0A1 TRP 479 HE1 0.61 -0.05 -0.10 -0.04 10.20 10.62 2ny0A1 TRP 479 HE3 0.05 0.01 -0.30 -0.04 7.59 7.31 2ny0A1 TRP 479 HZ2 -0.18 -0.03 -0.10 -0.04 7.44 7.09 2ny0A1 TRP 479 HZ3 -0.00 0.09 -0.05 -0.04 7.13 7.12 2ny0A1 TRP 479 HH2 -0.14 0.09 -0.36 -0.04 7.19 6.74 2ny0A1 ARG 480 H 0.19 0.62 -0.15 -0.55 8.46 8.56 2ny0A1 ARG 480 HA 0.35 -0.03 0.41 -0.75 4.34 4.31 2ny0A1 ARG 480 HB2 0.17 0.12 0.20 -0.04 1.90 2.35 2ny0A1 ARG 480 HB3 0.56 -0.03 -0.08 -0.04 1.80 2.22 2ny0A1 ARG 480 HG2 0.18 0.08 0.05 -0.04 1.67 1.94 2ny0A1 ARG 480 HG3 0.09 -0.02 0.06 -0.04 1.67 1.75 2ny0A1 ARG 480 HD2 -0.15 -0.05 -0.04 -0.04 3.22 2.94 2ny0A1 ARG 480 HD3 -0.66 -0.03 -0.07 -0.04 3.22 2.42 2ny0A1 SER 481 H 0.23 0.35 -0.57 -0.55 8.46 7.93 2ny0A1 SER 481 HA 0.23 0.04 0.37 -0.75 4.49 4.38 2ny0A1 SER 481 HB2 0.12 -0.02 0.04 -0.04 3.95 4.05 2ny0A1 SER 481 HB3 0.13 0.00 0.03 -0.04 3.93 4.05 2ny0A1 GLU 482 H 0.32 0.30 -0.51 -0.55 8.60 8.16 2ny0A1 GLU 482 HA 0.30 0.19 0.88 -0.75 4.29 4.91 2ny0A1 GLU 482 HB2 0.26 0.10 0.09 -0.04 2.09 2.49 2ny0A1 GLU 482 HB3 0.25 -0.04 -0.01 -0.04 1.99 2.16 2ny0A1 GLU 482 HG2 0.25 0.04 -0.17 -0.04 2.34 2.41 2ny0A1 GLU 482 HG3 0.23 -0.01 -0.01 -0.04 2.34 2.51 2ny0A1 LEU 483 H 0.30 0.35 0.11 -0.55 8.37 8.58 2ny0A1 LEU 483 HA 0.38 0.15 0.68 -0.75 4.35 4.81 2ny0A1 LEU 483 HB2 0.22 0.04 -0.03 -0.04 1.64 1.83 2ny0A1 LEU 483 HB3 0.16 -0.08 0.07 -0.04 1.64 1.75 2ny0A1 LEU 483 HG 0.12 0.07 -0.10 -0.04 1.64 1.70 2ny0A1 LEU 483 HD13 0.02 -0.05 -0.22 -0.04 0.93 0.64 2ny0A1 LEU 483 HD23 -0.12 0.00 -0.08 -0.04 0.89 0.66 2ny0A1 TYR 484 H 0.32 0.29 -0.28 -0.55 8.29 8.07 2ny0A1 TYR 484 HA 0.37 0.01 0.38 -0.75 4.56 4.57 2ny0A1 TYR 484 HB2 -0.34 -0.09 -0.02 -0.04 3.06 2.58 2ny0A1 TYR 484 HB3 0.02 0.24 0.08 -0.04 2.98 3.28 2ny0A1 TYR 484 HD2 -0.05 -0.03 -0.39 -0.04 7.15 6.64 2ny0A1 TYR 484 HE2 -0.03 0.05 -0.06 -0.04 6.85 6.76 2ny0A1 LYS 485 H -0.64 0.13 -0.50 -0.55 8.42 6.86 2ny0A1 LYS 485 HA -0.02 0.11 0.65 -0.75 4.32 4.30 2ny0A1 LYS 485 HB2 -0.42 0.06 0.20 -0.04 1.87 1.67 2ny0A1 LYS 485 HB3 -0.50 0.00 -0.02 -0.04 1.79 1.24 2ny0A1 LYS 485 HG2 -0.94 0.03 -0.05 -0.04 1.46 0.46 2ny0A1 LYS 485 HG3 -1.22 -0.03 -0.17 -0.04 1.46 -0.00 2ny0A1 LYS 485 HD2 -0.43 0.03 -0.02 -0.04 1.69 1.24 2ny0A1 LYS 485 HD3 -0.35 0.03 -0.01 -0.04 1.68 1.30 2ny0A1 LYS 485 HE2 -0.31 0.06 -0.01 -0.04 2.99 2.69 2ny0A1 LYS 485 HE3 -0.24 -0.06 -0.02 -0.04 2.99 2.63 2ny0A1 TYR 486 H 0.17 0.53 -0.23 -0.55 8.29 8.21 2ny0A1 TYR 486 HA 0.22 0.35 1.11 -0.75 4.56 5.48 2ny0A1 TYR 486 HB2 0.02 -0.00 0.03 -0.04 3.06 3.07 2ny0A1 TYR 486 HB3 0.05 -0.05 0.00 -0.04 2.98 2.94 2ny0A1 TYR 486 HD2 0.04 0.01 -0.06 -0.04 7.15 7.10 2ny0A1 TYR 486 HE2 0.13 0.11 -0.04 -0.04 6.85 7.01 2ny0A1 LYS 487 H 0.25 0.52 0.28 -0.55 8.42 8.92 2ny0A1 LYS 487 HA 0.05 -0.01 0.66 -0.75 4.32 4.27 2ny0A1 LYS 487 HB2 -0.20 0.06 -0.02 -0.04 1.87 1.66 2ny0A1 LYS 487 HB3 -0.45 0.03 -0.16 -0.04 1.79 1.17 2ny0A1 LYS 487 HG2 -0.15 -0.05 -0.48 -0.04 1.46 0.75 2ny0A1 LYS 487 HG3 -0.16 0.01 -0.02 -0.04 1.46 1.25 2ny0A1 LYS 487 HD2 -0.99 0.03 -0.11 -0.04 1.69 0.58 2ny0A1 LYS 487 HD3 -0.67 -0.07 -0.17 -0.04 1.68 0.73 2ny0A1 LYS 487 HE2 -0.21 -0.09 -0.05 -0.04 2.99 2.60 2ny0A1 LYS 487 HE3 -0.14 -0.03 -0.10 -0.04 2.99 2.69 2ny0A1 VAL 488 H -0.02 0.08 0.19 -0.55 8.24 7.95 2ny0A1 VAL 488 HA 0.07 0.35 1.02 -0.75 4.13 4.82 2ny0A1 VAL 488 HB 0.00 -0.01 -0.05 -0.04 2.12 2.02 2ny0A1 VAL 488 HG13 -0.11 -0.03 0.05 -0.04 0.97 0.84 2ny0A1 VAL 488 HG23 -0.04 0.02 -0.14 -0.04 0.95 0.74 2ny0A1 VAL 489 H 0.16 0.63 0.38 -0.55 8.24 8.86 2ny0A1 VAL 489 HA 0.15 0.15 1.03 -0.75 4.13 4.70 2ny0A1 VAL 489 HB 0.02 -0.01 -0.21 -0.04 2.12 1.88 2ny0A1 VAL 489 HG13 0.06 0.04 -0.15 -0.04 0.97 0.87 2ny0A1 VAL 489 HG23 0.03 0.04 0.02 -0.04 0.95 1.00 2ny0A1 LYS 490 H 0.15 0.12 0.16 -0.55 8.42 8.30 2ny0A1 LYS 490 HA -0.27 0.17 0.62 -0.75 4.32 4.09 2ny0A1 LYS 490 HB2 0.02 -0.05 0.20 -0.04 1.87 2.00 2ny0A1 LYS 490 HB3 -0.08 0.03 0.00 -0.04 1.79 1.70 2ny0A1 LYS 490 HG2 -0.04 -0.01 0.05 -0.04 1.46 1.42 2ny0A1 LYS 490 HG3 -0.34 0.10 0.07 -0.04 1.46 1.25 2ny0A1 LYS 490 HD2 0.66 -0.03 -0.01 -0.04 1.69 2.27 2ny0A1 LYS 490 HD3 0.16 -0.02 0.09 -0.04 1.68 1.87 2ny0A1 LYS 490 HE2 0.29 -0.02 0.00 -0.04 2.99 3.23 2ny0A1 LYS 490 HE3 0.12 -0.01 0.02 -0.04 2.99 3.08 2ny0A1 ILE 491 H -0.16 0.49 0.22 -0.55 8.25 8.25 2ny0A1 ILE 491 HA -0.02 0.22 0.71 -0.75 4.18 4.33 2ny0A1 ILE 491 HB -0.02 -0.02 -0.00 -0.04 1.89 1.81 2ny0A1 ILE 491 HG12 -0.06 0.04 -0.26 -0.04 1.49 1.17 2ny0A1 ILE 491 HG13 -0.08 -0.00 -0.10 -0.04 1.21 0.98 2ny0A1 ILE 491 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 2ny0A1 ILE 491 HD13 0.00 -0.01 -0.21 -0.04 0.88 0.62