============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TRP 1 1.040 4.806 72.871 67.298 -99.200 -91.000 TRP6 1 1.020 5.239 72.695 69.615 -99.200 -91.000 HIS 4 0.900 12.445 72.476 65.385 -99.200 -91.000 TYR 20 0.840 21.853 92.301 68.869 -99.200 -91.000 PHE 42 1.000 40.270 95.913 65.892 -99.200 -91.000 TYR 59 0.840 31.547 65.525 61.723 -99.200 -91.000 TYR 63 0.840 44.179 65.621 55.704 -99.200 -91.000 TYR 68 0.840 37.838 58.503 57.895 -99.200 -91.000 TYR 69 0.840 31.203 60.501 57.510 -99.200 -91.000 HIS 74 0.900 29.668 71.905 45.823 -99.200 -91.000 TYR 90 0.840 52.843 82.978 54.028 -99.200 -91.000 TRP 97 1.040 58.058 75.407 50.760 -99.200 -91.000 TRP6 97 1.020 58.393 75.239 53.090 -99.200 -91.000 TYR 104 0.840 39.648 71.344 65.102 -99.200 -91.000 PHE 111 1.000 50.193 67.782 71.521 -99.200 -91.000 TYR 114 0.840 55.453 70.949 69.238 -99.200 -91.000 HIS 121 0.900 58.055 60.133 77.268 -99.200 -91.000 HIS 134 0.900 52.436 80.279 72.533 -99.200 -91.000 HIS 137 0.900 57.382 78.396 70.347 -99.200 -91.000 PHE 139 1.000 55.178 77.399 81.997 -99.200 -91.000 PHE 152 1.000 50.503 64.583 76.508 -99.200 -91.000 PHE 153 1.000 55.578 65.790 71.899 -99.200 -91.000 TYR 158 0.840 66.297 78.801 71.458 -99.200 -91.000 TYR 166 0.840 69.742 91.739 68.905 -99.200 -91.000 TYR 169 0.840 70.496 83.196 66.813 -99.200 -91.000 PHE 179 1.000 67.090 68.549 75.417 -99.200 -91.000 HIS 180 0.900 72.758 63.950 72.055 -99.200 -91.000 TYR 191 0.840 64.231 87.963 69.624 -99.200 -91.000 TYR 197 0.840 63.265 82.430 60.472 -99.200 -91.000 TYR 210 0.840 62.268 66.473 60.531 -99.200 -91.000 HIS 217 0.900 52.894 87.889 68.336 -99.200 -91.000 PHE 231 1.000 56.845 79.648 54.557 -99.200 -91.000 HIS 233 0.900 67.517 80.597 55.720 -99.200 -91.000 HIS 235 0.900 64.548 70.986 58.062 -99.200 -91.000 HIS 242 0.900 44.568 83.801 65.741 -99.200 -91.000 PHE 254 1.000 52.207 77.738 54.793 -99.200 -91.000 TYR 255 0.840 53.027 69.320 54.073 -99.200 -91.000 TYR 265 0.840 62.859 68.082 52.834 -99.200 -91.000 PHE 276 1.000 40.457 62.252 60.394 -99.200 -91.000 HIS 284 0.900 35.969 73.123 64.090 -99.200 -91.000 HIS 286 0.900 32.826 76.829 61.039 -99.200 -91.000 PHE 303 1.000 47.843 91.472 54.733 -99.200 -91.000 TYR 306 0.840 47.421 95.971 58.375 -99.200 -91.000 TYR 326 0.840 58.338 105.550 79.031 -99.200 -91.000 HIS 336 0.900 54.262 91.960 65.398 -99.200 -91.000 PHE 397 1.000 50.483 103.303 66.211 -99.200 -91.000 HIS 402 0.900 53.438 112.869 73.609 -99.200 -91.000 PHE 403 1.000 45.939 110.136 74.382 -99.200 -91.000 HIS 405 0.900 55.810 109.983 79.850 -99.200 -91.000 PHE 427 1.000 49.990 100.221 91.359 -99.200 -91.000 HIS 437 0.900 46.494 108.326 92.816 -99.200 -91.000 PHE 451 1.000 44.228 109.533 68.854 -99.200 -91.000 PHE 455 1.000 42.345 107.098 64.762 -99.200 -91.000 PHE 463 1.000 28.632 92.098 65.016 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1rvyA1 TRP 15 HA 0.01 0.02 0.20 -0.75 4.62 4.10 1rvyA1 TRP 15 HB2 0.01 0.12 0.08 -0.04 3.23 3.40 1rvyA1 TRP 15 HB3 0.10 -0.30 0.04 -0.04 3.23 3.04 1rvyA1 TRP 15 HD1 0.02 -1.45 0.28 -0.04 7.22 6.02 1rvyA1 TRP 15 HE1 0.01 0.08 0.06 -0.04 10.20 10.31 1rvyA1 TRP 15 HE3 0.04 0.02 0.02 -0.04 7.59 7.63 1rvyA1 TRP 15 HZ2 0.01 0.04 0.02 -0.04 7.44 7.46 1rvyA1 TRP 15 HZ3 0.02 0.05 0.01 -0.04 7.13 7.16 1rvyA1 TRP 15 HH2 0.01 0.04 0.01 -0.04 7.19 7.21 1rvyA1 SER 16 H 1.28 0.15 0.10 -0.55 8.46 9.45 1rvyA1 SER 16 HA 0.14 0.09 0.38 -0.75 4.49 4.35 1rvyA1 SER 16 HB2 -0.11 -0.07 0.14 -0.04 3.95 3.87 1rvyA1 SER 16 HB3 0.04 0.06 0.06 -0.04 3.93 4.04 1rvyA1 SER 17 H -0.63 0.01 -0.20 -0.55 8.46 7.10 1rvyA1 SER 17 HA -0.14 0.18 0.73 -0.75 4.49 4.50 1rvyA1 SER 17 HB2 -0.27 0.04 0.00 -0.04 3.95 3.68 1rvyA1 SER 17 HB3 -0.42 0.00 0.01 -0.04 3.93 3.48 1rvyA1 HIS 18 H 0.09 -0.00 -0.19 -0.55 8.41 7.77 1rvyA1 HIS 18 HA -0.01 0.01 0.32 -0.75 4.63 4.20 1rvyA1 HIS 18 HB2 0.26 -0.09 0.11 -0.04 3.26 3.51 1rvyA1 HIS 18 HB3 0.16 0.25 0.07 -0.04 3.20 3.63 1rvyA1 HIS 18 HD2 0.11 -0.03 0.04 -0.04 6.97 7.04 1rvyA1 HIS 18 HE1 0.04 0.00 -0.01 -0.04 7.75 7.74 1rvyA1 GLU 19 H 0.10 0.36 -0.42 -0.55 8.60 8.10 1rvyA1 GLU 19 HA 0.04 0.06 0.43 -0.75 4.29 4.07 1rvyA1 GLU 19 HB2 0.08 0.05 0.06 -0.04 2.09 2.24 1rvyA1 GLU 19 HB3 0.03 -0.01 0.12 -0.04 1.99 2.10 1rvyA1 GLU 19 HG2 0.01 -0.01 -0.22 -0.04 2.34 2.08 1rvyA1 GLU 19 HG3 0.03 -0.01 -0.05 -0.04 2.34 2.26 1rvyA1 GLN 20 H -0.02 0.17 0.01 -0.55 8.47 8.08 1rvyA1 GLN 20 HA -0.04 -0.00 0.29 -0.75 4.36 3.85 1rvyA1 GLN 20 HB2 -0.06 0.01 -0.03 -0.04 2.15 2.02 1rvyA1 GLN 20 HB3 -0.04 -0.02 0.11 -0.04 2.02 2.03 1rvyA1 GLN 20 HG2 -0.05 -0.07 0.21 -0.04 2.40 2.45 1rvyA1 GLN 20 HG3 -0.09 0.05 0.17 -0.04 2.39 2.48 1rvyA1 GLN 20 HE21 -0.03 -0.12 0.05 -0.04 6.97 6.82 1rvyA1 GLN 20 HE22 -0.02 0.30 0.30 -0.04 7.69 8.22 1rvyA1 MET 21 H -0.11 0.41 -0.56 -0.55 8.47 7.66 1rvyA1 MET 21 HA -0.09 -0.03 0.40 -0.75 4.52 4.05 1rvyA1 MET 21 HB2 -0.14 -0.06 0.03 -0.04 2.15 1.95 1rvyA1 MET 21 HB3 -0.23 0.21 0.15 -0.04 2.03 2.12 1rvyA1 MET 21 HG2 -0.12 0.03 -0.18 -0.04 2.63 2.31 1rvyA1 MET 21 HG3 -0.09 -0.03 0.01 -0.04 2.56 2.41 1rvyA1 MET 21 HE3 -0.13 0.01 0.00 -0.04 2.10 1.94 1rvyA1 LEU 22 H -0.15 0.48 0.12 -0.55 8.37 8.26 1rvyA1 LEU 22 HA -0.08 0.01 0.40 -0.75 4.35 3.93 1rvyA1 LEU 22 HB2 -0.06 0.08 0.13 -0.04 1.64 1.75 1rvyA1 LEU 22 HB3 -0.04 -0.06 0.12 -0.04 1.64 1.62 1rvyA1 LEU 22 HG -0.31 0.14 0.17 -0.04 1.64 1.60 1rvyA1 LEU 22 HD13 0.04 -0.03 0.03 -0.04 0.93 0.93 1rvyA1 LEU 22 HD23 -0.07 -0.02 0.04 -0.04 0.89 0.80 1rvyA1 ALA 23 H -0.05 0.29 -0.57 -0.55 8.40 7.53 1rvyA1 ALA 23 HA -0.02 0.18 0.95 -0.75 4.34 4.70 1rvyA1 ALA 23 HB3 -0.02 -0.04 -0.02 -0.04 1.41 1.29 1rvyA1 GLN 24 H -0.05 0.37 -0.05 -0.55 8.47 8.20 1rvyA1 GLN 24 HA -0.04 -0.00 0.52 -0.75 4.36 4.09 1rvyA1 GLN 24 HB2 -0.05 0.16 0.18 -0.04 2.15 2.40 1rvyA1 GLN 24 HB3 -0.05 0.09 0.18 -0.04 2.02 2.20 1rvyA1 GLN 24 HG2 -0.05 0.00 0.01 -0.04 2.40 2.32 1rvyA1 GLN 24 HG3 -0.05 -0.05 0.12 -0.04 2.39 2.37 1rvyA1 GLN 24 HE21 -0.06 -0.03 -0.07 -0.04 6.97 6.78 1rvyA1 GLN 24 HE22 -0.05 -0.02 -0.02 -0.04 7.69 7.55 1rvyA1 PRO 25 HA -0.01 0.22 0.64 -0.51 4.44 4.78 1rvyA1 PRO 25 HB2 -0.05 -0.16 0.06 -0.04 2.28 2.09 1rvyA1 PRO 25 HB3 -0.02 0.04 0.15 -0.04 2.02 2.15 1rvyA1 PRO 25 HG2 -0.03 0.03 0.09 -0.04 2.03 2.07 1rvyA1 PRO 25 HG3 -0.02 0.15 0.05 -0.04 2.03 2.17 1rvyA1 PRO 25 HD2 -0.04 0.01 0.22 -0.04 3.68 3.83 1rvyA1 PRO 25 HD3 -0.03 0.21 0.24 -0.04 3.65 4.03 1rvyA1 LEU 26 H 0.03 0.20 0.18 -0.55 8.37 8.23 1rvyA1 LEU 26 HA 0.02 0.12 0.40 -0.75 4.35 4.14 1rvyA1 LEU 26 HB2 0.07 0.09 0.12 -0.04 1.64 1.87 1rvyA1 LEU 26 HB3 0.14 -0.01 0.14 -0.04 1.64 1.86 1rvyA1 LEU 26 HG 0.22 0.00 -0.26 -0.04 1.64 1.57 1rvyA1 LEU 26 HD13 0.05 -0.02 0.03 -0.04 0.93 0.95 1rvyA1 LEU 26 HD23 0.12 0.01 -0.04 -0.04 0.89 0.94 1rvyA1 LYS 27 H -0.07 0.09 -0.11 -0.55 8.42 7.78 1rvyA1 LYS 27 HA -0.67 0.08 0.27 -0.75 4.32 3.24 1rvyA1 LYS 27 HB2 -0.65 0.04 0.07 -0.04 1.87 1.29 1rvyA1 LYS 27 HB3 -0.27 -0.04 0.01 -0.04 1.79 1.45 1rvyA1 LYS 27 HG2 -0.35 0.01 -0.24 -0.04 1.46 0.83 1rvyA1 LYS 27 HG3 -1.06 0.01 0.02 -0.04 1.46 0.39 1rvyA1 LYS 27 HD2 -0.34 0.05 -0.01 -0.04 1.69 1.35 1rvyA1 LYS 27 HD3 -0.19 -0.01 -0.04 -0.04 1.68 1.39 1rvyA1 LYS 27 HE2 -0.14 -0.02 -0.04 -0.04 2.99 2.75 1rvyA1 LYS 27 HE3 -0.20 0.00 -0.02 -0.04 2.99 2.73 1rvyA1 ASP 28 H -0.11 0.08 -0.50 -0.55 8.40 7.33 1rvyA1 ASP 28 HA -0.10 0.13 0.63 -0.75 4.63 4.54 1rvyA1 ASP 28 HB2 -0.06 0.08 0.07 -0.04 2.71 2.76 1rvyA1 ASP 28 HB3 -0.06 0.00 -0.01 -0.04 2.70 2.59 1rvyA1 SER 29 H -0.05 0.63 0.02 -0.55 8.46 8.52 1rvyA1 SER 29 HA -0.04 0.00 0.35 -0.75 4.49 4.04 1rvyA1 SER 29 HB2 -0.04 0.07 0.00 -0.04 3.95 3.94 1rvyA1 SER 29 HB3 -0.02 -0.04 0.02 -0.04 3.93 3.85 1rvyA1 ASP 30 H -0.02 0.60 -0.35 -0.55 8.40 8.08 1rvyA1 ASP 30 HA -0.00 0.09 0.73 -0.75 4.63 4.70 1rvyA1 ASP 30 HB2 0.00 0.13 -0.22 -0.04 2.71 2.58 1rvyA1 ASP 30 HB3 0.03 0.00 0.12 -0.04 2.70 2.81 1rvyA1 ALA 31 H -0.00 0.25 0.04 -0.55 8.40 8.14 1rvyA1 ALA 31 HA 0.06 0.17 0.49 -0.75 4.34 4.30 1rvyA1 ALA 31 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 1rvyA1 GLU 32 H 0.03 0.12 -0.09 -0.55 8.60 8.11 1rvyA1 GLU 32 HA 0.03 0.11 0.40 -0.75 4.29 4.08 1rvyA1 GLU 32 HB2 0.01 0.01 0.11 -0.04 2.09 2.19 1rvyA1 GLU 32 HB3 0.01 0.00 0.03 -0.04 1.99 1.99 1rvyA1 GLU 32 HG2 0.01 0.01 -0.07 -0.04 2.34 2.25 1rvyA1 GLU 32 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 1rvyA1 VAL 33 H 0.04 0.12 -0.24 -0.55 8.24 7.61 1rvyA1 VAL 33 HA 0.00 0.08 0.46 -0.75 4.13 3.93 1rvyA1 VAL 33 HB 0.04 0.09 0.10 -0.04 2.12 2.31 1rvyA1 VAL 33 HG13 -0.01 0.01 -0.13 -0.04 0.97 0.80 1rvyA1 VAL 33 HG23 0.00 0.00 0.01 -0.04 0.95 0.92 1rvyA1 TYR 34 H 0.16 0.47 -0.09 -0.55 8.29 8.27 1rvyA1 TYR 34 HA -0.01 -0.01 0.34 -0.75 4.56 4.12 1rvyA1 TYR 34 HB2 0.01 0.10 -0.02 -0.04 3.06 3.11 1rvyA1 TYR 34 HB3 0.00 0.07 0.17 -0.04 2.98 3.18 1rvyA1 TYR 34 HD2 0.03 -0.03 -0.15 -0.04 7.15 6.96 1rvyA1 TYR 34 HE2 0.06 -0.01 -0.02 -0.04 6.85 6.84 1rvyA1 ASP 35 H 0.14 0.72 -0.19 -0.55 8.40 8.53 1rvyA1 ASP 35 HA 0.05 0.02 0.40 -0.75 4.63 4.34 1rvyA1 ASP 35 HB2 0.09 0.07 0.13 -0.04 2.71 2.96 1rvyA1 ASP 35 HB3 0.04 0.08 0.11 -0.04 2.70 2.90 1rvyA1 ILE 36 H -0.01 0.38 -0.29 -0.55 8.25 7.77 1rvyA1 ILE 36 HA -0.03 0.00 0.45 -0.75 4.18 3.84 1rvyA1 ILE 36 HB -0.04 0.18 0.28 -0.04 1.89 2.27 1rvyA1 ILE 36 HG12 -0.02 -0.05 0.05 -0.04 1.49 1.44 1rvyA1 ILE 36 HG13 -0.01 0.15 0.12 -0.04 1.21 1.43 1rvyA1 ILE 36 HG23 -0.05 -0.02 -0.13 -0.04 0.93 0.69 1rvyA1 ILE 36 HD13 -0.01 -0.03 -0.00 -0.04 0.88 0.79 1rvyA1 ILE 37 H -0.12 0.58 0.01 -0.55 8.25 8.16 1rvyA1 ILE 37 HA -0.19 -0.03 0.36 -0.75 4.18 3.57 1rvyA1 ILE 37 HB -0.32 0.16 0.15 -0.04 1.89 1.84 1rvyA1 ILE 37 HG12 -0.21 -0.04 0.04 -0.04 1.49 1.23 1rvyA1 ILE 37 HG13 -0.13 0.13 0.05 -0.04 1.21 1.21 1rvyA1 ILE 37 HG23 -0.62 -0.02 -0.07 -0.04 0.93 0.17 1rvyA1 ILE 37 HD13 -0.16 -0.02 -0.05 -0.04 0.88 0.61 1rvyA1 LYS 38 H -0.23 0.54 -0.31 -0.55 8.42 7.86 1rvyA1 LYS 38 HA -0.08 -0.14 0.44 -0.75 4.32 3.77 1rvyA1 LYS 38 HB2 -0.22 0.17 0.19 -0.04 1.87 1.97 1rvyA1 LYS 38 HB3 -0.06 0.03 0.14 -0.04 1.79 1.86 1rvyA1 LYS 38 HG2 -0.02 -0.07 -0.02 -0.04 1.46 1.31 1rvyA1 LYS 38 HG3 -0.10 0.27 0.02 -0.04 1.46 1.62 1rvyA1 LYS 38 HD2 0.06 -0.01 -0.02 -0.04 1.69 1.68 1rvyA1 LYS 38 HD3 0.04 -0.04 0.00 -0.04 1.68 1.65 1rvyA1 LYS 38 HE2 0.07 -0.04 -0.03 -0.04 2.99 2.94 1rvyA1 LYS 38 HE3 0.16 0.14 -0.04 -0.04 2.99 3.21 1rvyA1 LYS 39 H -0.05 0.64 0.09 -0.55 8.42 8.54 1rvyA1 LYS 39 HA -0.02 -0.01 0.37 -0.75 4.32 3.91 1rvyA1 LYS 39 HB2 -0.03 0.10 0.20 -0.04 1.87 2.10 1rvyA1 LYS 39 HB3 -0.01 -0.05 0.03 -0.04 1.79 1.72 1rvyA1 LYS 39 HG2 -0.01 -0.04 0.07 -0.04 1.46 1.44 1rvyA1 LYS 39 HG3 -0.01 0.13 0.12 -0.04 1.46 1.65 1rvyA1 LYS 39 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 1rvyA1 LYS 39 HD3 -0.00 -0.03 -0.00 -0.04 1.68 1.61 1rvyA1 LYS 39 HE2 -0.00 0.00 -0.15 -0.04 2.99 2.79 1rvyA1 LYS 39 HE3 -0.01 0.02 -0.00 -0.04 2.99 2.95 1rvyA1 GLU 40 H -0.06 0.58 -0.32 -0.55 8.60 8.25 1rvyA1 GLU 40 HA -0.02 0.01 0.51 -0.75 4.29 4.03 1rvyA1 GLU 40 HB2 -0.05 -0.04 0.05 -0.04 2.09 2.01 1rvyA1 GLU 40 HB3 -0.09 0.13 0.16 -0.04 1.99 2.16 1rvyA1 GLU 40 HG2 -0.05 -0.05 -0.03 -0.04 2.34 2.17 1rvyA1 GLU 40 HG3 -0.03 0.05 -0.26 -0.04 2.34 2.05 1rvyA1 SER 41 H -0.06 0.69 0.10 -0.55 8.46 8.65 1rvyA1 SER 41 HA 0.02 -0.00 0.41 -0.75 4.49 4.16 1rvyA1 SER 41 HB2 0.05 -0.01 0.20 -0.04 3.95 4.15 1rvyA1 SER 41 HB3 0.04 0.07 0.24 -0.04 3.93 4.24 1rvyA1 ASN 42 H -0.01 0.54 -0.23 -0.55 8.53 8.29 1rvyA1 ASN 42 HA -0.00 0.07 0.49 -0.75 4.76 4.57 1rvyA1 ASN 42 HB2 -0.00 -0.04 0.05 -0.04 2.88 2.84 1rvyA1 ASN 42 HB3 -0.00 0.09 0.07 -0.04 2.79 2.91 1rvyA1 ASN 42 HD21 -0.00 -0.01 -0.06 -0.04 7.03 6.92 1rvyA1 ASN 42 HD22 -0.00 0.04 -0.14 -0.04 7.74 7.59 1rvyA1 ARG 43 H 0.00 0.43 -0.13 -0.55 8.46 8.20 1rvyA1 ARG 43 HA 0.01 0.02 0.47 -0.75 4.34 4.08 1rvyA1 ARG 43 HB2 0.00 0.03 0.16 -0.04 1.90 2.06 1rvyA1 ARG 43 HB3 0.01 0.06 0.23 -0.04 1.80 2.05 1rvyA1 ARG 43 HG2 0.02 0.00 -0.21 -0.04 1.67 1.45 1rvyA1 ARG 43 HG3 0.01 -0.01 0.01 -0.04 1.67 1.64 1rvyA1 ARG 43 HD2 0.01 -0.04 -0.05 -0.04 3.22 3.11 1rvyA1 ARG 43 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.15 1rvyA1 GLN 44 H 0.03 0.61 -0.05 -0.55 8.47 8.52 1rvyA1 GLN 44 HA 0.10 -0.08 0.30 -0.75 4.36 3.92 1rvyA1 GLN 44 HB2 0.05 0.16 0.13 -0.04 2.15 2.45 1rvyA1 GLN 44 HB3 0.11 0.02 -0.04 -0.04 2.02 2.07 1rvyA1 GLN 44 HG2 0.22 -0.08 0.02 -0.04 2.40 2.52 1rvyA1 GLN 44 HG3 0.08 -0.03 0.02 -0.04 2.39 2.42 1rvyA1 GLN 44 HE21 0.05 -0.06 -0.03 -0.04 6.97 6.88 1rvyA1 GLN 44 HE22 0.05 -0.04 -0.05 -0.04 7.69 7.61 1rvyA1 ARG 45 H 0.00 0.14 -0.67 -0.55 8.46 7.38 1rvyA1 ARG 45 HA -0.06 0.09 0.47 -0.75 4.34 4.09 1rvyA1 ARG 45 HB2 -0.03 0.03 0.15 -0.04 1.90 2.01 1rvyA1 ARG 45 HB3 -0.01 0.02 0.20 -0.04 1.80 1.96 1rvyA1 ARG 45 HG2 -0.02 0.07 -0.16 -0.04 1.67 1.52 1rvyA1 ARG 45 HG3 -0.05 0.01 0.01 -0.04 1.67 1.60 1rvyA1 ARG 45 HD2 -0.03 -0.00 0.01 -0.04 3.22 3.16 1rvyA1 ARG 45 HD3 -0.02 -0.07 0.02 -0.04 3.22 3.10 1rvyA1 VAL 46 H 0.00 0.35 0.09 -0.55 8.24 8.13 1rvyA1 VAL 46 HA 0.00 0.12 0.42 -0.75 4.13 3.93 1rvyA1 VAL 46 HB -0.00 -0.07 0.18 -0.04 2.12 2.20 1rvyA1 VAL 46 HG13 -0.00 -0.01 0.07 -0.04 0.97 0.99 1rvyA1 VAL 46 HG23 0.00 0.03 0.02 -0.04 0.95 0.96 1rvyA1 GLY 47 H 0.02 0.27 -0.47 -0.55 8.43 7.70 1rvyA1 GLY 47 HA2 0.01 0.16 0.78 -0.51 4.01 4.45 1rvyA1 GLY 47 HA3 0.03 -0.10 0.26 -0.51 4.01 3.69 1rvyA1 LEU 48 H 0.03 0.67 0.31 -0.55 8.37 8.84 1rvyA1 LEU 48 HA 0.03 0.22 0.89 -0.75 4.35 4.74 1rvyA1 LEU 48 HB2 0.04 0.00 0.26 -0.04 1.64 1.90 1rvyA1 LEU 48 HB3 0.05 -0.09 0.01 -0.04 1.64 1.57 1rvyA1 LEU 48 HG 0.05 0.16 -0.14 -0.04 1.64 1.67 1rvyA1 LEU 48 HD13 0.16 -0.03 -0.01 -0.04 0.93 1.02 1rvyA1 LEU 48 HD23 0.03 0.01 -0.02 -0.04 0.89 0.86 1rvyA1 GLU 49 H 0.09 0.32 0.03 -0.55 8.60 8.50 1rvyA1 GLU 49 HA 0.05 -0.01 0.64 -0.75 4.29 4.22 1rvyA1 GLU 49 HB2 0.16 0.15 0.08 -0.04 2.09 2.44 1rvyA1 GLU 49 HB3 0.00 -0.11 -0.05 -0.04 1.99 1.79 1rvyA1 GLU 49 HG2 0.11 0.14 -0.08 -0.04 2.34 2.48 1rvyA1 GLU 49 HG3 -0.02 0.00 -0.04 -0.04 2.34 2.24 1rvyA1 LEU 50 H 0.05 0.44 0.33 -0.55 8.37 8.65 1rvyA1 LEU 50 HA 0.09 0.29 0.92 -0.75 4.35 4.89 1rvyA1 LEU 50 HB2 0.06 0.36 0.15 -0.04 1.64 2.17 1rvyA1 LEU 50 HB3 0.07 -0.19 0.27 -0.04 1.64 1.74 1rvyA1 LEU 50 HG 0.10 0.02 -0.40 -0.04 1.64 1.31 1rvyA1 LEU 50 HD13 0.09 0.00 -0.12 -0.04 0.93 0.86 1rvyA1 LEU 50 HD23 0.20 0.05 0.01 -0.04 0.89 1.11 1rvyA1 ILE 51 H 0.03 0.07 -0.06 -0.55 8.25 7.74 1rvyA1 ILE 51 HA 0.04 0.08 0.61 -0.75 4.18 4.16 1rvyA1 ILE 51 HB 0.02 0.01 0.07 -0.04 1.89 1.95 1rvyA1 ILE 51 HG12 0.03 -0.04 -0.19 -0.04 1.49 1.25 1rvyA1 ILE 51 HG13 0.03 0.02 -0.35 -0.04 1.21 0.87 1rvyA1 ILE 51 HG23 0.04 -0.06 -0.14 -0.04 0.93 0.73 1rvyA1 ILE 51 HD13 0.02 0.03 -0.08 -0.04 0.88 0.81 1rvyA1 ALA 52 H 0.07 0.20 0.12 -0.55 8.40 8.24 1rvyA1 ALA 52 HA 0.14 0.05 0.25 -0.75 4.34 4.03 1rvyA1 ALA 52 HB3 0.17 0.01 -0.03 -0.04 1.41 1.52 1rvyA1 SER 53 H 0.12 0.02 -0.36 -0.55 8.46 7.70 1rvyA1 SER 53 HA -0.13 0.14 0.63 -0.75 4.49 4.37 1rvyA1 SER 53 HB2 -0.01 -0.04 0.08 -0.04 3.95 3.93 1rvyA1 SER 53 HB3 0.03 -0.01 0.02 -0.04 3.93 3.93 1rvyA1 GLU 54 H 0.01 0.58 -0.25 -0.55 8.60 8.38 1rvyA1 GLU 54 HA -0.06 0.06 0.65 -0.75 4.29 4.19 1rvyA1 GLU 54 HB2 -0.07 0.10 0.01 -0.04 2.09 2.09 1rvyA1 GLU 54 HB3 -0.19 0.08 0.03 -0.04 1.99 1.86 1rvyA1 GLU 54 HG2 -0.01 -0.16 -0.09 -0.04 2.34 2.04 1rvyA1 GLU 54 HG3 -0.02 -0.03 -0.01 -0.04 2.34 2.23 1rvyA1 ASN 55 H -0.24 0.30 0.22 -0.55 8.53 8.27 1rvyA1 ASN 55 HA -0.34 0.06 0.28 -0.75 4.76 4.01 1rvyA1 ASN 55 HB2 -0.04 0.06 -0.35 -0.04 2.88 2.50 1rvyA1 ASN 55 HB3 -0.03 -0.06 -0.10 -0.04 2.79 2.55 1rvyA1 ASN 55 HD21 0.22 0.02 -0.08 -0.04 7.03 7.15 1rvyA1 ASN 55 HD22 0.06 0.14 -0.12 -0.04 7.74 7.79 1rvyA1 PHE 56 H 0.00 0.28 0.06 -0.55 8.34 8.13 1rvyA1 PHE 56 HA 0.02 0.11 0.88 -0.75 4.62 4.88 1rvyA1 PHE 56 HB2 -0.00 0.01 0.04 -0.04 3.15 3.17 1rvyA1 PHE 56 HB3 0.01 0.10 -0.12 -0.04 3.06 3.02 1rvyA1 PHE 56 HD2 0.02 0.01 -0.04 -0.04 7.28 7.22 1rvyA1 PHE 56 HE2 0.01 0.00 -0.13 -0.04 7.38 7.22 1rvyA1 PHE 56 HZ 0.01 0.05 -0.06 -0.04 7.32 7.28 1rvyA1 ALA 57 H 0.13 0.10 0.02 -0.55 8.40 8.10 1rvyA1 ALA 57 HA 0.07 0.23 0.47 -0.75 4.34 4.36 1rvyA1 ALA 57 HB3 0.06 -0.01 -0.09 -0.04 1.41 1.33 1rvyA1 SER 58 H 0.05 0.19 0.19 -0.55 8.46 8.34 1rvyA1 SER 58 HA 0.03 0.16 0.41 -0.75 4.49 4.34 1rvyA1 SER 58 HB2 0.01 -0.02 0.20 -0.04 3.95 4.10 1rvyA1 SER 58 HB3 0.02 0.20 0.18 -0.04 3.93 4.29 1rvyA1 ARG 59 H 0.01 0.22 0.17 -0.55 8.46 8.31 1rvyA1 ARG 59 HA 0.03 0.10 0.32 -0.75 4.34 4.03 1rvyA1 ARG 59 HB2 -0.01 0.30 -0.02 -0.04 1.90 2.12 1rvyA1 ARG 59 HB3 -0.00 -0.03 0.11 -0.04 1.80 1.83 1rvyA1 ARG 59 HG2 -0.01 -0.04 -0.27 -0.04 1.67 1.32 1rvyA1 ARG 59 HG3 -0.01 -0.04 -0.02 -0.04 1.67 1.55 1rvyA1 ARG 59 HD2 -0.04 0.11 0.09 -0.04 3.22 3.34 1rvyA1 ARG 59 HD3 -0.02 0.01 0.01 -0.04 3.22 3.18 1rvyA1 ALA 60 H 0.01 0.10 -0.10 -0.55 8.40 7.86 1rvyA1 ALA 60 HA 0.01 0.10 0.37 -0.75 4.34 4.06 1rvyA1 ALA 60 HB3 0.00 0.03 0.04 -0.04 1.41 1.44 1rvyA1 VAL 61 H 0.02 0.09 -0.26 -0.55 8.24 7.54 1rvyA1 VAL 61 HA 0.02 0.05 0.40 -0.75 4.13 3.85 1rvyA1 VAL 61 HB 0.03 0.10 0.02 -0.04 2.12 2.23 1rvyA1 VAL 61 HG13 0.03 -0.01 -0.17 -0.04 0.97 0.78 1rvyA1 VAL 61 HG23 0.02 0.05 0.06 -0.04 0.95 1.04 1rvyA1 LEU 62 H 0.04 0.47 -0.28 -0.55 8.37 8.06 1rvyA1 LEU 62 HA 0.05 -0.02 0.34 -0.75 4.35 3.97 1rvyA1 LEU 62 HB2 0.07 0.09 0.08 -0.04 1.64 1.83 1rvyA1 LEU 62 HB3 0.10 -0.03 -0.04 -0.04 1.64 1.63 1rvyA1 LEU 62 HG 0.08 0.17 -0.09 -0.04 1.64 1.76 1rvyA1 LEU 62 HD13 0.16 -0.02 -0.01 -0.04 0.93 1.02 1rvyA1 LEU 62 HD23 0.06 -0.03 -0.03 -0.04 0.89 0.86 1rvyA1 GLU 63 H 0.03 0.53 -0.27 -0.55 8.60 8.34 1rvyA1 GLU 63 HA 0.04 0.02 0.40 -0.75 4.29 3.99 1rvyA1 GLU 63 HB2 0.02 0.10 0.11 -0.04 2.09 2.28 1rvyA1 GLU 63 HB3 0.01 -0.07 0.02 -0.04 1.99 1.92 1rvyA1 GLU 63 HG2 0.01 -0.06 0.01 -0.04 2.34 2.26 1rvyA1 GLU 63 HG3 0.01 0.36 0.01 -0.04 2.34 2.67 1rvyA1 ALA 64 H 0.03 0.46 -0.22 -0.55 8.40 8.12 1rvyA1 ALA 64 HA 0.03 -0.02 0.41 -0.75 4.34 4.00 1rvyA1 ALA 64 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 1rvyA1 LEU 65 H 0.05 0.36 -0.16 -0.55 8.37 8.08 1rvyA1 LEU 65 HA 0.16 -0.06 0.25 -0.75 4.35 3.95 1rvyA1 LEU 65 HB2 0.07 0.18 0.05 -0.04 1.64 1.90 1rvyA1 LEU 65 HB3 0.13 -0.05 0.02 -0.04 1.64 1.70 1rvyA1 LEU 65 HG 0.04 0.13 0.04 -0.04 1.64 1.81 1rvyA1 LEU 65 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.90 1rvyA1 LEU 65 HD23 0.01 0.00 -0.13 -0.04 0.89 0.73 1rvyA1 GLY 66 H 0.05 0.32 -0.56 -0.55 8.43 7.69 1rvyA1 GLY 66 HA2 0.01 0.07 0.58 -0.51 4.01 4.16 1rvyA1 GLY 66 HA3 0.03 -0.01 0.30 -0.51 4.01 3.82 1rvyA1 SER 67 H 0.03 0.48 -0.18 -0.55 8.46 8.25 1rvyA1 SER 67 HA 0.00 0.08 0.39 -0.75 4.49 4.21 1rvyA1 SER 67 HB2 0.01 -0.18 0.19 -0.04 3.95 3.94 1rvyA1 SER 67 HB3 0.02 0.09 0.19 -0.04 3.93 4.18 1rvyA1 CYS 68 H -0.00 0.16 0.18 -0.55 8.50 8.29 1rvyA1 CYS 68 HA -0.03 0.20 0.56 -0.75 4.58 4.56 1rvyA1 CYS 68 HB2 0.00 -0.01 0.18 -0.04 2.97 3.10 1rvyA1 CYS 68 HB3 -0.00 0.09 0.15 -0.04 2.97 3.16 1rvyA1 LEU 69 H 0.01 0.09 -0.61 -0.55 8.37 7.31 1rvyA1 LEU 69 HA 0.02 0.04 0.35 -0.75 4.35 4.01 1rvyA1 LEU 69 HB2 0.08 0.09 -0.14 -0.04 1.64 1.63 1rvyA1 LEU 69 HB3 0.07 -0.06 -0.19 -0.04 1.64 1.42 1rvyA1 LEU 69 HG 0.03 -0.08 -0.02 -0.04 1.64 1.53 1rvyA1 LEU 69 HD13 0.04 0.05 -0.05 -0.04 0.93 0.93 1rvyA1 LEU 69 HD23 0.04 0.00 -0.07 -0.04 0.89 0.82 1rvyA1 ASN 70 H -0.10 0.31 -0.60 -0.55 8.53 7.59 1rvyA1 ASN 70 HA -0.30 -0.05 0.45 -0.75 4.76 4.11 1rvyA1 ASN 70 HB2 -0.19 0.07 0.06 -0.04 2.88 2.78 1rvyA1 ASN 70 HB3 -0.28 0.00 -0.04 -0.04 2.79 2.43 1rvyA1 ASN 70 HD21 -0.28 0.41 0.13 -0.04 7.03 7.26 1rvyA1 ASN 70 HD22 -0.19 0.42 0.01 -0.04 7.74 7.94 1rvyA1 ASN 71 H -0.06 0.33 -0.19 -0.55 8.53 8.07 1rvyA1 ASN 71 HA -0.04 0.09 0.43 -0.75 4.76 4.48 1rvyA1 ASN 71 HB2 -0.00 0.05 0.15 -0.04 2.88 3.04 1rvyA1 ASN 71 HB3 0.01 -0.04 0.03 -0.04 2.79 2.75 1rvyA1 ASN 71 HD21 -0.02 0.02 0.06 -0.04 7.03 7.05 1rvyA1 ASN 71 HD22 -0.00 -0.03 0.08 -0.04 7.74 7.76 1rvyA1 LYS 72 H 0.00 0.09 -0.12 -0.55 8.42 7.84 1rvyA1 LYS 72 HA 0.07 0.03 0.49 -0.75 4.32 4.16 1rvyA1 LYS 72 HB2 0.04 -0.04 0.07 -0.04 1.87 1.90 1rvyA1 LYS 72 HB3 0.02 -0.02 0.05 -0.04 1.79 1.80 1rvyA1 LYS 72 HG2 0.04 -0.13 -0.07 -0.04 1.46 1.27 1rvyA1 LYS 72 HG3 0.05 0.05 -0.50 -0.04 1.46 1.02 1rvyA1 LYS 72 HD2 0.12 -0.14 0.14 -0.04 1.69 1.78 1rvyA1 LYS 72 HD3 0.06 -0.06 0.03 -0.04 1.68 1.68 1rvyA1 LYS 72 HE2 0.06 0.02 -0.22 -0.04 2.99 2.80 1rvyA1 LYS 72 HE3 0.12 0.16 -0.05 -0.04 2.99 3.17 1rvyA1 TYR 73 H 0.22 0.15 0.23 -0.55 8.29 8.34 1rvyA1 TYR 73 HA 0.00 0.13 0.68 -0.75 4.56 4.62 1rvyA1 TYR 73 HB2 0.13 0.05 0.20 -0.04 3.06 3.40 1rvyA1 TYR 73 HB3 0.20 -0.05 0.04 -0.04 2.98 3.12 1rvyA1 TYR 73 HD2 -0.03 -0.05 0.06 -0.04 7.15 7.10 1rvyA1 TYR 73 HE2 -0.00 -0.06 0.08 -0.04 6.85 6.83 1rvyA1 SER 74 H -0.09 0.18 0.09 -0.55 8.46 8.10 1rvyA1 SER 74 HA -0.03 0.15 0.69 -0.75 4.49 4.55 1rvyA1 SER 74 HB2 -0.05 -0.04 0.02 -0.04 3.95 3.84 1rvyA1 SER 74 HB3 -0.01 -0.00 -0.30 -0.04 3.93 3.58 1rvyA1 GLN 75 H -0.20 0.04 0.03 -0.55 8.47 7.79 1rvyA1 GLN 75 HA -0.80 0.14 0.36 -0.75 4.36 3.30 1rvyA1 GLN 75 HB2 -0.87 -0.04 0.01 -0.04 2.15 1.21 1rvyA1 GLN 75 HB3 -1.42 0.13 -0.03 -0.04 2.02 0.66 1rvyA1 GLN 75 HG2 -0.15 0.06 -0.03 -0.04 2.40 2.24 1rvyA1 GLN 75 HG3 -0.06 -0.09 0.02 -0.04 2.39 2.22 1rvyA1 GLN 75 HE21 -0.56 0.02 -0.00 -0.04 6.97 6.38 1rvyA1 GLN 75 HE22 -0.21 0.05 0.01 -0.04 7.69 7.50 1rvyA1 GLY 76 H -1.23 0.18 0.21 -0.55 8.43 7.05 1rvyA1 GLY 76 HA2 -0.06 0.04 0.30 -0.51 4.01 3.79 1rvyA1 GLY 76 HA3 -0.10 0.24 1.03 -0.51 4.01 4.66 1rvyA1 TYR 77 H 0.14 0.49 -0.06 -0.55 8.29 8.30 1rvyA1 TYR 77 HA -0.01 0.18 0.71 -0.75 4.56 4.69 1rvyA1 TYR 77 HB2 0.05 0.00 -0.09 -0.04 3.06 2.98 1rvyA1 TYR 77 HB3 0.03 0.04 0.02 -0.04 2.98 3.03 1rvyA1 TYR 77 HD2 0.06 -0.03 -0.08 -0.04 7.15 7.07 1rvyA1 TYR 77 HE2 0.07 0.07 -0.01 -0.04 6.85 6.94 1rvyA1 PRO 78 HA 0.06 -0.06 0.40 -0.51 4.44 4.33 1rvyA1 PRO 78 HB2 0.08 0.06 0.13 -0.04 2.28 2.51 1rvyA1 PRO 78 HB3 0.06 0.03 0.08 -0.04 2.02 2.14 1rvyA1 PRO 78 HG2 0.08 0.04 0.05 -0.04 2.03 2.16 1rvyA1 PRO 78 HG3 0.06 0.01 0.06 -0.04 2.03 2.11 1rvyA1 PRO 78 HD2 0.21 0.14 0.15 -0.04 3.68 4.14 1rvyA1 PRO 78 HD3 0.14 0.17 0.16 -0.04 3.65 4.07 1rvyA1 GLY 79 H 0.06 0.07 0.19 -0.55 8.43 8.21 1rvyA1 GLY 79 HA2 0.05 -0.03 0.36 -0.51 4.01 3.88 1rvyA1 GLY 79 HA3 0.06 0.19 0.69 -0.51 4.01 4.43 1rvyA1 GLN 80 H 0.11 0.87 -0.20 -0.55 8.47 8.70 1rvyA1 GLN 80 HA 0.11 0.17 0.70 -0.75 4.36 4.58 1rvyA1 GLN 80 HB2 0.22 -0.08 0.01 -0.04 2.15 2.26 1rvyA1 GLN 80 HB3 0.19 -0.00 0.14 -0.04 2.02 2.31 1rvyA1 GLN 80 HG2 0.09 0.08 -0.07 -0.04 2.40 2.46 1rvyA1 GLN 80 HG3 0.09 -0.02 -0.54 -0.04 2.39 1.88 1rvyA1 GLN 80 HE21 0.05 -0.02 -0.04 -0.04 6.97 6.93 1rvyA1 GLN 80 HE22 0.06 0.02 -0.03 -0.04 7.69 7.70 1rvyA1 ARG 81 H 0.09 0.04 -0.02 -0.55 8.46 8.02 1rvyA1 ARG 81 HA 0.07 0.24 0.80 -0.75 4.34 4.69 1rvyA1 ARG 81 HB2 0.07 0.06 0.00 -0.04 1.90 2.00 1rvyA1 ARG 81 HB3 0.03 -0.02 0.01 -0.04 1.80 1.78 1rvyA1 ARG 81 HG2 0.05 -0.13 -0.10 -0.04 1.67 1.45 1rvyA1 ARG 81 HG3 0.03 -0.10 -0.09 -0.04 1.67 1.47 1rvyA1 ARG 81 HD2 -0.05 0.08 -0.24 -0.04 3.22 2.96 1rvyA1 ARG 81 HD3 -0.04 0.03 -0.55 -0.04 3.22 2.62 1rvyA1 TYR 82 H 0.12 0.48 0.19 -0.55 8.29 8.54 1rvyA1 TYR 82 HA 0.03 0.10 0.48 -0.75 4.56 4.41 1rvyA1 TYR 82 HB2 -0.44 -0.04 0.13 -0.04 3.06 2.67 1rvyA1 TYR 82 HB3 -0.22 -0.03 -0.01 -0.04 2.98 2.68 1rvyA1 TYR 82 HD2 0.02 -0.03 -0.12 -0.04 7.15 6.99 1rvyA1 TYR 82 HE2 0.16 0.02 -0.05 -0.04 6.85 6.94 1rvyA1 TYR 83 H 0.04 0.05 -0.02 -0.55 8.29 7.81 1rvyA1 TYR 83 HA 0.06 0.17 0.80 -0.75 4.56 4.84 1rvyA1 TYR 83 HB2 0.06 0.07 0.04 -0.04 3.06 3.18 1rvyA1 TYR 83 HB3 0.04 0.00 0.10 -0.04 2.98 3.09 1rvyA1 TYR 83 HD2 0.08 0.14 -0.30 -0.04 7.15 7.02 1rvyA1 TYR 83 HE2 -0.08 0.02 -0.04 -0.04 6.85 6.71 1rvyA1 GLY 84 H 0.13 0.11 0.10 -0.55 8.43 8.22 1rvyA1 GLY 84 HA2 0.07 0.15 0.67 -0.51 4.01 4.39 1rvyA1 GLY 84 HA3 0.05 0.03 0.35 -0.51 4.01 3.94 1rvyA1 GLY 85 H 0.01 0.15 0.15 -0.55 8.43 8.20 1rvyA1 GLY 85 HA2 -0.03 0.00 0.37 -0.51 4.01 3.85 1rvyA1 GLY 85 HA3 0.01 0.16 0.46 -0.51 4.01 4.13 1rvyA1 THR 86 H 0.01 0.11 -0.31 -0.55 8.28 7.55 1rvyA1 THR 86 HA 0.00 0.21 0.71 -0.75 4.39 4.56 1rvyA1 THR 86 HB 0.01 -0.08 0.06 -0.04 4.32 4.27 1rvyA1 THR 86 HG23 0.05 0.07 -0.19 -0.04 1.22 1.11 1rvyA1 GLU 87 H -0.11 0.09 -0.37 -0.55 8.60 7.68 1rvyA1 GLU 87 HA -0.05 0.09 0.29 -0.75 4.29 3.87 1rvyA1 GLU 87 HB2 -0.14 0.01 0.08 -0.04 2.09 1.99 1rvyA1 GLU 87 HB3 -0.50 0.00 0.03 -0.04 1.99 1.48 1rvyA1 GLU 87 HG2 -0.06 0.01 -0.28 -0.04 2.34 1.97 1rvyA1 GLU 87 HG3 -0.03 0.02 0.02 -0.04 2.34 2.31 1rvyA1 HIS 88 H -0.28 0.14 -0.26 -0.55 8.41 7.46 1rvyA1 HIS 88 HA 0.02 0.15 0.68 -0.75 4.63 4.72 1rvyA1 HIS 88 HB2 0.02 0.03 0.04 -0.04 3.26 3.30 1rvyA1 HIS 88 HB3 0.01 0.04 0.01 -0.04 3.20 3.22 1rvyA1 HIS 88 HD2 0.02 0.05 -0.01 -0.04 6.97 6.98 1rvyA1 HIS 88 HE1 0.01 0.04 -0.06 -0.04 7.75 7.71 1rvyA1 ILE 89 H 0.06 0.12 -0.09 -0.55 8.25 7.80 1rvyA1 ILE 89 HA 0.05 0.04 0.36 -0.75 4.18 3.88 1rvyA1 ILE 89 HB 0.02 0.07 0.05 -0.04 1.89 1.99 1rvyA1 ILE 89 HG12 0.04 -0.07 0.07 -0.04 1.49 1.48 1rvyA1 ILE 89 HG13 0.02 0.10 -0.07 -0.04 1.21 1.23 1rvyA1 ILE 89 HG23 0.00 0.01 -0.07 -0.04 0.93 0.82 1rvyA1 ILE 89 HD13 0.04 -0.00 -0.01 -0.04 0.88 0.87 1rvyA1 ASP 90 H 0.03 0.57 -0.42 -0.55 8.40 8.03 1rvyA1 ASP 90 HA 0.04 0.00 0.36 -0.75 4.63 4.27 1rvyA1 ASP 90 HB2 0.03 0.19 0.03 -0.04 2.71 2.93 1rvyA1 ASP 90 HB3 0.04 -0.03 -0.02 -0.04 2.70 2.64 1rvyA1 GLU 91 H 0.07 0.27 -0.12 -0.55 8.60 8.27 1rvyA1 GLU 91 HA 0.05 0.02 0.41 -0.75 4.29 4.01 1rvyA1 GLU 91 HB2 0.09 0.09 0.21 -0.04 2.09 2.43 1rvyA1 GLU 91 HB3 0.05 -0.03 0.05 -0.04 1.99 2.02 1rvyA1 GLU 91 HG2 0.07 -0.02 0.07 -0.04 2.34 2.42 1rvyA1 GLU 91 HG3 0.10 0.23 0.20 -0.04 2.34 2.84 1rvyA1 LEU 92 H 0.05 0.55 -0.27 -0.55 8.37 8.15 1rvyA1 LEU 92 HA 0.02 0.01 0.35 -0.75 4.35 3.98 1rvyA1 LEU 92 HB2 0.04 -0.02 0.05 -0.04 1.64 1.67 1rvyA1 LEU 92 HB3 0.03 0.11 0.20 -0.04 1.64 1.94 1rvyA1 LEU 92 HG 0.02 0.02 -0.30 -0.04 1.64 1.33 1rvyA1 LEU 92 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.86 1rvyA1 LEU 92 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.82 1rvyA1 GLU 93 H 0.03 0.74 0.13 -0.55 8.60 8.96 1rvyA1 GLU 93 HA 0.02 -0.00 0.34 -0.75 4.29 3.89 1rvyA1 GLU 93 HB2 0.02 0.02 0.11 -0.04 2.09 2.19 1rvyA1 GLU 93 HB3 0.04 0.01 0.14 -0.04 1.99 2.13 1rvyA1 GLU 93 HG2 0.07 0.02 -0.10 -0.04 2.34 2.29 1rvyA1 GLU 93 HG3 0.04 -0.05 0.02 -0.04 2.34 2.31 1rvyA1 THR 94 H 0.04 0.53 -0.21 -0.55 8.28 8.09 1rvyA1 THR 94 HA 0.04 -0.01 0.39 -0.75 4.39 4.05 1rvyA1 THR 94 HB 0.03 0.14 0.16 -0.04 4.32 4.61 1rvyA1 THR 94 HG23 0.03 -0.02 -0.09 -0.04 1.22 1.10 1rvyA1 LEU 95 H 0.02 0.69 -0.02 -0.55 8.37 8.52 1rvyA1 LEU 95 HA 0.01 -0.04 0.43 -0.75 4.35 4.00 1rvyA1 LEU 95 HB2 0.02 0.03 0.17 -0.04 1.64 1.81 1rvyA1 LEU 95 HB3 0.01 0.10 0.22 -0.04 1.64 1.93 1rvyA1 LEU 95 HG 0.00 -0.02 -0.22 -0.04 1.64 1.36 1rvyA1 LEU 95 HD13 0.00 -0.02 0.03 -0.04 0.93 0.91 1rvyA1 LEU 95 HD23 0.00 -0.02 -0.05 -0.04 0.89 0.79 1rvyA1 CYS 96 H 0.01 0.77 -0.17 -0.55 8.50 8.56 1rvyA1 CYS 96 HA 0.00 -0.04 0.37 -0.75 4.58 4.16 1rvyA1 CYS 96 HB2 0.01 0.03 0.05 -0.04 2.97 3.01 1rvyA1 CYS 96 HB3 0.00 0.12 0.11 -0.04 2.97 3.16 1rvyA1 GLN 97 H 0.02 0.56 -0.09 -0.55 8.47 8.40 1rvyA1 GLN 97 HA 0.00 -0.01 0.45 -0.75 4.36 4.05 1rvyA1 GLN 97 HB2 0.02 0.11 0.18 -0.04 2.15 2.42 1rvyA1 GLN 97 HB3 0.02 -0.06 0.06 -0.04 2.02 1.99 1rvyA1 GLN 97 HG2 0.01 0.03 0.03 -0.04 2.40 2.42 1rvyA1 GLN 97 HG3 0.02 0.14 0.07 -0.04 2.39 2.58 1rvyA1 GLN 97 HE21 0.08 -0.04 0.04 -0.04 6.97 7.01 1rvyA1 GLN 97 HE22 0.07 0.09 0.15 -0.04 7.69 7.96 1rvyA1 LYS 98 H 0.02 0.62 -0.02 -0.55 8.42 8.47 1rvyA1 LYS 98 HA 0.02 0.01 0.41 -0.75 4.32 4.00 1rvyA1 LYS 98 HB2 0.01 0.01 0.13 -0.04 1.87 1.98 1rvyA1 LYS 98 HB3 0.01 0.12 0.16 -0.04 1.79 2.03 1rvyA1 LYS 98 HG2 -0.00 -0.01 -0.09 -0.04 1.46 1.32 1rvyA1 LYS 98 HG3 0.01 -0.02 0.07 -0.04 1.46 1.47 1rvyA1 LYS 98 HD2 0.00 -0.02 -0.00 -0.04 1.69 1.63 1rvyA1 LYS 98 HD3 0.01 -0.02 0.00 -0.04 1.68 1.64 1rvyA1 LYS 98 HE2 0.00 0.04 0.01 -0.04 2.99 3.01 1rvyA1 LYS 98 HE3 -0.00 0.00 -0.04 -0.04 2.99 2.91 1rvyA1 ARG 99 H 0.01 0.56 -0.20 -0.55 8.46 8.27 1rvyA1 ARG 99 HA -0.02 0.03 0.47 -0.75 4.34 4.08 1rvyA1 ARG 99 HB2 -0.00 0.09 0.08 -0.04 1.90 2.03 1rvyA1 ARG 99 HB3 -0.03 -0.03 -0.06 -0.04 1.80 1.64 1rvyA1 ARG 99 HG2 -0.02 -0.03 -0.03 -0.04 1.67 1.55 1rvyA1 ARG 99 HG3 -0.01 0.10 0.02 -0.04 1.67 1.74 1rvyA1 ARG 99 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.08 1rvyA1 ARG 99 HD3 -0.03 0.01 -0.05 -0.04 3.22 3.11 1rvyA1 ALA 100 H 0.04 0.40 -0.25 -0.55 8.40 8.05 1rvyA1 ALA 100 HA 0.17 0.05 0.43 -0.75 4.34 4.24 1rvyA1 ALA 100 HB3 0.11 0.00 0.01 -0.04 1.41 1.48 1rvyA1 LEU 101 H 0.07 0.59 -0.11 -0.55 8.37 8.37 1rvyA1 LEU 101 HA -0.08 0.02 0.37 -0.75 4.35 3.91 1rvyA1 LEU 101 HB2 0.01 0.07 0.06 -0.04 1.64 1.74 1rvyA1 LEU 101 HB3 -0.03 0.03 -0.12 -0.04 1.64 1.48 1rvyA1 LEU 101 HG 0.06 0.13 -0.05 -0.04 1.64 1.74 1rvyA1 LEU 101 HD13 0.04 -0.03 -0.11 -0.04 0.93 0.80 1rvyA1 LEU 101 HD23 0.13 -0.05 -0.38 -0.04 0.89 0.56 1rvyA1 GLN 102 H -0.01 0.47 -0.18 -0.55 8.47 8.20 1rvyA1 GLN 102 HA -0.06 0.02 0.38 -0.75 4.36 3.94 1rvyA1 GLN 102 HB2 -0.03 0.13 0.17 -0.04 2.15 2.38 1rvyA1 GLN 102 HB3 -0.04 0.01 0.19 -0.04 2.02 2.14 1rvyA1 GLN 102 HG2 -0.06 0.04 -0.17 -0.04 2.40 2.17 1rvyA1 GLN 102 HG3 -0.04 -0.05 0.03 -0.04 2.39 2.29 1rvyA1 GLN 102 HE21 -0.03 -0.05 -0.02 -0.04 6.97 6.83 1rvyA1 GLN 102 HE22 -0.03 0.01 -0.02 -0.04 7.69 7.61 1rvyA1 ALA 103 H -0.07 0.66 -0.11 -0.55 8.40 8.33 1rvyA1 ALA 103 HA -0.19 0.03 0.35 -0.75 4.34 3.77 1rvyA1 ALA 103 HB3 -0.23 0.01 0.07 -0.04 1.41 1.22 1rvyA1 TYR 104 H -0.12 0.25 -0.66 -0.55 8.29 7.21 1rvyA1 TYR 104 HA -0.26 0.20 0.78 -0.75 4.56 4.53 1rvyA1 TYR 104 HB2 -0.86 0.08 0.02 -0.04 3.06 2.26 1rvyA1 TYR 104 HB3 -1.04 -0.11 0.08 -0.04 2.98 1.87 1rvyA1 TYR 104 HD2 -0.18 0.20 -0.04 -0.04 7.15 7.08 1rvyA1 TYR 104 HE2 0.09 -0.06 -0.07 -0.04 6.85 6.77 1rvyA1 GLY 105 H -0.16 0.67 -0.29 -0.55 8.43 8.10 1rvyA1 GLY 105 HA2 -0.10 0.02 0.32 -0.51 4.01 3.73 1rvyA1 GLY 105 HA3 -0.11 -0.04 0.36 -0.51 4.01 3.71 1rvyA1 LEU 106 H -0.22 0.66 -0.12 -0.55 8.37 8.14 1rvyA1 LEU 106 HA -0.19 0.11 0.65 -0.75 4.35 4.17 1rvyA1 LEU 106 HB2 -0.27 -0.07 -0.05 -0.04 1.64 1.20 1rvyA1 LEU 106 HB3 -0.38 -0.05 -0.12 -0.04 1.64 1.05 1rvyA1 LEU 106 HG -0.77 0.04 -0.17 -0.04 1.64 0.70 1rvyA1 LEU 106 HD13 -1.84 -0.03 -0.12 -0.04 0.93 -1.10 1rvyA1 LEU 106 HD23 -1.18 0.02 -0.22 -0.04 0.89 -0.53 1rvyA1 ASP 107 H 0.14 0.17 0.11 -0.55 8.40 8.27 1rvyA1 ASP 107 HA 0.03 0.22 0.64 -0.75 4.63 4.77 1rvyA1 ASP 107 HB2 0.06 0.12 0.09 -0.04 2.71 2.94 1rvyA1 ASP 107 HB3 0.11 -0.05 0.19 -0.04 2.70 2.91 1rvyA1 PRO 108 HA 0.07 0.27 0.39 -0.51 4.44 4.67 1rvyA1 PRO 108 HB2 0.03 0.01 0.08 -0.04 2.28 2.36 1rvyA1 PRO 108 HB3 0.03 0.04 0.12 -0.04 2.02 2.17 1rvyA1 PRO 108 HG2 0.03 -0.01 -0.01 -0.04 2.03 2.00 1rvyA1 PRO 108 HG3 0.02 0.04 0.06 -0.04 2.03 2.11 1rvyA1 PRO 108 HD2 0.03 0.05 0.24 -0.04 3.68 3.95 1rvyA1 PRO 108 HD3 0.02 0.28 0.23 -0.04 3.65 4.13 1rvyA1 GLN 109 H 0.05 -0.01 -0.86 -0.55 8.47 7.11 1rvyA1 GLN 109 HA 0.03 0.19 0.82 -0.75 4.36 4.65 1rvyA1 GLN 109 HB2 0.03 -0.02 -0.02 -0.04 2.15 2.11 1rvyA1 GLN 109 HB3 0.02 -0.00 0.07 -0.04 2.02 2.07 1rvyA1 GLN 109 HG2 0.03 0.04 -0.03 -0.04 2.40 2.39 1rvyA1 GLN 109 HG3 0.03 -0.04 -0.13 -0.04 2.39 2.21 1rvyA1 GLN 109 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.93 1rvyA1 GLN 109 HE22 0.02 0.00 -0.03 -0.04 7.69 7.64 1rvyA1 CYS 110 H 0.08 0.77 0.16 -0.55 8.50 8.96 1rvyA1 CYS 110 HA -0.10 0.23 0.84 -0.75 4.58 4.80 1rvyA1 CYS 110 HB2 0.12 -0.01 0.12 -0.04 2.97 3.16 1rvyA1 CYS 110 HB3 -0.18 0.05 0.14 -0.04 2.97 2.94 1rvyA1 TRP 111 H 0.14 0.25 0.06 -0.55 7.97 7.87 1rvyA1 TRP 111 HA -0.10 0.24 0.92 -0.75 4.62 4.93 1rvyA1 TRP 111 HB2 -0.11 -0.07 -0.17 -0.04 3.23 2.83 1rvyA1 TRP 111 HB3 -0.11 0.06 -0.09 -0.04 3.23 3.04 1rvyA1 TRP 111 HD1 -0.09 -0.16 -0.15 -0.04 7.22 6.78 1rvyA1 TRP 111 HE1 -0.03 0.05 -0.05 -0.04 10.20 10.13 1rvyA1 TRP 111 HE3 0.02 0.02 -0.27 -0.04 7.59 7.31 1rvyA1 TRP 111 HZ2 0.07 0.32 0.01 -0.04 7.44 7.80 1rvyA1 TRP 111 HZ3 0.11 -0.07 -0.49 -0.04 7.13 6.64 1rvyA1 TRP 111 HH2 -0.02 -0.02 -0.38 -0.04 7.19 6.73 1rvyA1 GLY 112 H -0.24 0.78 0.35 -0.55 8.43 8.77 1rvyA1 GLY 112 HA2 -0.10 0.17 0.77 -0.51 4.01 4.34 1rvyA1 GLY 112 HA3 -0.49 -0.02 0.26 -0.51 4.01 3.26 1rvyA1 VAL 113 H -0.12 0.24 0.14 -0.55 8.24 7.94 1rvyA1 VAL 113 HA -0.26 0.26 0.84 -0.75 4.13 4.22 1rvyA1 VAL 113 HB -0.02 0.08 -0.30 -0.04 2.12 1.84 1rvyA1 VAL 113 HG13 -0.03 -0.01 -0.07 -0.04 0.97 0.82 1rvyA1 VAL 113 HG23 -0.71 -0.01 -0.33 -0.04 0.95 -0.15 1rvyA1 ASN 114 H -0.01 0.70 0.30 -0.55 8.53 8.97 1rvyA1 ASN 114 HA 0.09 0.15 0.91 -0.75 4.76 5.15 1rvyA1 ASN 114 HB2 0.14 0.07 0.03 -0.04 2.88 3.08 1rvyA1 ASN 114 HB3 0.04 -0.06 0.18 -0.04 2.79 2.92 1rvyA1 ASN 114 HD21 0.41 0.07 0.03 -0.04 7.03 7.49 1rvyA1 ASN 114 HD22 0.03 0.03 -0.05 -0.04 7.74 7.70 1rvyA1 VAL 115 H 0.04 0.20 0.12 -0.55 8.24 8.05 1rvyA1 VAL 115 HA -0.08 0.25 0.97 -0.75 4.13 4.51 1rvyA1 VAL 115 HB -0.03 0.01 0.11 -0.04 2.12 2.17 1rvyA1 VAL 115 HG13 -0.07 0.01 -0.30 -0.04 0.97 0.57 1rvyA1 VAL 115 HG23 0.01 0.01 -0.03 -0.04 0.95 0.90 1rvyA1 GLN 116 H -0.00 0.01 -0.17 -0.55 8.47 7.76 1rvyA1 GLN 116 HA -0.07 0.18 0.80 -0.75 4.36 4.52 1rvyA1 GLN 116 HB2 -0.02 -0.00 0.03 -0.04 2.15 2.11 1rvyA1 GLN 116 HB3 -0.18 0.00 -0.03 -0.04 2.02 1.77 1rvyA1 GLN 116 HG2 -0.10 -0.02 -0.05 -0.04 2.40 2.19 1rvyA1 GLN 116 HG3 -0.01 -0.10 -0.06 -0.04 2.39 2.18 1rvyA1 GLN 116 HE21 -0.92 0.64 0.21 -0.04 6.97 6.85 1rvyA1 GLN 116 HE22 -0.23 -0.15 0.06 -0.04 7.69 7.33 1rvyA1 PRO 117 HA -0.25 -0.01 0.32 -0.51 4.44 3.99 1rvyA1 PRO 117 HB2 -0.05 0.02 -0.19 -0.04 2.28 2.01 1rvyA1 PRO 117 HB3 -0.06 -0.06 -0.09 -0.04 2.02 1.76 1rvyA1 PRO 117 HG2 -0.06 -0.01 -0.29 -0.04 2.03 1.63 1rvyA1 PRO 117 HG3 -0.07 0.05 -0.09 -0.04 2.03 1.88 1rvyA1 PRO 117 HD2 -0.07 0.33 -0.13 -0.04 3.68 3.77 1rvyA1 PRO 117 HD3 -0.04 -0.10 -0.06 -0.04 3.65 3.40 1rvyA1 TYR 118 H -0.22 0.08 0.14 -0.55 8.29 7.74 1rvyA1 TYR 118 HA -0.22 0.19 0.59 -0.75 4.56 4.37 1rvyA1 TYR 118 HB2 -0.11 -0.08 0.07 -0.04 3.06 2.90 1rvyA1 TYR 118 HB3 -0.20 0.01 0.07 -0.04 2.98 2.82 1rvyA1 TYR 118 HD2 -0.30 0.01 0.02 -0.04 7.15 6.84 1rvyA1 TYR 118 HE2 -0.15 -0.07 0.05 -0.04 6.85 6.64 1rvyA1 SER 119 H 0.03 0.16 -0.16 -0.55 8.46 7.95 1rvyA1 SER 119 HA 0.07 0.10 0.12 -0.75 4.49 4.02 1rvyA1 SER 119 HB2 0.05 0.21 -0.56 -0.04 3.95 3.60 1rvyA1 SER 119 HB3 0.07 -0.10 -0.15 -0.04 3.93 3.70 1rvyA1 GLY 120 H 0.12 0.16 0.05 -0.55 8.43 8.22 1rvyA1 GLY 120 HA2 0.02 0.16 0.29 -0.51 4.01 3.96 1rvyA1 GLY 120 HA3 0.02 0.02 0.28 -0.51 4.01 3.82 1rvyA1 SER 121 H 0.08 0.11 -0.05 -0.55 8.46 8.06 1rvyA1 SER 121 HA 0.13 0.01 0.32 -0.75 4.49 4.20 1rvyA1 SER 121 HB2 0.09 0.09 0.01 -0.04 3.95 4.10 1rvyA1 SER 121 HB3 0.14 0.02 -0.02 -0.04 3.93 4.04 1rvyA1 PRO 122 HA 0.07 0.10 0.34 -0.51 4.44 4.44 1rvyA1 PRO 122 HB2 -0.00 -0.06 -0.01 -0.04 2.28 2.17 1rvyA1 PRO 122 HB3 0.00 0.13 0.01 -0.04 2.02 2.12 1rvyA1 PRO 122 HG2 0.09 0.03 -0.10 -0.04 2.03 2.01 1rvyA1 PRO 122 HG3 0.06 0.12 -0.06 -0.04 2.03 2.11 1rvyA1 PRO 122 HD2 0.06 -0.08 -0.76 -0.04 3.68 2.86 1rvyA1 PRO 122 HD3 0.07 0.06 -0.09 -0.04 3.65 3.64 1rvyA1 ALA 123 H 0.01 0.41 -0.32 -0.55 8.40 7.95 1rvyA1 ALA 123 HA -0.04 0.04 0.31 -0.75 4.34 3.90 1rvyA1 ALA 123 HB3 -0.03 0.03 0.00 -0.04 1.41 1.37 1rvyA1 ASN 124 H -0.03 0.37 -0.15 -0.55 8.53 8.17 1rvyA1 ASN 124 HA -0.30 0.03 0.31 -0.75 4.76 4.04 1rvyA1 ASN 124 HB2 0.01 0.08 0.09 -0.04 2.88 3.02 1rvyA1 ASN 124 HB3 -0.36 0.06 -0.09 -0.04 2.79 2.36 1rvyA1 ASN 124 HD21 0.16 -0.09 -0.18 -0.04 7.03 6.88 1rvyA1 ASN 124 HD22 0.22 -0.07 -0.12 -0.04 7.74 7.74 1rvyA1 PHE 125 H 0.07 0.45 -0.16 -0.55 8.34 8.15 1rvyA1 PHE 125 HA -0.05 0.00 0.31 -0.75 4.62 4.13 1rvyA1 PHE 125 HB2 0.08 -0.03 0.04 -0.04 3.15 3.20 1rvyA1 PHE 125 HB3 0.02 0.11 -0.00 -0.04 3.06 3.15 1rvyA1 PHE 125 HD2 0.21 -0.02 -0.17 -0.04 7.28 7.27 1rvyA1 PHE 125 HE2 0.23 0.02 -0.20 -0.04 7.38 7.39 1rvyA1 PHE 125 HZ -0.21 0.05 -0.07 -0.04 7.32 7.05 1rvyA1 ALA 126 H 0.03 0.53 -0.27 -0.55 8.40 8.15 1rvyA1 ALA 126 HA 0.05 0.07 0.27 -0.75 4.34 3.98 1rvyA1 ALA 126 HB3 -0.02 0.03 0.02 -0.04 1.41 1.40 1rvyA1 VAL 127 H -0.19 0.42 -0.24 -0.55 8.24 7.67 1rvyA1 VAL 127 HA -0.11 0.03 0.31 -0.75 4.13 3.60 1rvyA1 VAL 127 HB -0.30 0.12 0.09 -0.04 2.12 1.99 1rvyA1 VAL 127 HG13 -0.08 -0.02 -0.17 -0.04 0.97 0.66 1rvyA1 VAL 127 HG23 -0.08 0.04 -0.03 -0.04 0.95 0.83 1rvyA1 TYR 128 H -0.50 0.54 -0.09 -0.55 8.29 7.69 1rvyA1 TYR 128 HA -0.36 0.01 0.35 -0.75 4.56 3.80 1rvyA1 TYR 128 HB2 -0.70 0.07 0.03 -0.04 3.06 2.42 1rvyA1 TYR 128 HB3 -1.56 0.00 -0.07 -0.04 2.98 1.31 1rvyA1 TYR 128 HD2 -0.22 -0.05 -0.13 -0.04 7.15 6.71 1rvyA1 TYR 128 HE2 0.05 -0.06 -0.11 -0.04 6.85 6.68 1rvyA1 THR 129 H -0.13 0.70 -0.21 -0.55 8.28 8.10 1rvyA1 THR 129 HA 0.17 -0.05 0.30 -0.75 4.39 4.05 1rvyA1 THR 129 HB 0.01 0.16 0.06 -0.04 4.32 4.50 1rvyA1 THR 129 HG23 0.03 -0.01 -0.03 -0.04 1.22 1.17 1rvyA1 ALA 130 H -0.05 0.23 -0.56 -0.55 8.40 7.46 1rvyA1 ALA 130 HA -0.03 0.15 0.70 -0.75 4.34 4.41 1rvyA1 ALA 130 HB3 -0.08 -0.05 -0.17 -0.04 1.41 1.07 1rvyA1 LEU 131 H -0.08 0.51 0.08 -0.55 8.37 8.33 1rvyA1 LEU 131 HA -0.06 0.20 0.91 -0.75 4.35 4.65 1rvyA1 LEU 131 HB2 -0.14 -0.01 -0.01 -0.04 1.64 1.44 1rvyA1 LEU 131 HB3 -0.31 0.01 0.03 -0.04 1.64 1.32 1rvyA1 LEU 131 HG -0.20 0.01 -0.08 -0.04 1.64 1.34 1rvyA1 LEU 131 HD13 -0.48 -0.03 -0.08 -0.04 0.93 0.30 1rvyA1 LEU 131 HD23 -0.36 0.02 -0.15 -0.04 0.89 0.35 1rvyA1 VAL 132 H -0.03 0.40 0.11 -0.55 8.24 8.17 1rvyA1 VAL 132 HA 0.04 0.13 0.69 -0.75 4.13 4.23 1rvyA1 VAL 132 HB -0.25 0.01 0.12 -0.04 2.12 1.96 1rvyA1 VAL 132 HG13 0.02 0.06 -0.24 -0.04 0.97 0.78 1rvyA1 VAL 132 HG23 -0.18 -0.04 -0.09 -0.04 0.95 0.59 1rvyA1 GLU 133 H 0.24 0.23 0.00 -0.55 8.60 8.53 1rvyA1 GLU 133 HA 0.16 0.05 0.30 -0.75 4.29 4.04 1rvyA1 GLU 133 HB2 0.09 0.41 0.44 -0.04 2.09 2.99 1rvyA1 GLU 133 HB3 0.07 -0.03 0.07 -0.04 1.99 2.06 1rvyA1 GLU 133 HG2 0.05 -0.00 -0.08 -0.04 2.34 2.26 1rvyA1 GLU 133 HG3 0.06 -0.05 -0.66 -0.04 2.34 1.64 1rvyA1 PRO 134 HA -0.40 0.19 0.50 -0.51 4.44 4.23 1rvyA1 PRO 134 HB2 0.01 0.00 0.11 -0.04 2.28 2.36 1rvyA1 PRO 134 HB3 -0.22 0.02 0.10 -0.04 2.02 1.88 1rvyA1 PRO 134 HG2 -0.04 0.01 0.09 -0.04 2.03 2.05 1rvyA1 PRO 134 HG3 -0.14 0.01 0.12 -0.04 2.03 1.98 1rvyA1 PRO 134 HD2 0.02 0.13 0.15 -0.04 3.68 3.94 1rvyA1 PRO 134 HD3 0.02 0.12 0.20 -0.04 3.65 3.94 1rvyA1 HIS 135 H -0.33 0.66 0.42 -0.55 8.41 8.62 1rvyA1 HIS 135 HA 0.06 -0.08 0.21 -0.75 4.63 4.07 1rvyA1 HIS 135 HB2 0.02 0.24 0.06 -0.04 3.26 3.54 1rvyA1 HIS 135 HB3 0.02 -0.06 0.10 -0.04 3.20 3.21 1rvyA1 HIS 135 HD2 0.00 0.05 -0.21 -0.04 6.97 6.76 1rvyA1 HIS 135 HE1 -0.01 -0.01 -0.04 -0.04 7.75 7.65 1rvyA1 GLY 136 H 0.25 0.61 -0.31 -0.55 8.43 8.44 1rvyA1 GLY 136 HA2 0.08 0.05 0.45 -0.51 4.01 4.08 1rvyA1 GLY 136 HA3 0.12 0.11 0.18 -0.51 4.01 3.92 1rvyA1 ARG 137 H -0.02 0.16 0.24 -0.55 8.46 8.28 1rvyA1 ARG 137 HA 0.07 0.38 0.87 -0.75 4.34 4.91 1rvyA1 ARG 137 HB2 -0.25 0.07 0.15 -0.04 1.90 1.83 1rvyA1 ARG 137 HB3 -0.54 -0.05 -0.02 -0.04 1.80 1.15 1rvyA1 ARG 137 HG2 -0.23 -0.02 -0.00 -0.04 1.67 1.38 1rvyA1 ARG 137 HG3 -0.18 -0.01 0.07 -0.04 1.67 1.51 1rvyA1 ARG 137 HD2 -0.49 0.19 0.07 -0.04 3.22 2.95 1rvyA1 ARG 137 HD3 -1.92 -0.04 -0.00 -0.04 3.22 1.22 1rvyA1 ILE 138 H 0.23 0.66 0.37 -0.55 8.25 8.96 1rvyA1 ILE 138 HA 0.05 0.26 1.00 -0.75 4.18 4.73 1rvyA1 ILE 138 HB -0.09 -0.09 -0.13 -0.04 1.89 1.54 1rvyA1 ILE 138 HG12 -0.19 0.07 -0.21 -0.04 1.49 1.12 1rvyA1 ILE 138 HG13 -0.14 0.10 -0.63 -0.04 1.21 0.50 1rvyA1 ILE 138 HG23 -0.20 -0.00 -0.19 -0.04 0.93 0.50 1rvyA1 ILE 138 HD13 -0.90 -0.03 -0.20 -0.04 0.88 -0.29 1rvyA1 MET 139 H 0.09 0.54 0.40 -0.55 8.47 8.95 1rvyA1 MET 139 HA 0.00 0.35 1.14 -0.75 4.52 5.26 1rvyA1 MET 139 HB2 0.18 -0.10 0.11 -0.04 2.15 2.30 1rvyA1 MET 139 HB3 0.15 -0.04 0.08 -0.04 2.03 2.18 1rvyA1 MET 139 HG2 0.15 0.12 -0.16 -0.04 2.63 2.70 1rvyA1 MET 139 HG3 0.32 -0.03 -0.19 -0.04 2.56 2.61 1rvyA1 MET 139 HE3 0.14 -0.00 -0.07 -0.04 2.10 2.12 1rvyA1 GLY 140 H -0.19 0.31 0.25 -0.55 8.43 8.25 1rvyA1 GLY 140 HA2 -0.18 0.15 0.76 -0.51 4.01 4.23 1rvyA1 GLY 140 HA3 -0.12 0.11 0.34 -0.51 4.01 3.83 1rvyA1 LEU 141 H -0.27 0.15 0.17 -0.55 8.37 7.87 1rvyA1 LEU 141 HA -0.84 0.15 0.51 -0.75 4.35 3.41 1rvyA1 LEU 141 HB2 -0.11 0.01 0.09 -0.04 1.64 1.60 1rvyA1 LEU 141 HB3 -0.05 -0.09 0.10 -0.04 1.64 1.55 1rvyA1 LEU 141 HG -0.11 0.04 -0.50 -0.04 1.64 1.02 1rvyA1 LEU 141 HD13 -0.09 0.03 -0.06 -0.04 0.93 0.77 1rvyA1 LEU 141 HD23 -0.18 0.06 -0.33 -0.04 0.89 0.40 1rvyA1 ASP 142 H -0.25 0.57 0.30 -0.55 8.40 8.48 1rvyA1 ASP 142 HA -0.10 0.08 0.40 -0.75 4.63 4.26 1rvyA1 ASP 142 HB2 -0.10 0.08 -0.10 -0.04 2.71 2.55 1rvyA1 ASP 142 HB3 -0.06 -0.08 0.02 -0.04 2.70 2.53 1rvyA1 LEU 143 H -0.04 0.21 0.12 -0.55 8.37 8.12 1rvyA1 LEU 143 HA -0.09 0.03 0.30 -0.75 4.35 3.84 1rvyA1 LEU 143 HB2 -0.06 0.01 0.15 -0.04 1.64 1.70 1rvyA1 LEU 143 HB3 -0.16 0.01 -0.04 -0.04 1.64 1.41 1rvyA1 LEU 143 HG -0.22 0.04 -0.16 -0.04 1.64 1.26 1rvyA1 LEU 143 HD13 -0.05 -0.01 -0.19 -0.04 0.93 0.65 1rvyA1 LEU 143 HD23 -0.65 -0.03 -0.03 -0.04 0.89 0.14 1rvyA1 PRO 144 HA -0.04 0.03 0.38 -0.51 4.44 4.30 1rvyA1 PRO 144 HB2 -0.02 0.14 -0.08 -0.04 2.28 2.29 1rvyA1 PRO 144 HB3 -0.02 -0.02 0.06 -0.04 2.02 1.99 1rvyA1 PRO 144 HG2 -0.02 0.05 -0.14 -0.04 2.03 1.89 1rvyA1 PRO 144 HG3 -0.00 0.07 -0.02 -0.04 2.03 2.04 1rvyA1 PRO 144 HD2 -0.02 -0.00 -0.03 -0.04 3.68 3.59 1rvyA1 PRO 144 HD3 -0.02 0.11 0.08 -0.04 3.65 3.78 1rvyA1 ASP 145 H -0.04 0.35 -0.81 -0.55 8.40 7.35 1rvyA1 ASP 145 HA -0.01 0.16 0.69 -0.75 4.63 4.72 1rvyA1 ASP 145 HB2 -0.05 0.13 0.03 -0.04 2.71 2.78 1rvyA1 ASP 145 HB3 -0.03 -0.06 0.07 -0.04 2.70 2.64 1rvyA1 GLY 146 H -0.04 0.75 0.02 -0.55 8.43 8.61 1rvyA1 GLY 146 HA2 -0.02 0.00 0.27 -0.51 4.01 3.75 1rvyA1 GLY 146 HA3 0.01 0.24 0.83 -0.51 4.01 4.58 1rvyA1 GLY 147 H -0.06 0.27 -0.07 -0.55 8.43 8.02 1rvyA1 GLY 147 HA2 0.01 0.06 0.65 -0.51 4.01 4.21 1rvyA1 GLY 147 HA3 -0.03 0.39 0.06 -0.51 4.01 3.92 1rvyA1 HIS 148 H -0.19 0.19 0.06 -0.55 8.41 7.93 1rvyA1 HIS 148 HA -0.17 0.24 0.88 -0.75 4.63 4.82 1rvyA1 HIS 148 HB2 -0.33 0.05 -0.14 -0.04 3.26 2.80 1rvyA1 HIS 148 HB3 -1.04 -0.01 -0.09 -0.04 3.20 2.02 1rvyA1 HIS 148 HD2 -0.05 0.11 -0.03 -0.04 6.97 6.95 1rvyA1 HIS 148 HE1 0.02 0.01 -0.03 -0.04 7.75 7.72 1rvyA1 LEU 149 H -0.83 0.20 0.08 -0.55 8.37 7.27 1rvyA1 LEU 149 HA -0.14 0.17 0.23 -0.75 4.35 3.85 1rvyA1 LEU 149 HB2 -0.33 -0.09 0.09 -0.04 1.64 1.27 1rvyA1 LEU 149 HB3 -0.04 -0.01 -0.04 -0.04 1.64 1.52 1rvyA1 LEU 149 HG -0.43 0.00 0.08 -0.04 1.64 1.25 1rvyA1 LEU 149 HD13 -0.10 0.02 -0.01 -0.04 0.93 0.79 1rvyA1 LEU 149 HD23 -0.42 0.02 -0.01 -0.04 0.89 0.44 1rvyA1 THR 150 H -0.00 0.08 -0.22 -0.55 8.28 7.59 1rvyA1 THR 150 HA 0.29 -0.02 0.25 -0.75 4.39 4.15 1rvyA1 THR 150 HB 0.40 0.08 0.03 -0.04 4.32 4.78 1rvyA1 THR 150 HG23 0.28 -0.02 0.01 -0.04 1.22 1.45 1rvyA1 HIS 151 H 0.11 0.57 -0.86 -0.55 8.41 7.69 1rvyA1 HIS 151 HA 0.12 0.13 0.57 -0.75 4.63 4.69 1rvyA1 HIS 151 HB2 0.03 0.22 -0.01 -0.04 3.26 3.46 1rvyA1 HIS 151 HB3 0.00 -0.06 0.07 -0.04 3.20 3.17 1rvyA1 HIS 151 HD2 0.24 0.04 -0.58 -0.04 6.97 6.62 1rvyA1 HIS 151 HE1 0.08 -0.03 -0.33 -0.04 7.75 7.42 1rvyA1 GLY 152 H 0.15 0.60 -0.16 -0.55 8.43 8.48 1rvyA1 GLY 152 HA2 0.10 -0.14 0.18 -0.51 4.01 3.64 1rvyA1 GLY 152 HA3 0.05 0.23 0.71 -0.51 4.01 4.49 1rvyA1 PHE 153 H 0.11 0.11 0.02 -0.55 8.34 8.03 1rvyA1 PHE 153 HA -0.03 0.12 0.55 -0.75 4.62 4.51 1rvyA1 PHE 153 HB2 -0.04 0.16 -0.02 -0.04 3.15 3.20 1rvyA1 PHE 153 HB3 -0.02 -0.15 0.07 -0.04 3.06 2.92 1rvyA1 PHE 153 HD2 -0.03 -0.01 0.00 -0.04 7.28 7.20 1rvyA1 PHE 153 HE2 -0.02 0.03 -0.07 -0.04 7.38 7.28 1rvyA1 PHE 153 HZ -0.02 0.03 -0.07 -0.04 7.32 7.21 1rvyA1 MET 154 H -0.07 0.32 0.20 -0.55 8.47 8.37 1rvyA1 MET 154 HA -0.46 0.02 0.93 -0.75 4.52 4.25 1rvyA1 MET 154 HB2 -0.13 0.22 0.20 -0.04 2.15 2.40 1rvyA1 MET 154 HB3 -0.12 -0.08 -0.01 -0.04 2.03 1.78 1rvyA1 MET 154 HG2 -0.05 -0.18 -0.01 -0.04 2.63 2.35 1rvyA1 MET 154 HG3 -0.07 0.06 -0.22 -0.04 2.56 2.29 1rvyA1 MET 154 HE3 -0.03 0.00 -0.06 -0.04 2.10 1.97 1rvyA1 THR 155 H -0.18 0.64 0.37 -0.55 8.28 8.56 1rvyA1 THR 155 HA -0.07 0.22 0.93 -0.75 4.39 4.72 1rvyA1 THR 155 HB -0.05 -0.07 0.25 -0.04 4.32 4.40 1rvyA1 THR 155 HG23 -0.11 0.02 -0.05 -0.04 1.22 1.04 1rvyA1 ASP 156 H -0.04 0.15 0.18 -0.55 8.40 8.14 1rvyA1 ASP 156 HA -0.03 0.19 0.47 -0.75 4.63 4.51 1rvyA1 ASP 156 HB2 -0.02 0.07 0.14 -0.04 2.71 2.86 1rvyA1 ASP 156 HB3 -0.02 0.01 0.13 -0.04 2.70 2.77 1rvyA1 LYS 157 H -0.05 -0.16 -0.31 -0.55 8.42 7.35 1rvyA1 LYS 157 HA -0.03 0.32 1.00 -0.75 4.32 4.86 1rvyA1 LYS 157 HB2 -0.03 -0.07 -0.01 -0.04 1.87 1.72 1rvyA1 LYS 157 HB3 -0.03 0.04 0.07 -0.04 1.79 1.83 1rvyA1 LYS 157 HG2 -0.02 0.15 -0.13 -0.04 1.46 1.42 1rvyA1 LYS 157 HG3 -0.02 -0.14 -0.29 -0.04 1.46 0.96 1rvyA1 LYS 157 HD2 -0.02 -0.04 -0.03 -0.04 1.69 1.56 1rvyA1 LYS 157 HD3 -0.02 0.03 -0.02 -0.04 1.68 1.63 1rvyA1 LYS 157 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 1rvyA1 LYS 157 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 1rvyA1 LYS 158 H -0.08 -0.02 -0.01 -0.55 8.42 7.75 1rvyA1 LYS 158 HA -0.07 0.23 0.68 -0.75 4.32 4.42 1rvyA1 LYS 158 HB2 -0.06 0.10 -0.28 -0.04 1.87 1.60 1rvyA1 LYS 158 HB3 -0.10 -0.13 -0.08 -0.04 1.79 1.45 1rvyA1 LYS 158 HG2 -0.10 0.05 -0.38 -0.04 1.46 0.99 1rvyA1 LYS 158 HG3 -0.06 0.07 0.03 -0.04 1.46 1.46 1rvyA1 LYS 158 HD2 -0.07 -0.09 -0.13 -0.04 1.69 1.36 1rvyA1 LYS 158 HD3 -0.05 0.05 -0.09 -0.04 1.68 1.55 1rvyA1 LYS 158 HE2 -0.04 -0.04 -0.09 -0.04 2.99 2.78 1rvyA1 LYS 158 HE3 -0.03 -0.02 -0.05 -0.04 2.99 2.85 1rvyA1 LYS 159 H -0.09 0.27 0.10 -0.55 8.42 8.15 1rvyA1 LYS 159 HA -0.15 0.02 0.84 -0.75 4.32 4.28 1rvyA1 LYS 159 HB2 -0.10 -0.03 0.13 -0.04 1.87 1.83 1rvyA1 LYS 159 HB3 -0.08 0.10 -0.31 -0.04 1.79 1.45 1rvyA1 LYS 159 HG2 -0.05 -0.02 -0.01 -0.04 1.46 1.34 1rvyA1 LYS 159 HG3 -0.06 -0.13 -0.04 -0.04 1.46 1.19 1rvyA1 LYS 159 HD2 -0.05 -0.10 0.11 -0.04 1.69 1.60 1rvyA1 LYS 159 HD3 -0.04 0.66 0.35 -0.04 1.68 2.61 1rvyA1 LYS 159 HE2 0.01 -0.05 0.03 -0.04 2.99 2.94 1rvyA1 LYS 159 HE3 -0.01 -0.10 -0.00 -0.04 2.99 2.84 1rvyA1 ILE 160 H -0.32 0.29 0.30 -0.55 8.25 7.98 1rvyA1 ILE 160 HA -0.09 0.20 0.73 -0.75 4.18 4.26 1rvyA1 ILE 160 HB -0.61 0.05 0.11 -0.04 1.89 1.40 1rvyA1 ILE 160 HG12 -0.08 -0.01 -0.07 -0.04 1.49 1.29 1rvyA1 ILE 160 HG13 -0.14 0.04 -0.18 -0.04 1.21 0.89 1rvyA1 ILE 160 HG23 0.18 -0.02 -0.20 -0.04 0.93 0.85 1rvyA1 ILE 160 HD13 -0.62 -0.00 -0.11 -0.04 0.88 0.11 1rvyA1 SER 161 H -0.01 0.38 0.21 -0.55 8.46 8.50 1rvyA1 SER 161 HA 0.14 0.09 0.48 -0.75 4.49 4.45 1rvyA1 SER 161 HB2 0.24 0.04 0.02 -0.04 3.95 4.20 1rvyA1 SER 161 HB3 0.16 -0.06 0.16 -0.04 3.93 4.15 1rvyA1 ALA 162 H 0.18 0.13 0.11 -0.55 8.40 8.27 1rvyA1 ALA 162 HA 0.14 0.18 0.33 -0.75 4.34 4.23 1rvyA1 ALA 162 HB3 0.31 0.02 0.05 -0.04 1.41 1.74 1rvyA1 THR 163 H 0.36 -0.02 -0.30 -0.55 8.28 7.77 1rvyA1 THR 163 HA 0.60 0.12 0.22 -0.75 4.39 4.58 1rvyA1 THR 163 HB 0.19 -0.15 -0.14 -0.04 4.32 4.16 1rvyA1 THR 163 HG23 -0.24 0.04 -0.33 -0.04 1.22 0.65 1rvyA1 SER 164 H 0.14 -0.06 -0.39 -0.55 8.46 7.60 1rvyA1 SER 164 HA 0.09 0.16 0.32 -0.75 4.49 4.30 1rvyA1 SER 164 HB2 -0.00 0.02 -0.02 -0.04 3.95 3.90 1rvyA1 SER 164 HB3 -0.02 0.09 0.03 -0.04 3.93 3.98 1rvyA1 ILE 165 H 0.01 0.24 -0.70 -0.55 8.25 7.24 1rvyA1 ILE 165 HA -0.16 0.14 0.80 -0.75 4.18 4.20 1rvyA1 ILE 165 HB -0.56 0.01 0.12 -0.04 1.89 1.41 1rvyA1 ILE 165 HG12 -0.17 0.01 -0.11 -0.04 1.49 1.17 1rvyA1 ILE 165 HG13 -0.12 0.04 -0.47 -0.04 1.21 0.62 1rvyA1 ILE 165 HG23 -0.73 -0.01 -0.15 -0.04 0.93 -0.01 1rvyA1 ILE 165 HD13 -0.14 -0.02 -0.16 -0.04 0.88 0.51 1rvyA1 PHE 166 H -0.14 0.40 0.12 -0.55 8.34 8.16 1rvyA1 PHE 166 HA -0.32 0.12 0.59 -0.75 4.62 4.25 1rvyA1 PHE 166 HB2 -0.53 0.01 0.02 -0.04 3.15 2.61 1rvyA1 PHE 166 HB3 -0.61 -0.02 0.09 -0.04 3.06 2.47 1rvyA1 PHE 166 HD2 0.13 0.04 -0.00 -0.04 7.28 7.40 1rvyA1 PHE 166 HE2 0.01 -0.05 -0.02 -0.04 7.38 7.29 1rvyA1 PHE 166 HZ 0.00 -0.02 -0.02 -0.04 7.32 7.24 1rvyA1 PHE 167 H 0.05 0.25 -0.29 -0.55 8.34 7.79 1rvyA1 PHE 167 HA -0.02 -0.01 0.81 -0.75 4.62 4.65 1rvyA1 PHE 167 HB2 -0.05 0.13 -0.09 -0.04 3.15 3.09 1rvyA1 PHE 167 HB3 -0.04 0.19 -0.04 -0.04 3.06 3.12 1rvyA1 PHE 167 HD2 -0.01 0.11 -0.10 -0.04 7.28 7.24 1rvyA1 PHE 167 HE2 -0.34 -0.09 -0.27 -0.04 7.38 6.64 1rvyA1 PHE 167 HZ -0.31 0.00 -0.35 -0.04 7.32 6.63 1rvyA1 GLU 168 H 0.22 0.70 -0.08 -0.55 8.60 8.90 1rvyA1 GLU 168 HA 0.15 0.13 0.83 -0.75 4.29 4.65 1rvyA1 GLU 168 HB2 0.12 0.10 -0.07 -0.04 2.09 2.20 1rvyA1 GLU 168 HB3 0.20 -0.04 -0.04 -0.04 1.99 2.07 1rvyA1 GLU 168 HG2 0.20 -0.05 -0.14 -0.04 2.34 2.31 1rvyA1 GLU 168 HG3 0.10 0.02 -0.03 -0.04 2.34 2.40 1rvyA1 SER 169 H 0.12 0.18 0.07 -0.55 8.46 8.28 1rvyA1 SER 169 HA 0.16 0.40 1.08 -0.75 4.49 5.37 1rvyA1 SER 169 HB2 0.01 0.06 -0.09 -0.04 3.95 3.89 1rvyA1 SER 169 HB3 0.05 -0.01 -0.25 -0.04 3.93 3.67 1rvyA1 MET 170 H -0.07 0.66 0.34 -0.55 8.47 8.85 1rvyA1 MET 170 HA -0.20 0.03 0.70 -0.75 4.52 4.29 1rvyA1 MET 170 HB2 -0.94 0.08 -0.14 -0.04 2.15 1.10 1rvyA1 MET 170 HB3 -1.31 0.01 0.05 -0.04 2.03 0.74 1rvyA1 MET 170 HG2 -0.34 0.11 -0.16 -0.04 2.63 2.20 1rvyA1 MET 170 HG3 -0.29 -0.05 0.06 -0.04 2.56 2.23 1rvyA1 MET 170 HE3 -0.39 -0.00 -0.09 -0.04 2.10 1.57 1rvyA1 ALA 171 H -0.13 0.08 0.10 -0.55 8.40 7.90 1rvyA1 ALA 171 HA -0.23 0.09 0.87 -0.75 4.34 4.32 1rvyA1 ALA 171 HB3 -0.14 -0.02 0.01 -0.04 1.41 1.22 1rvyA1 TYR 172 H -0.63 0.45 0.28 -0.55 8.29 7.85 1rvyA1 TYR 172 HA -0.08 0.17 0.82 -0.75 4.56 4.71 1rvyA1 TYR 172 HB2 -0.10 -0.00 0.05 -0.04 3.06 2.97 1rvyA1 TYR 172 HB3 -0.08 0.09 -0.03 -0.04 2.98 2.91 1rvyA1 TYR 172 HD2 -0.10 0.08 -0.27 -0.04 7.15 6.81 1rvyA1 TYR 172 HE2 -0.13 0.04 -0.13 -0.04 6.85 6.59 1rvyA1 LYS 173 H 0.07 0.14 0.10 -0.55 8.42 8.18 1rvyA1 LYS 173 HA 0.00 0.15 0.90 -0.75 4.32 4.62 1rvyA1 LYS 173 HB2 0.01 0.02 0.01 -0.04 1.87 1.87 1rvyA1 LYS 173 HB3 0.00 0.02 0.17 -0.04 1.79 1.95 1rvyA1 LYS 173 HG2 -0.02 -0.03 -0.16 -0.04 1.46 1.21 1rvyA1 LYS 173 HG3 -0.01 0.00 -0.07 -0.04 1.46 1.35 1rvyA1 LYS 173 HD2 -0.01 0.02 -0.03 -0.04 1.69 1.62 1rvyA1 LYS 173 HD3 -0.00 0.01 -0.00 -0.04 1.68 1.64 1rvyA1 LYS 173 HE2 -0.00 0.07 0.01 -0.04 2.99 3.02 1rvyA1 LYS 173 HE3 0.00 0.05 0.04 -0.04 2.99 3.04 1rvyA1 VAL 174 H 0.01 0.25 0.15 -0.55 8.24 8.11 1rvyA1 VAL 174 HA 0.02 -0.16 1.01 -0.75 4.13 4.24 1rvyA1 VAL 174 HB 0.10 0.14 -0.61 -0.04 2.12 1.70 1rvyA1 VAL 174 HG13 -0.02 -0.00 -0.20 -0.04 0.97 0.71 1rvyA1 VAL 174 HG23 0.04 0.01 -0.22 -0.04 0.95 0.74 1rvyA1 ASN 175 H 0.08 0.62 0.24 -0.55 8.53 8.92 1rvyA1 ASN 175 HA 0.04 0.15 0.51 -0.75 4.76 4.70 1rvyA1 ASN 175 HB2 0.07 0.04 0.12 -0.04 2.88 3.07 1rvyA1 ASN 175 HB3 0.11 -0.12 0.21 -0.04 2.79 2.95 1rvyA1 ASN 175 HD21 0.03 0.08 -0.00 -0.04 7.03 7.09 1rvyA1 ASN 175 HD22 0.04 0.01 0.02 -0.04 7.74 7.77 1rvyA1 PRO 176 HA 0.03 0.05 0.39 -0.51 4.44 4.40 1rvyA1 PRO 176 HB2 0.01 0.02 0.02 -0.04 2.28 2.29 1rvyA1 PRO 176 HB3 0.01 0.20 0.07 -0.04 2.02 2.26 1rvyA1 PRO 176 HG2 0.02 0.00 -0.02 -0.04 2.03 1.99 1rvyA1 PRO 176 HG3 0.01 0.09 0.07 -0.04 2.03 2.17 1rvyA1 PRO 176 HD2 0.02 0.01 0.25 -0.04 3.68 3.92 1rvyA1 PRO 176 HD3 0.02 0.28 0.30 -0.04 3.65 4.21 1rvyA1 ASP 177 H 0.04 -0.02 -0.51 -0.55 8.40 7.37 1rvyA1 ASP 177 HA 0.03 0.27 0.95 -0.75 4.63 5.13 1rvyA1 ASP 177 HB2 0.03 -0.04 -0.01 -0.04 2.71 2.65 1rvyA1 ASP 177 HB3 0.02 0.06 0.09 -0.04 2.70 2.84 1rvyA1 THR 178 H 0.08 0.06 -0.00 -0.55 8.28 7.88 1rvyA1 THR 178 HA 0.12 0.29 0.91 -0.75 4.39 4.96 1rvyA1 THR 178 HB 0.26 0.08 0.14 -0.04 4.32 4.76 1rvyA1 THR 178 HG23 0.06 0.01 -0.14 -0.04 1.22 1.10 1rvyA1 GLY 179 H 0.08 0.30 0.14 -0.55 8.43 8.40 1rvyA1 GLY 179 HA2 0.03 0.04 0.31 -0.51 4.01 3.88 1rvyA1 GLY 179 HA3 -0.05 0.04 0.43 -0.51 4.01 3.92 1rvyA1 TYR 180 H 0.28 -0.08 -0.51 -0.55 8.29 7.42 1rvyA1 TYR 180 HA 0.28 0.21 0.77 -0.75 4.56 5.07 1rvyA1 TYR 180 HB2 0.09 -0.08 0.00 -0.04 3.06 3.02 1rvyA1 TYR 180 HB3 0.17 0.04 0.03 -0.04 2.98 3.17 1rvyA1 TYR 180 HD2 0.08 -0.05 0.01 -0.04 7.15 7.16 1rvyA1 TYR 180 HE2 -0.02 0.03 0.05 -0.04 6.85 6.86 1rvyA1 ILE 181 H 0.37 0.17 0.14 -0.55 8.25 8.39 1rvyA1 ILE 181 HA -0.06 0.09 0.48 -0.75 4.18 3.94 1rvyA1 ILE 181 HB -0.37 -0.05 0.13 -0.04 1.89 1.56 1rvyA1 ILE 181 HG12 -0.26 0.07 -0.07 -0.04 1.49 1.18 1rvyA1 ILE 181 HG13 -0.46 0.01 0.04 -0.04 1.21 0.76 1rvyA1 ILE 181 HG23 -0.79 0.01 -0.27 -0.04 0.93 -0.17 1rvyA1 ILE 181 HD13 -0.36 0.00 -0.04 -0.04 0.88 0.45 1rvyA1 ASP 182 H -0.06 0.45 0.36 -0.55 8.40 8.60 1rvyA1 ASP 182 HA 0.04 0.09 0.63 -0.75 4.63 4.63 1rvyA1 ASP 182 HB2 0.02 0.01 0.05 -0.04 2.71 2.74 1rvyA1 ASP 182 HB3 -0.02 0.12 0.17 -0.04 2.70 2.93 1rvyA1 TYR 183 H 0.24 0.36 0.17 -0.55 8.29 8.52 1rvyA1 TYR 183 HA -0.14 0.11 0.39 -0.75 4.56 4.16 1rvyA1 TYR 183 HB2 -0.05 0.02 0.09 -0.04 3.06 3.08 1rvyA1 TYR 183 HB3 -0.08 0.04 0.00 -0.04 2.98 2.90 1rvyA1 TYR 183 HD2 -0.07 0.07 0.06 -0.04 7.15 7.17 1rvyA1 TYR 183 HE2 -0.02 0.02 0.04 -0.04 6.85 6.84 1rvyA1 ASP 184 H 0.07 0.09 -0.11 -0.55 8.40 7.91 1rvyA1 ASP 184 HA 0.03 0.14 0.40 -0.75 4.63 4.45 1rvyA1 ASP 184 HB2 0.02 -0.06 0.07 -0.04 2.71 2.70 1rvyA1 ASP 184 HB3 0.01 0.09 -0.03 -0.04 2.70 2.73 1rvyA1 ARG 185 H -0.00 0.07 -0.22 -0.55 8.46 7.75 1rvyA1 ARG 185 HA -0.00 0.11 0.41 -0.75 4.34 4.10 1rvyA1 ARG 185 HB2 -0.00 -0.02 0.07 -0.04 1.90 1.91 1rvyA1 ARG 185 HB3 -0.02 0.07 0.07 -0.04 1.80 1.88 1rvyA1 ARG 185 HG2 -0.00 0.01 -0.01 -0.04 1.67 1.62 1rvyA1 ARG 185 HG3 -0.00 0.02 -0.18 -0.04 1.67 1.47 1rvyA1 ARG 185 HD2 -0.00 0.05 0.02 -0.04 3.22 3.25 1rvyA1 ARG 185 HD3 -0.00 -0.04 0.15 -0.04 3.22 3.29 1rvyA1 LEU 186 H -0.07 0.29 -0.27 -0.55 8.37 7.76 1rvyA1 LEU 186 HA -0.04 0.05 0.40 -0.75 4.35 4.01 1rvyA1 LEU 186 HB2 -0.34 -0.02 0.05 -0.04 1.64 1.30 1rvyA1 LEU 186 HB3 -0.21 0.06 0.12 -0.04 1.64 1.56 1rvyA1 LEU 186 HG -0.13 0.05 -0.30 -0.04 1.64 1.22 1rvyA1 LEU 186 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.85 1rvyA1 LEU 186 HD23 -0.86 -0.02 -0.10 -0.04 0.89 -0.13 1rvyA1 GLU 187 H -0.02 0.54 -0.14 -0.55 8.60 8.43 1rvyA1 GLU 187 HA 0.00 0.03 0.33 -0.75 4.29 3.90 1rvyA1 GLU 187 HB2 0.02 -0.02 0.10 -0.04 2.09 2.14 1rvyA1 GLU 187 HB3 0.01 0.10 0.13 -0.04 1.99 2.19 1rvyA1 GLU 187 HG2 0.01 0.04 -0.19 -0.04 2.34 2.15 1rvyA1 GLU 187 HG3 0.01 -0.00 0.01 -0.04 2.34 2.32 1rvyA1 GLU 188 H -0.00 0.32 -0.36 -0.55 8.60 8.01 1rvyA1 GLU 188 HA -0.00 0.07 0.48 -0.75 4.29 4.09 1rvyA1 GLU 188 HB2 -0.00 0.06 0.19 -0.04 2.09 2.29 1rvyA1 GLU 188 HB3 -0.00 -0.02 -0.00 -0.04 1.99 1.92 1rvyA1 GLU 188 HG2 0.00 -0.01 0.01 -0.04 2.34 2.30 1rvyA1 GLU 188 HG3 0.00 0.17 0.06 -0.04 2.34 2.53 1rvyA1 ASN 189 H -0.00 0.63 0.06 -0.55 8.53 8.67 1rvyA1 ASN 189 HA 0.00 0.02 0.41 -0.75 4.76 4.44 1rvyA1 ASN 189 HB2 0.00 0.05 0.13 -0.04 2.88 3.02 1rvyA1 ASN 189 HB3 -0.00 -0.02 0.02 -0.04 2.79 2.74 1rvyA1 ASN 189 HD21 -0.01 -0.06 -0.00 -0.04 7.03 6.91 1rvyA1 ASN 189 HD22 -0.02 0.01 -0.02 -0.04 7.74 7.67 1rvyA1 ALA 190 H 0.02 0.55 -0.33 -0.55 8.40 8.09 1rvyA1 ALA 190 HA 0.10 -0.02 0.39 -0.75 4.34 4.06 1rvyA1 ALA 190 HB3 0.04 0.04 0.03 -0.04 1.41 1.48 1rvyA1 ARG 191 H -0.02 0.39 -0.32 -0.55 8.46 7.95 1rvyA1 ARG 191 HA -0.09 0.10 0.43 -0.75 4.34 4.02 1rvyA1 ARG 191 HB2 -0.03 0.13 0.10 -0.04 1.90 2.06 1rvyA1 ARG 191 HB3 -0.03 -0.05 0.07 -0.04 1.80 1.75 1rvyA1 ARG 191 HG2 -0.00 -0.01 0.03 -0.04 1.67 1.65 1rvyA1 ARG 191 HG3 -0.01 0.06 0.08 -0.04 1.67 1.76 1rvyA1 ARG 191 HD2 -0.00 0.02 0.11 -0.04 3.22 3.30 1rvyA1 ARG 191 HD3 -0.00 -0.06 0.03 -0.04 3.22 3.14 1rvyA1 LEU 192 H -0.06 0.27 -0.37 -0.55 8.37 7.66 1rvyA1 LEU 192 HA -0.15 0.15 0.81 -0.75 4.35 4.40 1rvyA1 LEU 192 HB2 0.01 0.06 0.13 -0.04 1.64 1.79 1rvyA1 LEU 192 HB3 0.02 -0.04 0.01 -0.04 1.64 1.59 1rvyA1 LEU 192 HG -0.02 0.03 -0.09 -0.04 1.64 1.52 1rvyA1 LEU 192 HD13 0.01 -0.03 -0.03 -0.04 0.93 0.83 1rvyA1 LEU 192 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.83 1rvyA1 PHE 193 H 0.06 0.45 0.08 -0.55 8.34 8.38 1rvyA1 PHE 193 HA -0.01 0.10 0.61 -0.75 4.62 4.57 1rvyA1 PHE 193 HB2 -0.02 -0.06 0.01 -0.04 3.15 3.04 1rvyA1 PHE 193 HB3 -0.01 -0.01 -0.03 -0.04 3.06 2.97 1rvyA1 PHE 193 HD2 0.02 -0.02 -0.13 -0.04 7.28 7.12 1rvyA1 PHE 193 HE2 0.03 -0.02 -0.12 -0.04 7.38 7.22 1rvyA1 PHE 193 HZ 0.03 0.05 -0.33 -0.04 7.32 7.04 1rvyA1 HIS 194 H -0.18 0.47 -0.07 -0.55 8.41 8.09 1rvyA1 HIS 194 HA -0.01 0.10 0.33 -0.75 4.63 4.29 1rvyA1 HIS 194 HB2 -0.15 0.12 0.01 -0.04 3.26 3.21 1rvyA1 HIS 194 HB3 -0.07 -0.01 0.13 -0.04 3.20 3.20 1rvyA1 HIS 194 HD2 -0.01 0.01 0.00 -0.04 6.97 6.93 1rvyA1 HIS 194 HE1 -0.00 -0.09 -0.02 -0.04 7.75 7.60 1rvyA1 PRO 195 HA -0.03 0.03 0.28 -0.51 4.44 4.22 1rvyA1 PRO 195 HB2 0.13 -0.05 -0.23 -0.04 2.28 2.08 1rvyA1 PRO 195 HB3 0.29 -0.02 -0.13 -0.04 2.02 2.11 1rvyA1 PRO 195 HG2 0.08 0.07 -0.09 -0.04 2.03 2.05 1rvyA1 PRO 195 HG3 0.13 -0.06 -0.07 -0.04 2.03 1.98 1rvyA1 PRO 195 HD2 0.07 0.21 0.17 -0.04 3.68 4.08 1rvyA1 PRO 195 HD3 0.17 -0.02 0.07 -0.04 3.65 3.83 1rvyA1 LYS 196 H 0.02 0.52 0.32 -0.55 8.42 8.73 1rvyA1 LYS 196 HA 0.02 0.21 0.74 -0.75 4.32 4.54 1rvyA1 LYS 196 HB2 0.03 0.05 0.20 -0.04 1.87 2.11 1rvyA1 LYS 196 HB3 0.06 0.03 0.17 -0.04 1.79 2.01 1rvyA1 LYS 196 HG2 -0.01 0.12 0.02 -0.04 1.46 1.55 1rvyA1 LYS 196 HG3 0.01 -0.19 0.19 -0.04 1.46 1.43 1rvyA1 LYS 196 HD2 0.02 0.01 0.11 -0.04 1.69 1.79 1rvyA1 LYS 196 HD3 0.00 -0.03 0.08 -0.04 1.68 1.69 1rvyA1 LYS 196 HE2 0.05 -0.01 0.15 -0.04 2.99 3.13 1rvyA1 LYS 196 HE3 0.06 0.01 0.21 -0.04 2.99 3.23 1rvyA1 LEU 197 H 0.06 0.19 0.12 -0.55 8.37 8.19 1rvyA1 LEU 197 HA 0.13 0.19 0.69 -0.75 4.35 4.61 1rvyA1 LEU 197 HB2 0.10 0.14 -0.22 -0.04 1.64 1.62 1rvyA1 LEU 197 HB3 0.01 -0.02 -0.01 -0.04 1.64 1.57 1rvyA1 LEU 197 HG 0.12 0.09 -0.12 -0.04 1.64 1.69 1rvyA1 LEU 197 HD13 0.07 -0.02 -0.17 -0.04 0.93 0.77 1rvyA1 LEU 197 HD23 0.06 -0.04 -0.35 -0.04 0.89 0.51 1rvyA1 ILE 198 H 0.13 0.70 0.29 -0.55 8.25 8.82 1rvyA1 ILE 198 HA 0.11 0.16 1.03 -0.75 4.18 4.73 1rvyA1 ILE 198 HB 0.12 0.00 0.06 -0.04 1.89 2.04 1rvyA1 ILE 198 HG12 0.13 -0.00 -0.12 -0.04 1.49 1.45 1rvyA1 ILE 198 HG13 0.11 0.01 -0.26 -0.04 1.21 1.03 1rvyA1 ILE 198 HG23 0.15 -0.02 -0.18 -0.04 0.93 0.84 1rvyA1 ILE 198 HD13 0.08 0.00 -0.19 -0.04 0.88 0.73 1rvyA1 ILE 199 H 0.08 0.72 0.40 -0.55 8.25 8.90 1rvyA1 ILE 199 HA 0.03 0.34 1.00 -0.75 4.18 4.80 1rvyA1 ILE 199 HB -0.17 -0.07 0.23 -0.04 1.89 1.83 1rvyA1 ILE 199 HG12 0.04 -0.00 -0.17 -0.04 1.49 1.31 1rvyA1 ILE 199 HG13 -0.01 0.11 -0.13 -0.04 1.21 1.14 1rvyA1 ILE 199 HG23 -0.57 -0.04 -0.21 -0.04 0.93 0.07 1rvyA1 ILE 199 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.69 1rvyA1 ALA 200 H 0.05 0.86 0.38 -0.55 8.40 9.14 1rvyA1 ALA 200 HA 0.13 0.10 0.85 -0.75 4.34 4.66 1rvyA1 ALA 200 HB3 0.26 -0.01 0.01 -0.04 1.41 1.63 1rvyA1 GLY 201 H 0.08 0.33 0.09 -0.55 8.43 8.39 1rvyA1 GLY 201 HA2 0.16 0.08 0.51 -0.51 4.01 4.25 1rvyA1 GLY 201 HA3 0.17 0.04 0.46 -0.51 4.01 4.17 1rvyA1 THR 202 H 0.15 0.24 0.23 -0.55 8.28 8.35 1rvyA1 THR 202 HA 0.10 0.20 1.01 -0.75 4.39 4.94 1rvyA1 THR 202 HB 0.05 0.08 0.01 -0.04 4.32 4.42 1rvyA1 THR 202 HG23 -0.07 -0.00 -0.26 -0.04 1.22 0.84 1rvyA1 SER 203 H -0.00 0.66 0.20 -0.55 8.46 8.77 1rvyA1 SER 203 HA -0.11 0.10 0.78 -0.75 4.49 4.51 1rvyA1 SER 203 HB2 0.02 0.17 -0.27 -0.04 3.95 3.83 1rvyA1 SER 203 HB3 0.03 0.02 -0.11 -0.04 3.93 3.83 1rvyA1 CYS 204 H -0.04 0.30 0.00 -0.55 8.50 8.22 1rvyA1 CYS 204 HA -0.15 0.09 0.46 -0.75 4.58 4.23 1rvyA1 CYS 204 HB2 -0.07 0.05 -0.25 -0.04 2.97 2.66 1rvyA1 CYS 204 HB3 -0.04 -0.00 0.06 -0.04 2.97 2.96 1rvyA1 TYR 205 H -0.01 0.24 -0.12 -0.55 8.29 7.85 1rvyA1 TYR 205 HA -0.10 0.18 0.77 -0.75 4.56 4.66 1rvyA1 TYR 205 HB2 -0.04 0.05 -0.15 -0.04 3.06 2.88 1rvyA1 TYR 205 HB3 -0.04 -0.04 0.07 -0.04 2.98 2.93 1rvyA1 TYR 205 HD2 -0.05 0.14 0.04 -0.04 7.15 7.25 1rvyA1 TYR 205 HE2 -0.03 0.21 -0.00 -0.04 6.85 6.99 1rvyA1 SER 206 H -0.35 0.24 0.10 -0.55 8.46 7.91 1rvyA1 SER 206 HA -0.18 0.07 0.54 -0.75 4.49 4.17 1rvyA1 SER 206 HB2 -0.18 0.01 0.37 -0.04 3.95 4.11 1rvyA1 SER 206 HB3 -0.19 -0.10 0.13 -0.04 3.93 3.72 1rvyA1 ARG 207 H -0.77 0.09 -0.37 -0.55 8.46 6.85 1rvyA1 ARG 207 HA -0.14 0.17 1.08 -0.75 4.34 4.70 1rvyA1 ARG 207 HB2 -0.61 -0.04 0.00 -0.04 1.90 1.22 1rvyA1 ARG 207 HB3 -0.02 0.04 0.08 -0.04 1.80 1.86 1rvyA1 ARG 207 HG2 -0.66 -0.08 -0.21 -0.04 1.67 0.68 1rvyA1 ARG 207 HG3 -0.82 0.02 -0.04 -0.04 1.67 0.78 1rvyA1 ARG 207 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.13 1rvyA1 ARG 207 HD3 -0.16 0.09 -0.17 -0.04 3.22 2.93 1rvyA1 ASN 208 H 0.02 0.13 0.14 -0.55 8.53 8.27 1rvyA1 ASN 208 HA 0.05 0.06 0.42 -0.75 4.76 4.54 1rvyA1 ASN 208 HB2 0.02 -0.03 0.03 -0.04 2.88 2.87 1rvyA1 ASN 208 HB3 0.01 0.05 0.09 -0.04 2.79 2.89 1rvyA1 ASN 208 HD21 0.02 0.13 0.10 -0.04 7.03 7.24 1rvyA1 ASN 208 HD22 0.03 -0.04 0.08 -0.04 7.74 7.76 1rvyA1 LEU 209 H -0.20 0.16 0.15 -0.55 8.37 7.93 1rvyA1 LEU 209 HA 0.08 0.16 0.76 -0.75 4.35 4.59 1rvyA1 LEU 209 HB2 -0.96 0.00 0.03 -0.04 1.64 0.67 1rvyA1 LEU 209 HB3 -0.26 -0.01 -0.09 -0.04 1.64 1.24 1rvyA1 LEU 209 HG 0.02 0.06 -0.08 -0.04 1.64 1.60 1rvyA1 LEU 209 HD13 0.06 -0.01 -0.18 -0.04 0.93 0.76 1rvyA1 LEU 209 HD23 -0.00 0.03 -0.11 -0.04 0.89 0.76 1rvyA1 ASP 210 H 0.10 0.18 0.05 -0.55 8.40 8.19 1rvyA1 ASP 210 HA -0.21 0.18 0.52 -0.75 4.63 4.37 1rvyA1 ASP 210 HB2 -0.62 0.10 0.13 -0.04 2.71 2.27 1rvyA1 ASP 210 HB3 -0.69 -0.04 0.24 -0.04 2.70 2.16 1rvyA1 TYR 211 H -0.34 0.61 0.02 -0.55 8.29 8.02 1rvyA1 TYR 211 HA -0.05 0.04 0.24 -0.75 4.56 4.05 1rvyA1 TYR 211 HB2 -0.20 0.03 0.07 -0.04 3.06 2.92 1rvyA1 TYR 211 HB3 -0.04 0.03 -0.03 -0.04 2.98 2.91 1rvyA1 TYR 211 HD2 0.03 0.03 -0.07 -0.04 7.15 7.11 1rvyA1 TYR 211 HE2 0.03 0.09 -0.09 -0.04 6.85 6.84 1rvyA1 GLY 212 H -0.41 0.10 -0.23 -0.55 8.43 7.34 1rvyA1 GLY 212 HA2 -0.39 0.16 0.34 -0.51 4.01 3.61 1rvyA1 GLY 212 HA3 -0.28 0.07 0.23 -0.51 4.01 3.51 1rvyA1 ARG 213 H -0.17 0.09 -0.28 -0.55 8.46 7.54 1rvyA1 ARG 213 HA -0.06 0.10 0.46 -0.75 4.34 4.07 1rvyA1 ARG 213 HB2 -0.27 -0.03 0.11 -0.04 1.90 1.67 1rvyA1 ARG 213 HB3 -0.22 0.08 0.18 -0.04 1.80 1.79 1rvyA1 ARG 213 HG2 -0.12 -0.07 -0.03 -0.04 1.67 1.40 1rvyA1 ARG 213 HG3 0.02 0.02 -0.21 -0.04 1.67 1.45 1rvyA1 ARG 213 HD2 -0.04 0.04 -0.00 -0.04 3.22 3.18 1rvyA1 ARG 213 HD3 -0.12 0.01 0.01 -0.04 3.22 3.08 1rvyA1 LEU 214 H 0.01 0.55 -0.02 -0.55 8.37 8.37 1rvyA1 LEU 214 HA 0.07 -0.02 0.25 -0.75 4.35 3.89 1rvyA1 LEU 214 HB2 0.12 0.07 -0.02 -0.04 1.64 1.78 1rvyA1 LEU 214 HB3 0.10 0.02 -0.09 -0.04 1.64 1.64 1rvyA1 LEU 214 HG 0.21 0.04 -0.05 -0.04 1.64 1.79 1rvyA1 LEU 214 HD13 0.10 -0.01 -0.18 -0.04 0.93 0.80 1rvyA1 LEU 214 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 1rvyA1 ARG 215 H 0.03 0.37 -0.61 -0.55 8.46 7.70 1rvyA1 ARG 215 HA 0.10 0.04 0.46 -0.75 4.34 4.18 1rvyA1 ARG 215 HB2 0.11 0.00 0.04 -0.04 1.90 2.01 1rvyA1 ARG 215 HB3 0.09 0.08 0.12 -0.04 1.80 2.05 1rvyA1 ARG 215 HG2 0.09 0.02 0.04 -0.04 1.67 1.78 1rvyA1 ARG 215 HG3 0.08 -0.04 -0.17 -0.04 1.67 1.49 1rvyA1 ARG 215 HD2 0.11 -0.09 0.09 -0.04 3.22 3.29 1rvyA1 ARG 215 HD3 0.01 -0.08 0.09 -0.04 3.22 3.20 1rvyA1 LYS 216 H 0.03 0.43 -0.04 -0.55 8.42 8.29 1rvyA1 LYS 216 HA 0.04 0.04 0.42 -0.75 4.32 4.07 1rvyA1 LYS 216 HB2 0.01 0.03 0.19 -0.04 1.87 2.06 1rvyA1 LYS 216 HB3 0.02 -0.04 0.04 -0.04 1.79 1.77 1rvyA1 LYS 216 HG2 0.03 -0.02 0.07 -0.04 1.46 1.49 1rvyA1 LYS 216 HG3 0.02 0.30 0.22 -0.04 1.46 1.95 1rvyA1 LYS 216 HD2 -0.01 -0.07 0.05 -0.04 1.69 1.61 1rvyA1 LYS 216 HD3 0.00 -0.01 0.01 -0.04 1.68 1.64 1rvyA1 LYS 216 HE2 -0.01 -0.02 -0.13 -0.04 2.99 2.78 1rvyA1 LYS 216 HE3 -0.02 -0.06 -0.04 -0.04 2.99 2.84 1rvyA1 ILE 217 H 0.04 0.41 -0.16 -0.55 8.25 7.99 1rvyA1 ILE 217 HA 0.03 0.04 0.34 -0.75 4.18 3.84 1rvyA1 ILE 217 HB 0.04 0.06 -0.00 -0.04 1.89 1.94 1rvyA1 ILE 217 HG12 0.02 0.01 -0.03 -0.04 1.49 1.45 1rvyA1 ILE 217 HG13 0.03 0.11 -0.09 -0.04 1.21 1.22 1rvyA1 ILE 217 HG23 0.02 0.00 -0.16 -0.04 0.93 0.75 1rvyA1 ILE 217 HD13 0.03 -0.04 -0.12 -0.04 0.88 0.72 1rvyA1 ALA 218 H 0.07 0.49 -0.27 -0.55 8.40 8.15 1rvyA1 ALA 218 HA 0.07 -0.00 0.33 -0.75 4.34 3.98 1rvyA1 ALA 218 HB3 0.15 0.05 -0.09 -0.04 1.41 1.47 1rvyA1 ASP 219 H 0.08 0.64 -0.02 -0.55 8.40 8.56 1rvyA1 ASP 219 HA 0.03 0.07 0.41 -0.75 4.63 4.39 1rvyA1 ASP 219 HB2 0.05 0.04 0.12 -0.04 2.71 2.88 1rvyA1 ASP 219 HB3 0.04 -0.05 0.05 -0.04 2.70 2.70 1rvyA1 GLU 220 H 0.03 0.43 -0.36 -0.55 8.60 8.16 1rvyA1 GLU 220 HA 0.02 -0.02 0.39 -0.75 4.29 3.92 1rvyA1 GLU 220 HB2 0.02 0.09 0.12 -0.04 2.09 2.28 1rvyA1 GLU 220 HB3 0.02 0.10 0.06 -0.04 1.99 2.13 1rvyA1 GLU 220 HG2 0.02 0.02 -0.01 -0.04 2.34 2.32 1rvyA1 GLU 220 HG3 0.01 -0.06 0.04 -0.04 2.34 2.29 1rvyA1 ASN 221 H 0.03 0.34 -0.26 -0.55 8.53 8.09 1rvyA1 ASN 221 HA 0.03 0.14 0.76 -0.75 4.76 4.93 1rvyA1 ASN 221 HB2 0.04 0.00 0.06 -0.04 2.88 2.94 1rvyA1 ASN 221 HB3 0.05 0.04 0.12 -0.04 2.79 2.96 1rvyA1 ASN 221 HD21 0.02 -0.12 -0.08 -0.04 7.03 6.81 1rvyA1 ASN 221 HD22 0.04 0.43 0.08 -0.04 7.74 8.25 1rvyA1 GLY 222 H -0.00 0.28 -0.53 -0.55 8.43 7.63 1rvyA1 GLY 222 HA2 -0.07 -0.02 0.30 -0.51 4.01 3.72 1rvyA1 GLY 222 HA3 -0.06 -0.02 0.39 -0.51 4.01 3.81 1rvyA1 ALA 223 H -0.01 0.33 -0.28 -0.55 8.40 7.89 1rvyA1 ALA 223 HA -0.09 0.23 0.62 -0.75 4.34 4.34 1rvyA1 ALA 223 HB3 0.04 0.04 -0.28 -0.04 1.41 1.17 1rvyA1 TYR 224 H 0.11 0.57 0.24 -0.55 8.29 8.66 1rvyA1 TYR 224 HA -0.22 0.11 0.65 -0.75 4.56 4.34 1rvyA1 TYR 224 HB2 -0.00 0.09 0.19 -0.04 3.06 3.29 1rvyA1 TYR 224 HB3 0.02 -0.12 -0.06 -0.04 2.98 2.77 1rvyA1 TYR 224 HD2 -0.20 0.05 0.05 -0.04 7.15 7.01 1rvyA1 TYR 224 HE2 -0.03 0.02 0.03 -0.04 6.85 6.83 1rvyA1 LEU 225 H 0.87 0.17 0.16 -0.55 8.37 9.02 1rvyA1 LEU 225 HA 0.20 0.27 0.96 -0.75 4.35 5.03 1rvyA1 LEU 225 HB2 0.22 0.10 -0.04 -0.04 1.64 1.88 1rvyA1 LEU 225 HB3 0.22 -0.04 0.23 -0.04 1.64 2.01 1rvyA1 LEU 225 HG 0.12 -0.10 -0.26 -0.04 1.64 1.36 1rvyA1 LEU 225 HD13 0.15 0.05 -0.17 -0.04 0.93 0.92 1rvyA1 LEU 225 HD23 0.11 0.03 -0.31 -0.04 0.89 0.67 1rvyA1 MET 226 H 0.13 0.65 0.22 -0.55 8.47 8.93 1rvyA1 MET 226 HA 0.10 0.19 0.98 -0.75 4.52 5.03 1rvyA1 MET 226 HB2 0.08 0.02 -0.10 -0.04 2.15 2.11 1rvyA1 MET 226 HB3 0.08 0.00 -0.01 -0.04 2.03 2.07 1rvyA1 MET 226 HG2 0.03 -0.00 -0.46 -0.04 2.63 2.16 1rvyA1 MET 226 HG3 0.03 -0.00 -0.16 -0.04 2.56 2.39 1rvyA1 MET 226 HE3 0.05 -0.03 -0.22 -0.04 2.10 1.86 1rvyA1 ALA 227 H -0.00 0.83 0.46 -0.55 8.40 9.14 1rvyA1 ALA 227 HA 0.06 0.20 1.02 -0.75 4.34 4.87 1rvyA1 ALA 227 HB3 -0.17 -0.01 0.15 -0.04 1.41 1.34 1rvyA1 ASP 228 H 0.07 0.76 0.25 -0.55 8.40 8.93 1rvyA1 ASP 228 HA 0.04 0.26 0.91 -0.75 4.63 5.08 1rvyA1 ASP 228 HB2 0.06 0.08 -0.16 -0.04 2.71 2.64 1rvyA1 ASP 228 HB3 0.17 -0.09 0.14 -0.04 2.70 2.88 1rvyA1 MET 229 H -0.00 0.60 0.11 -0.55 8.47 8.63 1rvyA1 MET 229 HA 0.10 0.13 0.80 -0.75 4.52 4.79 1rvyA1 MET 229 HB2 0.05 -0.07 0.08 -0.04 2.15 2.17 1rvyA1 MET 229 HB3 -0.03 0.05 0.02 -0.04 2.03 2.03 1rvyA1 MET 229 HG2 -0.06 0.19 -0.03 -0.04 2.63 2.69 1rvyA1 MET 229 HG3 0.03 -0.07 -0.11 -0.04 2.56 2.36 1rvyA1 MET 229 HE3 -0.20 0.03 -0.14 -0.04 2.10 1.75 1rvyA1 ALA 230 H 0.05 0.18 -0.41 -0.55 8.40 7.67 1rvyA1 ALA 230 HA -0.05 -0.03 0.43 -0.75 4.34 3.94 1rvyA1 ALA 230 HB3 -0.07 0.02 0.04 -0.04 1.41 1.36 1rvyA1 HIS 231 H 0.17 0.14 -0.19 -0.55 8.41 7.99 1rvyA1 HIS 231 HA -0.04 0.13 0.63 -0.75 4.63 4.60 1rvyA1 HIS 231 HB2 0.10 0.08 0.12 -0.04 3.26 3.53 1rvyA1 HIS 231 HB3 0.26 0.02 -0.08 -0.04 3.20 3.36 1rvyA1 HIS 231 HD2 0.01 -0.06 0.03 -0.04 6.97 6.91 1rvyA1 HIS 231 HE1 0.09 -0.15 -0.28 -0.04 7.75 7.37 1rvyA1 ILE 232 H 0.10 0.18 -0.17 -0.55 8.25 7.81 1rvyA1 ILE 232 HA -0.05 0.23 1.01 -0.75 4.18 4.61 1rvyA1 ILE 232 HB 0.10 0.01 0.13 -0.04 1.89 2.09 1rvyA1 ILE 232 HG12 0.13 -0.09 0.04 -0.04 1.49 1.52 1rvyA1 ILE 232 HG13 0.12 0.05 -0.20 -0.04 1.21 1.13 1rvyA1 ILE 232 HG23 0.21 -0.00 -0.14 -0.04 0.93 0.96 1rvyA1 ILE 232 HD13 0.18 0.02 -0.03 -0.04 0.88 1.02 1rvyA1 SER 233 H 0.04 0.33 -0.14 -0.55 8.46 8.13 1rvyA1 SER 233 HA 0.18 0.03 0.30 -0.75 4.49 4.25 1rvyA1 SER 233 HB2 0.21 0.07 -0.07 -0.04 3.95 4.13 1rvyA1 SER 233 HB3 0.08 0.01 0.03 -0.04 3.93 4.01 1rvyA1 GLY 234 H 0.08 -0.00 -0.48 -0.55 8.43 7.48 1rvyA1 GLY 234 HA2 0.27 0.14 0.36 -0.51 4.01 4.26 1rvyA1 GLY 234 HA3 0.23 0.40 0.07 -0.51 4.01 4.20 1rvyA1 LEU 235 H 0.04 0.01 -0.26 -0.55 8.37 7.61 1rvyA1 LEU 235 HA 0.01 0.07 0.40 -0.75 4.35 4.07 1rvyA1 LEU 235 HB2 0.04 0.04 0.19 -0.04 1.64 1.87 1rvyA1 LEU 235 HB3 0.04 -0.00 -0.07 -0.04 1.64 1.57 1rvyA1 LEU 235 HG -0.03 0.07 -0.01 -0.04 1.64 1.63 1rvyA1 LEU 235 HD13 -0.11 -0.01 0.02 -0.04 0.93 0.79 1rvyA1 LEU 235 HD23 0.08 -0.00 0.02 -0.04 0.89 0.95 1rvyA1 VAL 236 H 0.12 0.64 -0.06 -0.55 8.24 8.39 1rvyA1 VAL 236 HA 0.11 0.08 0.29 -0.75 4.13 3.85 1rvyA1 VAL 236 HB 0.35 0.15 0.05 -0.04 2.12 2.64 1rvyA1 VAL 236 HG13 0.24 -0.01 -0.03 -0.04 0.97 1.13 1rvyA1 VAL 236 HG23 0.13 0.10 -0.04 -0.04 0.95 1.10 1rvyA1 VAL 237 H 0.07 0.30 -0.39 -0.55 8.24 7.67 1rvyA1 VAL 237 HA -0.27 0.08 0.41 -0.75 4.13 3.60 1rvyA1 VAL 237 HB 0.03 0.09 0.17 -0.04 2.12 2.37 1rvyA1 VAL 237 HG13 -0.19 0.03 -0.16 -0.04 0.97 0.60 1rvyA1 VAL 237 HG23 -0.75 0.01 -0.04 -0.04 0.95 0.12 1rvyA1 ALA 238 H 0.09 0.36 -0.03 -0.55 8.40 8.28 1rvyA1 ALA 238 HA 0.06 0.09 0.53 -0.75 4.34 4.27 1rvyA1 ALA 238 HB3 0.05 -0.02 0.16 -0.04 1.41 1.57 1rvyA1 GLY 239 H 0.03 0.32 -0.65 -0.55 8.43 7.58 1rvyA1 GLY 239 HA2 0.03 0.08 0.30 -0.51 4.01 3.90 1rvyA1 GLY 239 HA3 0.01 0.05 0.46 -0.51 4.01 4.03 1rvyA1 VAL 240 H 0.02 0.33 -0.14 -0.55 8.24 7.90 1rvyA1 VAL 240 HA 0.01 0.15 0.57 -0.75 4.13 4.10 1rvyA1 VAL 240 HB -0.00 -0.06 0.01 -0.04 2.12 2.02 1rvyA1 VAL 240 HG13 -0.02 -0.01 -0.04 -0.04 0.97 0.86 1rvyA1 VAL 240 HG23 -0.03 0.00 -0.17 -0.04 0.95 0.72 1rvyA1 VAL 241 H 0.05 0.24 -0.21 -0.55 8.24 7.77 1rvyA1 VAL 241 HA 0.05 0.20 0.70 -0.75 4.13 4.33 1rvyA1 VAL 241 HB 0.09 -0.03 0.04 -0.04 2.12 2.17 1rvyA1 VAL 241 HG13 0.05 -0.00 -0.16 -0.04 0.97 0.81 1rvyA1 VAL 241 HG23 0.10 -0.02 -0.25 -0.04 0.95 0.73 1rvyA1 PRO 242 HA 0.10 0.07 0.43 -0.51 4.44 4.53 1rvyA1 PRO 242 HB2 0.18 -0.06 0.03 -0.04 2.28 2.39 1rvyA1 PRO 242 HB3 0.14 0.04 0.09 -0.04 2.02 2.24 1rvyA1 PRO 242 HG2 0.06 -0.03 0.07 -0.04 2.03 2.10 1rvyA1 PRO 242 HG3 0.07 0.10 0.06 -0.04 2.03 2.22 1rvyA1 PRO 242 HD2 0.09 -0.01 0.18 -0.04 3.68 3.89 1rvyA1 PRO 242 HD3 0.06 0.21 0.20 -0.04 3.65 4.07 1rvyA1 SER 243 H 0.11 0.13 0.20 -0.55 8.46 8.36 1rvyA1 SER 243 HA 0.11 0.16 0.62 -0.75 4.49 4.63 1rvyA1 SER 243 HB2 0.10 0.21 0.15 -0.04 3.95 4.38 1rvyA1 SER 243 HB3 0.09 -0.03 0.17 -0.04 3.93 4.11 1rvyA1 PRO 244 HA -0.85 0.06 0.56 -0.51 4.44 3.70 1rvyA1 PRO 244 HB2 -0.84 0.01 0.07 -0.04 2.28 1.48 1rvyA1 PRO 244 HB3 -0.94 0.00 0.07 -0.04 2.02 1.11 1rvyA1 PRO 244 HG2 -1.07 0.09 -0.08 -0.04 2.03 0.93 1rvyA1 PRO 244 HG3 -0.40 -0.02 0.01 -0.04 2.03 1.59 1rvyA1 PRO 244 HD2 -0.04 0.17 0.21 -0.04 3.68 3.97 1rvyA1 PRO 244 HD3 -0.03 0.20 0.20 -0.04 3.65 3.99 1rvyA1 PHE 245 H -0.08 0.15 -0.33 -0.55 8.34 7.53 1rvyA1 PHE 245 HA -0.11 0.12 0.39 -0.75 4.62 4.27 1rvyA1 PHE 245 HB2 -0.31 0.05 -0.04 -0.04 3.15 2.81 1rvyA1 PHE 245 HB3 -0.51 0.08 0.00 -0.04 3.06 2.60 1rvyA1 PHE 245 HD2 -1.56 0.03 -0.06 -0.04 7.28 5.64 1rvyA1 PHE 245 HE2 -1.09 -0.01 -0.08 -0.04 7.38 6.16 1rvyA1 PHE 245 HZ -1.64 -0.01 -0.11 -0.04 7.32 5.52 1rvyA1 GLU 246 H 0.03 0.13 -0.52 -0.55 8.60 7.69 1rvyA1 GLU 246 HA 0.01 0.16 0.40 -0.75 4.29 4.11 1rvyA1 GLU 246 HB2 0.01 0.03 0.07 -0.04 2.09 2.17 1rvyA1 GLU 246 HB3 -0.36 -0.07 -0.03 -0.04 1.99 1.49 1rvyA1 GLU 246 HG2 -0.30 0.04 0.02 -0.04 2.34 2.06 1rvyA1 GLU 246 HG3 -0.06 0.03 0.03 -0.04 2.34 2.30 1rvyA1 HIS 247 H 0.15 0.01 -0.18 -0.55 8.41 7.84 1rvyA1 HIS 247 HA 0.01 0.33 1.01 -0.75 4.63 5.23 1rvyA1 HIS 247 HB2 0.06 -0.04 -0.21 -0.04 3.26 3.02 1rvyA1 HIS 247 HB3 0.03 0.03 -0.01 -0.04 3.20 3.21 1rvyA1 HIS 247 HD2 0.04 0.08 -0.06 -0.04 6.97 6.98 1rvyA1 HIS 247 HE1 0.10 0.04 -0.04 -0.04 7.75 7.81 1rvyA1 CYS 248 H 0.02 0.18 0.01 -0.55 8.50 8.16 1rvyA1 CYS 248 HA -0.06 0.09 0.61 -0.75 4.58 4.47 1rvyA1 CYS 248 HB2 -0.09 0.06 0.01 -0.04 2.97 2.91 1rvyA1 CYS 248 HB3 0.01 0.07 0.16 -0.04 2.97 3.16 1rvyA1 HIS 249 H 0.10 0.40 0.38 -0.55 8.41 8.75 1rvyA1 HIS 249 HA -0.13 0.19 0.71 -0.75 4.63 4.66 1rvyA1 HIS 249 HB2 0.17 -0.04 0.11 -0.04 3.26 3.46 1rvyA1 HIS 249 HB3 0.10 -0.04 0.10 -0.04 3.20 3.32 1rvyA1 HIS 249 HD2 0.35 0.01 0.02 -0.04 6.97 7.30 1rvyA1 HIS 249 HE1 0.09 0.09 0.05 -0.04 7.75 7.94 1rvyA1 VAL 250 H 0.17 0.30 0.27 -0.55 8.24 8.43 1rvyA1 VAL 250 HA 0.33 0.32 0.87 -0.75 4.13 4.89 1rvyA1 VAL 250 HB 0.08 -0.11 0.01 -0.04 2.12 2.06 1rvyA1 VAL 250 HG13 0.09 0.05 -0.13 -0.04 0.97 0.94 1rvyA1 VAL 250 HG23 0.04 -0.02 -0.21 -0.04 0.95 0.73 1rvyA1 VAL 251 H 0.25 0.64 0.23 -0.55 8.24 8.81 1rvyA1 VAL 251 HA -0.09 0.18 1.04 -0.75 4.13 4.51 1rvyA1 VAL 251 HB -0.18 -0.00 0.06 -0.04 2.12 1.96 1rvyA1 VAL 251 HG13 -0.45 -0.02 -0.18 -0.04 0.97 0.28 1rvyA1 VAL 251 HG23 -0.96 -0.01 -0.32 -0.04 0.95 -0.38 1rvyA1 THR 252 H -0.00 0.73 0.41 -0.55 8.28 8.88 1rvyA1 THR 252 HA 0.02 0.32 1.09 -0.75 4.39 5.07 1rvyA1 THR 252 HB -0.02 -0.02 0.05 -0.04 4.32 4.29 1rvyA1 THR 252 HG23 -0.03 0.01 -0.13 -0.04 1.22 1.03 1rvyA1 THR 253 H -0.01 0.55 0.34 -0.55 8.28 8.61 1rvyA1 THR 253 HA -0.00 -0.14 0.47 -0.75 4.39 3.97 1rvyA1 THR 253 HB 0.04 0.03 -0.32 -0.04 4.32 4.03 1rvyA1 THR 253 HG23 0.08 0.04 -0.24 -0.04 1.22 1.06 1rvyA1 THR 254 H -0.07 0.03 0.17 -0.55 8.28 7.87 1rvyA1 THR 254 HA -0.01 0.18 0.75 -0.75 4.39 4.55 1rvyA1 THR 254 HB -0.61 -0.10 0.15 -0.04 4.32 3.72 1rvyA1 THR 254 HG23 -0.10 -0.04 0.06 -0.04 1.22 1.10 1rvyA1 THR 255 H 0.14 0.23 0.17 -0.55 8.28 8.28 1rvyA1 THR 255 HA 0.04 0.26 0.83 -0.75 4.39 4.77 1rvyA1 THR 255 HB 0.05 -0.00 -0.03 -0.04 4.32 4.29 1rvyA1 THR 255 HG23 0.02 0.00 -0.43 -0.04 1.22 0.77 1rvyA1 HIS 256 H -0.04 -0.13 -0.08 -0.55 8.41 7.61 1rvyA1 HIS 256 HA 0.01 0.08 0.62 -0.75 4.63 4.58 1rvyA1 HIS 256 HB2 -0.03 -0.09 0.12 -0.04 3.26 3.22 1rvyA1 HIS 256 HB3 -0.01 0.17 -0.31 -0.04 3.20 3.00 1rvyA1 HIS 256 HD2 -0.04 0.13 0.03 -0.04 6.97 7.04 1rvyA1 HIS 256 HE1 -0.01 -0.11 0.13 -0.04 7.75 7.71 1rvyA1 LYS 257 H 0.12 0.18 0.03 -0.55 8.42 8.20 1rvyA1 LYS 257 HA -0.07 0.28 0.18 -0.75 4.32 3.96 1rvyA1 LYS 257 HB2 -0.24 0.17 0.12 -0.04 1.87 1.88 1rvyA1 LYS 257 HB3 -0.29 0.05 0.20 -0.04 1.79 1.71 1rvyA1 LYS 257 HG2 -0.20 0.00 0.07 -0.04 1.46 1.29 1rvyA1 LYS 257 HG3 -0.70 -0.21 -0.31 -0.04 1.46 0.20 1rvyA1 LYS 257 HD2 -0.38 0.00 -0.22 -0.04 1.69 1.04 1rvyA1 LYS 257 HD3 -0.63 0.00 -0.06 -0.04 1.68 0.95 1rvyA1 LYS 257 HE2 -0.13 0.07 -0.01 -0.04 2.99 2.88 1rvyA1 LYS 257 HE3 -0.30 0.00 -0.04 -0.04 2.99 2.61 1rvyA1 THR 258 H -0.15 0.19 0.20 -0.55 8.28 7.97 1rvyA1 THR 258 HA 0.02 0.19 0.45 -0.75 4.39 4.29 1rvyA1 THR 258 HB -0.07 -0.02 0.12 -0.04 4.32 4.30 1rvyA1 THR 258 HG23 -0.42 0.02 0.15 -0.04 1.22 0.93 1rvyA1 LEU 259 H 0.04 0.46 -0.44 -0.55 8.37 7.88 1rvyA1 LEU 259 HA 0.28 0.14 0.60 -0.75 4.35 4.61 1rvyA1 LEU 259 HB2 0.10 -0.16 -0.15 -0.04 1.64 1.38 1rvyA1 LEU 259 HB3 0.06 0.15 -0.28 -0.04 1.64 1.53 1rvyA1 LEU 259 HG 0.03 0.02 -0.11 -0.04 1.64 1.54 1rvyA1 LEU 259 HD13 -0.02 0.02 -0.07 -0.04 0.93 0.82 1rvyA1 LEU 259 HD23 0.13 -0.03 -0.10 -0.04 0.89 0.85 1rvyA1 ARG 260 H 0.09 0.12 -0.71 -0.55 8.46 7.42 1rvyA1 ARG 260 HA 0.08 -0.03 0.10 -0.75 4.34 3.74 1rvyA1 ARG 260 HB2 0.16 0.02 -0.35 -0.04 1.90 1.70 1rvyA1 ARG 260 HB3 0.18 0.10 -0.07 -0.04 1.80 1.97 1rvyA1 ARG 260 HG2 0.06 -0.14 0.12 -0.04 1.67 1.67 1rvyA1 ARG 260 HG3 0.05 -0.14 -0.14 -0.04 1.67 1.40 1rvyA1 ARG 260 HD2 -0.04 0.14 0.10 -0.04 3.22 3.38 1rvyA1 ARG 260 HD3 -0.10 -0.03 -0.02 -0.04 3.22 3.04 1rvyA1 GLY 261 H 0.09 0.24 0.00 -0.55 8.43 8.21 1rvyA1 GLY 261 HA2 0.04 0.11 0.86 -0.51 4.01 4.52 1rvyA1 GLY 261 HA3 0.04 0.08 0.26 -0.51 4.01 3.88 1rvyA1 CYS 262 H 0.03 0.12 -0.08 -0.55 8.50 8.02 1rvyA1 CYS 262 HA 0.00 0.11 0.49 -0.75 4.58 4.43 1rvyA1 CYS 262 HB2 -0.02 0.00 0.05 -0.04 2.97 2.96 1rvyA1 CYS 262 HB3 0.01 0.01 -0.02 -0.04 2.97 2.92 1rvyA1 ARG 263 H -0.10 0.14 0.09 -0.55 8.46 8.04 1rvyA1 ARG 263 HA -0.24 -0.08 0.52 -0.75 4.34 3.78 1rvyA1 ARG 263 HB2 -0.16 0.03 0.20 -0.04 1.90 1.94 1rvyA1 ARG 263 HB3 -0.22 0.01 0.07 -0.04 1.80 1.62 1rvyA1 ARG 263 HG2 -1.09 -0.07 0.05 -0.04 1.67 0.53 1rvyA1 ARG 263 HG3 -0.47 0.00 0.02 -0.04 1.67 1.19 1rvyA1 ARG 263 HD2 -0.15 0.04 0.05 -0.04 3.22 3.12 1rvyA1 ARG 263 HD3 -0.19 -0.02 0.03 -0.04 3.22 3.01 1rvyA1 ALA 264 H 0.17 0.09 0.31 -0.55 8.40 8.42 1rvyA1 ALA 264 HA 0.02 0.35 0.06 -0.75 4.34 4.02 1rvyA1 ALA 264 HB3 -0.00 0.07 -0.17 -0.04 1.41 1.27 1rvyA1 GLY 265 H -0.01 0.61 -0.10 -0.55 8.43 8.38 1rvyA1 GLY 265 HA2 0.00 0.11 0.64 -0.51 4.01 4.25 1rvyA1 GLY 265 HA3 -0.00 -0.01 0.05 -0.51 4.01 3.54 1rvyA1 MET 266 H -0.06 0.52 0.27 -0.55 8.47 8.65 1rvyA1 MET 266 HA -0.13 0.31 0.95 -0.75 4.52 4.90 1rvyA1 MET 266 HB2 -0.26 -0.05 -0.10 -0.04 2.15 1.71 1rvyA1 MET 266 HB3 -0.49 0.03 -0.06 -0.04 2.03 1.46 1rvyA1 MET 266 HG2 -0.13 0.07 -0.15 -0.04 2.63 2.38 1rvyA1 MET 266 HG3 -0.07 -0.14 -0.59 -0.04 2.56 1.72 1rvyA1 MET 266 HE3 -0.08 0.00 -0.16 -0.04 2.10 1.82 1rvyA1 ILE 267 H -0.18 0.54 0.27 -0.55 8.25 8.33 1rvyA1 ILE 267 HA -0.03 0.18 1.04 -0.75 4.18 4.62 1rvyA1 ILE 267 HB 0.03 -0.07 0.16 -0.04 1.89 1.97 1rvyA1 ILE 267 HG12 -0.04 0.01 -0.15 -0.04 1.49 1.27 1rvyA1 ILE 267 HG13 -0.05 -0.09 -0.36 -0.04 1.21 0.67 1rvyA1 ILE 267 HG23 0.07 0.01 -0.17 -0.04 0.93 0.80 1rvyA1 ILE 267 HD13 -0.04 0.00 -0.02 -0.04 0.88 0.78 1rvyA1 PHE 268 H 0.16 0.77 0.30 -0.55 8.34 9.02 1rvyA1 PHE 268 HA -0.02 0.21 0.90 -0.75 4.62 4.96 1rvyA1 PHE 268 HB2 0.11 -0.05 0.20 -0.04 3.15 3.37 1rvyA1 PHE 268 HB3 0.15 0.07 -0.02 -0.04 3.06 3.22 1rvyA1 PHE 268 HD2 -0.11 0.08 -0.11 -0.04 7.28 7.11 1rvyA1 PHE 268 HE2 -0.22 -0.03 -0.31 -0.04 7.38 6.77 1rvyA1 PHE 268 HZ -0.08 0.07 -0.14 -0.04 7.32 7.13 1rvyA1 TYR 269 H -0.12 0.58 0.29 -0.55 8.29 8.49 1rvyA1 TYR 269 HA 0.20 0.25 0.96 -0.75 4.56 5.21 1rvyA1 TYR 269 HB2 -0.04 0.01 -0.04 -0.04 3.06 2.95 1rvyA1 TYR 269 HB3 0.04 -0.01 -0.25 -0.04 2.98 2.72 1rvyA1 TYR 269 HD2 -0.00 0.15 -0.38 -0.04 7.15 6.88 1rvyA1 TYR 269 HE2 -0.02 -0.00 -0.21 -0.04 6.85 6.58 1rvyA1 ARG 270 H -0.29 0.35 0.28 -0.55 8.46 8.25 1rvyA1 ARG 270 HA -0.91 0.26 0.79 -0.75 4.34 3.73 1rvyA1 ARG 270 HB2 -1.19 -0.14 0.15 -0.04 1.90 0.69 1rvyA1 ARG 270 HB3 -1.05 0.15 0.18 -0.04 1.80 1.04 1rvyA1 ARG 270 HG2 -2.93 -0.08 0.01 -0.04 1.67 -1.37 1rvyA1 ARG 270 HG3 -0.83 0.14 0.22 -0.04 1.67 1.16 1rvyA1 ARG 270 HD2 -0.63 0.14 0.03 -0.04 3.22 2.72 1rvyA1 ARG 270 HD3 -0.54 -0.08 0.05 -0.04 3.22 2.62 1rvyA1 ARG 271 H -0.35 0.63 0.06 -0.55 8.46 8.25 1rvyA1 ARG 271 HA 0.06 0.06 0.68 -0.75 4.34 4.39 1rvyA1 ARG 271 HB2 -0.01 0.03 -0.45 -0.04 1.90 1.42 1rvyA1 ARG 271 HB3 0.05 -0.09 0.04 -0.04 1.80 1.76 1rvyA1 ARG 271 HG2 0.15 -0.07 -0.12 -0.04 1.67 1.59 1rvyA1 ARG 271 HG3 0.11 -0.01 -0.55 -0.04 1.67 1.17 1rvyA1 ARG 271 HD2 0.05 0.14 -0.41 -0.04 3.22 2.96 1rvyA1 ARG 271 HD3 0.06 -0.01 -0.11 -0.04 3.22 3.12 1rvyA1 GLY 272 H 0.08 0.06 0.16 -0.55 8.43 8.18 1rvyA1 GLY 272 HA2 0.05 -0.01 0.39 -0.51 4.01 3.93 1rvyA1 GLY 272 HA3 0.06 0.17 0.65 -0.51 4.01 4.39 1rvyA1 VAL 273 H 0.04 0.15 0.22 -0.55 8.24 8.10 1rvyA1 VAL 273 HA -0.09 0.13 0.86 -0.75 4.13 4.28 1rvyA1 VAL 273 HB -0.01 0.02 0.11 -0.04 2.12 2.20 1rvyA1 VAL 273 HG13 -0.06 0.03 0.01 -0.04 0.97 0.91 1rvyA1 VAL 273 HG23 -0.01 -0.00 0.02 -0.04 0.95 0.91 1rvyA1 ARG 274 H -0.33 0.40 0.21 -0.55 8.46 8.18 1rvyA1 ARG 274 HA -0.43 0.18 0.65 -0.75 4.34 3.99 1rvyA1 ARG 274 HB2 -1.69 -0.04 -0.24 -0.04 1.90 -0.10 1rvyA1 ARG 274 HB3 -0.46 0.02 -0.13 -0.04 1.80 1.19 1rvyA1 ARG 274 HG2 -0.16 0.00 -0.11 -0.04 1.67 1.36 1rvyA1 ARG 274 HG3 -0.18 -0.00 0.01 -0.04 1.67 1.45 1rvyA1 ARG 274 HD2 -0.28 -0.06 -0.05 -0.04 3.22 2.79 1rvyA1 ARG 274 HD3 -0.21 0.03 -0.06 -0.04 3.22 2.93 1rvyA1 SER 275 H -0.15 0.21 0.08 -0.55 8.46 8.05 1rvyA1 SER 275 HA -0.05 0.15 0.25 -0.75 4.49 4.08 1rvyA1 SER 275 HB2 -0.06 0.23 -0.08 -0.04 3.95 4.00 1rvyA1 SER 275 HB3 -0.08 -0.03 -0.06 -0.04 3.93 3.71 1rvyA1 GLU 283 HA -0.03 0.05 13.19 -0.75 4.29 16.74 1rvyA1 GLU 283 HB2 -0.02 -0.03 0.17 -0.04 2.09 2.16 1rvyA1 GLU 283 HB3 -0.02 -0.04 -0.06 -0.04 1.99 1.83 1rvyA1 GLU 283 HG2 -0.04 0.06 -0.24 -0.04 2.34 2.08 1rvyA1 GLU 283 HG3 -0.03 -0.05 0.09 -0.04 2.34 2.32 1rvyA1 ILE 284 H -0.07 0.30 -0.07 -0.55 8.25 7.87 1rvyA1 ILE 284 HA -0.06 0.19 0.89 -0.75 4.18 4.44 1rvyA1 ILE 284 HB -0.11 0.05 0.05 -0.04 1.89 1.85 1rvyA1 ILE 284 HG12 -0.07 0.35 0.19 -0.04 1.49 1.91 1rvyA1 ILE 284 HG13 -0.14 -0.32 0.04 -0.04 1.21 0.75 1rvyA1 ILE 284 HG23 -0.05 0.01 -0.08 -0.04 0.93 0.77 1rvyA1 ILE 284 HD13 -0.08 0.01 -0.04 -0.04 0.88 0.72 1rvyA1 LEU 285 H -0.07 0.17 0.12 -0.55 8.37 8.04 1rvyA1 LEU 285 HA -0.14 0.11 1.06 -0.75 4.35 4.62 1rvyA1 LEU 285 HB2 -0.02 0.00 -0.02 -0.04 1.64 1.56 1rvyA1 LEU 285 HB3 0.00 0.06 0.18 -0.04 1.64 1.84 1rvyA1 LEU 285 HG -0.03 -0.03 -0.21 -0.04 1.64 1.33 1rvyA1 LEU 285 HD13 -0.00 -0.00 -0.05 -0.04 0.93 0.84 1rvyA1 LEU 285 HD23 -0.02 0.01 -0.23 -0.04 0.89 0.61 1rvyA1 TYR 286 H 0.09 0.41 0.21 -0.55 8.29 8.44 1rvyA1 TYR 286 HA 0.03 0.17 0.84 -0.75 4.56 4.85 1rvyA1 TYR 286 HB2 -0.01 -0.01 -0.11 -0.04 3.06 2.89 1rvyA1 TYR 286 HB3 0.02 -0.10 -0.07 -0.04 2.98 2.78 1rvyA1 TYR 286 HD2 0.02 0.00 -0.39 -0.04 7.15 6.75 1rvyA1 TYR 286 HE2 0.09 0.10 -0.12 -0.04 6.85 6.88 1rvyA1 ASN 287 H 0.16 0.24 0.12 -0.55 8.53 8.50 1rvyA1 ASN 287 HA 0.03 0.19 0.88 -0.75 4.76 5.10 1rvyA1 ASN 287 HB2 0.03 0.04 -0.07 -0.04 2.88 2.84 1rvyA1 ASN 287 HB3 0.05 0.08 0.03 -0.04 2.79 2.91 1rvyA1 ASN 287 HD21 -0.00 -0.01 0.02 -0.04 7.03 7.00 1rvyA1 ASN 287 HD22 0.01 0.07 0.01 -0.04 7.74 7.79 1rvyA1 LEU 288 H 0.08 0.13 -0.08 -0.55 8.37 7.96 1rvyA1 LEU 288 HA -0.12 0.11 0.35 -0.75 4.35 3.93 1rvyA1 LEU 288 HB2 -0.03 0.14 0.05 -0.04 1.64 1.76 1rvyA1 LEU 288 HB3 -0.12 -0.00 -0.02 -0.04 1.64 1.46 1rvyA1 LEU 288 HG 0.13 -0.13 0.09 -0.04 1.64 1.69 1rvyA1 LEU 288 HD13 -0.09 0.06 0.07 -0.04 0.93 0.92 1rvyA1 LEU 288 HD23 -0.28 0.02 -0.02 -0.04 0.89 0.56 1rvyA1 GLU 289 H -0.12 0.19 -0.22 -0.55 8.60 7.90 1rvyA1 GLU 289 HA -1.19 0.04 0.24 -0.75 4.29 2.62 1rvyA1 GLU 289 HB2 0.03 0.09 0.01 -0.04 2.09 2.18 1rvyA1 GLU 289 HB3 -0.08 -0.06 0.05 -0.04 1.99 1.86 1rvyA1 GLU 289 HG2 -0.08 0.00 -0.17 -0.04 2.34 2.05 1rvyA1 GLU 289 HG3 -0.19 -0.04 -0.14 -0.04 2.34 1.93 1rvyA1 SER 290 H -0.12 0.15 -0.11 -0.55 8.46 7.84 1rvyA1 SER 290 HA -0.15 0.03 0.39 -0.75 4.49 4.01 1rvyA1 SER 290 HB2 -0.06 0.03 0.02 -0.04 3.95 3.91 1rvyA1 SER 290 HB3 -0.06 -0.01 0.08 -0.04 3.93 3.89 1rvyA1 LEU 291 H -0.12 0.28 -0.24 -0.55 8.37 7.75 1rvyA1 LEU 291 HA -0.07 0.04 0.37 -0.75 4.35 3.94 1rvyA1 LEU 291 HB2 -0.12 0.02 0.12 -0.04 1.64 1.61 1rvyA1 LEU 291 HB3 -0.08 0.12 -0.04 -0.04 1.64 1.60 1rvyA1 LEU 291 HG -0.05 0.00 0.08 -0.04 1.64 1.63 1rvyA1 LEU 291 HD13 -0.03 -0.00 -0.10 -0.04 0.93 0.76 1rvyA1 LEU 291 HD23 -0.03 0.02 0.02 -0.04 0.89 0.87 1rvyA1 ILE 292 H -0.22 0.70 -0.06 -0.55 8.25 8.12 1rvyA1 ILE 292 HA -0.11 0.04 0.36 -0.75 4.18 3.73 1rvyA1 ILE 292 HB -0.40 0.14 0.03 -0.04 1.89 1.62 1rvyA1 ILE 292 HG12 -0.12 -0.04 -0.06 -0.04 1.49 1.22 1rvyA1 ILE 292 HG13 -0.19 0.08 -0.01 -0.04 1.21 1.05 1rvyA1 ILE 292 HG23 -0.07 -0.03 -0.25 -0.04 0.93 0.54 1rvyA1 ILE 292 HD13 -0.07 -0.03 -0.15 -0.04 0.88 0.59 1rvyA1 ASN 293 H -0.24 0.64 -0.07 -0.55 8.53 8.31 1rvyA1 ASN 293 HA -0.07 -0.07 0.44 -0.75 4.76 4.30 1rvyA1 ASN 293 HB2 -0.26 0.06 0.12 -0.04 2.88 2.76 1rvyA1 ASN 293 HB3 -0.53 0.00 -0.03 -0.04 2.79 2.19 1rvyA1 ASN 293 HD21 -0.18 -0.06 -0.09 -0.04 7.03 6.66 1rvyA1 ASN 293 HD22 -0.28 -0.02 -0.15 -0.04 7.74 7.25 1rvyA1 SER 294 H -0.07 0.73 -0.08 -0.55 8.46 8.49 1rvyA1 SER 294 HA 0.05 0.24 0.46 -0.75 4.49 4.49 1rvyA1 SER 294 HB2 -0.03 0.14 0.12 -0.04 3.95 4.13 1rvyA1 SER 294 HB3 -0.02 -0.07 -0.03 -0.04 3.93 3.76 1rvyA1 ALA 295 H -0.03 0.46 -0.31 -0.55 8.40 7.97 1rvyA1 ALA 295 HA -0.01 0.03 0.39 -0.75 4.34 4.00 1rvyA1 ALA 295 HB3 -0.02 0.02 0.00 -0.04 1.41 1.38 1rvyA1 VAL 296 H 0.05 0.50 -0.17 -0.55 8.24 8.07 1rvyA1 VAL 296 HA 0.02 -0.04 0.48 -0.75 4.13 3.84 1rvyA1 VAL 296 HB 0.20 0.17 0.16 -0.04 2.12 2.61 1rvyA1 VAL 296 HG13 -0.01 -0.05 -0.17 -0.04 0.97 0.70 1rvyA1 VAL 296 HG23 0.01 0.02 -0.01 -0.04 0.95 0.93 1rvyA1 PHE 297 H 0.21 0.72 -0.06 -0.55 8.34 8.65 1rvyA1 PHE 297 HA -0.03 0.10 0.57 -0.75 4.62 4.51 1rvyA1 PHE 297 HB2 -0.15 0.00 -0.24 -0.04 3.15 2.72 1rvyA1 PHE 297 HB3 -0.12 0.00 -0.00 -0.04 3.06 2.90 1rvyA1 PHE 297 HD2 -0.11 0.22 -0.11 -0.04 7.28 7.23 1rvyA1 PHE 297 HE2 -0.41 -0.01 -0.05 -0.04 7.38 6.87 1rvyA1 PHE 297 HZ -0.83 -0.04 -0.06 -0.04 7.32 6.35 1rvyA1 PRO 298 HA -1.67 0.09 0.27 -0.51 4.44 2.63 1rvyA1 PRO 298 HB2 -0.42 0.03 0.13 -0.04 2.28 1.97 1rvyA1 PRO 298 HB3 -0.97 -0.05 0.09 -0.04 2.02 1.04 1rvyA1 PRO 298 HG2 -0.19 0.08 -0.12 -0.04 2.03 1.75 1rvyA1 PRO 298 HG3 -0.15 -0.03 0.05 -0.04 2.03 1.85 1rvyA1 PRO 298 HD2 -0.11 0.16 0.24 -0.04 3.68 3.93 1rvyA1 PRO 298 HD3 -0.16 0.01 0.30 -0.04 3.65 3.76 1rvyA1 GLY 299 H -0.12 0.31 -0.31 -0.55 8.43 7.76 1rvyA1 GLY 299 HA2 -0.07 -0.02 0.37 -0.51 4.01 3.78 1rvyA1 GLY 299 HA3 -0.03 0.11 0.34 -0.51 4.01 3.92 1rvyA1 LEU 300 H 0.02 0.41 -0.01 -0.55 8.37 8.24 1rvyA1 LEU 300 HA 0.02 0.19 0.93 -0.75 4.35 4.73 1rvyA1 LEU 300 HB2 0.04 0.04 0.18 -0.04 1.64 1.86 1rvyA1 LEU 300 HB3 0.04 -0.16 -0.02 -0.04 1.64 1.46 1rvyA1 LEU 300 HG 0.08 0.04 -0.18 -0.04 1.64 1.54 1rvyA1 LEU 300 HD13 0.16 0.02 -0.14 -0.04 0.93 0.92 1rvyA1 LEU 300 HD23 0.19 -0.03 -0.05 -0.04 0.89 0.95 1rvyA1 GLN 301 H 0.06 0.81 0.26 -0.55 8.47 9.05 1rvyA1 GLN 301 HA 0.11 0.16 1.00 -0.75 4.36 4.87 1rvyA1 GLN 301 HB2 -0.11 0.10 -0.01 -0.04 2.15 2.09 1rvyA1 GLN 301 HB3 -0.19 -0.10 0.03 -0.04 2.02 1.72 1rvyA1 GLN 301 HG2 -0.23 -0.01 -0.10 -0.04 2.40 2.03 1rvyA1 GLN 301 HG3 -0.17 0.00 -0.12 -0.04 2.39 2.06 1rvyA1 GLN 301 HE21 -0.85 0.32 -0.18 -0.04 6.97 6.22 1rvyA1 GLN 301 HE22 -0.59 0.10 -0.14 -0.04 7.69 7.03 1rvyA1 GLY 302 H 0.24 0.07 -0.01 -0.55 8.43 8.19 1rvyA1 GLY 302 HA2 0.28 0.23 0.82 -0.51 4.01 4.83 1rvyA1 GLY 302 HA3 0.20 -0.04 0.38 -0.51 4.01 4.03 1rvyA1 GLY 303 H 0.21 0.10 0.14 -0.55 8.43 8.34 1rvyA1 GLY 303 HA2 -0.19 -0.00 0.45 -0.51 4.01 3.75 1rvyA1 GLY 303 HA3 -0.32 0.00 0.38 -0.51 4.01 3.56 1rvyA1 PRO 304 HA 0.19 0.11 0.51 -0.51 4.44 4.74 1rvyA1 PRO 304 HB2 -0.05 -0.01 -0.08 -0.04 2.28 2.10 1rvyA1 PRO 304 HB3 -0.15 0.08 0.07 -0.04 2.02 1.97 1rvyA1 PRO 304 HG2 -0.11 -0.06 0.00 -0.04 2.03 1.82 1rvyA1 PRO 304 HG3 -0.22 0.17 -0.02 -0.04 2.03 1.92 1rvyA1 PRO 304 HD2 -0.24 -0.22 -0.08 -0.04 3.68 3.09 1rvyA1 PRO 304 HD3 -0.37 0.26 0.11 -0.04 3.65 3.60 1rvyA1 HIS 305 H 0.28 0.22 0.10 -0.55 8.41 8.47 1rvyA1 HIS 305 HA 0.04 0.20 0.65 -0.75 4.63 4.77 1rvyA1 HIS 305 HB2 -0.10 0.04 0.26 -0.04 3.26 3.42 1rvyA1 HIS 305 HB3 -0.43 -0.10 0.15 -0.04 3.20 2.78 1rvyA1 HIS 305 HD2 -0.17 -0.01 0.07 -0.04 6.97 6.81 1rvyA1 HIS 305 HE1 -0.52 0.02 0.01 -0.04 7.75 7.21 1rvyA1 ASN 306 H 0.08 0.51 0.07 -0.55 8.53 8.65 1rvyA1 ASN 306 HA 0.02 0.03 0.28 -0.75 4.76 4.34 1rvyA1 ASN 306 HB2 0.06 0.34 0.14 -0.04 2.88 3.38 1rvyA1 ASN 306 HB3 0.04 -0.11 0.03 -0.04 2.79 2.71 1rvyA1 ASN 306 HD21 -0.03 -0.08 -0.09 -0.04 7.03 6.79 1rvyA1 ASN 306 HD22 -0.00 0.23 0.04 -0.04 7.74 7.96 1rvyA1 HIS 307 H 0.57 0.22 -0.35 -0.55 8.41 8.31 1rvyA1 HIS 307 HA 0.00 0.05 0.36 -0.75 4.63 4.28 1rvyA1 HIS 307 HB2 -0.00 0.07 0.03 -0.04 3.26 3.32 1rvyA1 HIS 307 HB3 -0.01 -0.04 -0.10 -0.04 3.20 3.01 1rvyA1 HIS 307 HD2 -0.01 0.07 0.02 -0.04 6.97 7.00 1rvyA1 HIS 307 HE1 -0.28 0.05 0.05 -0.04 7.75 7.53 1rvyA1 ALA 308 H -0.58 0.26 -0.24 -0.55 8.40 7.30 1rvyA1 ALA 308 HA -0.12 0.01 0.41 -0.75 4.34 3.89 1rvyA1 ALA 308 HB3 -0.17 0.07 0.08 -0.04 1.41 1.35 1rvyA1 ILE 309 H -0.05 0.29 -0.32 -0.55 8.25 7.62 1rvyA1 ILE 309 HA -0.02 0.11 0.44 -0.75 4.18 3.96 1rvyA1 ILE 309 HB 0.00 0.07 0.07 -0.04 1.89 1.99 1rvyA1 ILE 309 HG12 -0.02 0.24 0.02 -0.04 1.49 1.69 1rvyA1 ILE 309 HG13 -0.02 0.08 -0.07 -0.04 1.21 1.16 1rvyA1 ILE 309 HG23 -0.00 -0.02 -0.14 -0.04 0.93 0.73 1rvyA1 ILE 309 HD13 -0.02 -0.04 -0.13 -0.04 0.88 0.64 1rvyA1 ALA 310 H 0.01 0.49 -0.21 -0.55 8.40 8.15 1rvyA1 ALA 310 HA 0.01 0.03 0.45 -0.75 4.34 4.07 1rvyA1 ALA 310 HB3 0.03 0.03 0.07 -0.04 1.41 1.50 1rvyA1 GLY 311 H 0.00 0.51 -0.25 -0.55 8.43 8.15 1rvyA1 GLY 311 HA2 0.01 0.02 0.42 -0.51 4.01 3.95 1rvyA1 GLY 311 HA3 0.01 0.07 0.29 -0.51 4.01 3.86 1rvyA1 VAL 312 H -0.01 0.40 -0.44 -0.55 8.24 7.65 1rvyA1 VAL 312 HA 0.01 0.01 0.44 -0.75 4.13 3.83 1rvyA1 VAL 312 HB -0.01 0.13 0.09 -0.04 2.12 2.30 1rvyA1 VAL 312 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.75 1rvyA1 VAL 312 HG23 -0.00 0.13 -0.07 -0.04 0.95 0.97 1rvyA1 ALA 313 H -0.00 0.56 -0.13 -0.55 8.40 8.28 1rvyA1 ALA 313 HA -0.01 0.05 0.35 -0.75 4.34 3.97 1rvyA1 ALA 313 HB3 -0.00 0.04 0.09 -0.04 1.41 1.49 1rvyA1 VAL 314 H -0.00 0.54 -0.26 -0.55 8.24 7.97 1rvyA1 VAL 314 HA -0.02 0.01 0.38 -0.75 4.13 3.74 1rvyA1 VAL 314 HB 0.00 0.14 0.08 -0.04 2.12 2.30 1rvyA1 VAL 314 HG13 -0.00 -0.04 -0.23 -0.04 0.97 0.66 1rvyA1 VAL 314 HG23 0.00 0.07 -0.03 -0.04 0.95 0.95 1rvyA1 ALA 315 H -0.01 0.40 -0.31 -0.55 8.40 7.93 1rvyA1 ALA 315 HA -0.04 -0.03 0.43 -0.75 4.34 3.95 1rvyA1 ALA 315 HB3 -0.01 0.05 0.11 -0.04 1.41 1.52 1rvyA1 LEU 316 H -0.04 0.52 -0.20 -0.55 8.37 8.11 1rvyA1 LEU 316 HA -0.15 0.07 0.42 -0.75 4.35 3.94 1rvyA1 LEU 316 HB2 -0.03 0.06 0.05 -0.04 1.64 1.67 1rvyA1 LEU 316 HB3 -0.05 0.04 -0.10 -0.04 1.64 1.49 1rvyA1 LEU 316 HG -0.01 0.13 -0.08 -0.04 1.64 1.64 1rvyA1 LEU 316 HD13 0.04 -0.02 -0.21 -0.04 0.93 0.70 1rvyA1 LEU 316 HD23 0.02 0.00 -0.11 -0.04 0.89 0.76 1rvyA1 LYS 317 H -0.06 0.43 -0.20 -0.55 8.42 8.04 1rvyA1 LYS 317 HA -0.06 0.06 0.46 -0.75 4.32 4.02 1rvyA1 LYS 317 HB2 -0.03 0.02 0.11 -0.04 1.87 1.92 1rvyA1 LYS 317 HB3 -0.04 0.07 0.18 -0.04 1.79 1.96 1rvyA1 LYS 317 HG2 -0.03 -0.02 -0.17 -0.04 1.46 1.20 1rvyA1 LYS 317 HG3 -0.03 -0.00 0.02 -0.04 1.46 1.41 1rvyA1 LYS 317 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 1rvyA1 LYS 317 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.60 1rvyA1 LYS 317 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.92 1rvyA1 LYS 317 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 1rvyA1 GLN 318 H -0.08 0.52 -0.08 -0.55 8.47 8.29 1rvyA1 GLN 318 HA -0.04 -0.05 0.39 -0.75 4.36 3.91 1rvyA1 GLN 318 HB2 -0.07 0.18 0.18 -0.04 2.15 2.40 1rvyA1 GLN 318 HB3 -0.00 -0.05 0.06 -0.04 2.02 1.99 1rvyA1 GLN 318 HG2 -0.01 -0.07 0.06 -0.04 2.40 2.35 1rvyA1 GLN 318 HG3 -0.02 0.15 0.12 -0.04 2.39 2.59 1rvyA1 GLN 318 HE21 0.01 -0.26 0.03 -0.04 6.97 6.71 1rvyA1 GLN 318 HE22 -0.00 0.03 0.01 -0.04 7.69 7.69 1rvyA1 ALA 319 H -0.31 0.40 -0.34 -0.55 8.40 7.62 1rvyA1 ALA 319 HA -1.79 -0.02 0.43 -0.75 4.34 2.20 1rvyA1 ALA 319 HB3 -0.63 0.03 0.10 -0.04 1.41 0.87 1rvyA1 MET 320 H -0.19 0.39 -0.39 -0.55 8.47 7.73 1rvyA1 MET 320 HA -0.12 0.19 0.72 -0.75 4.52 4.56 1rvyA1 MET 320 HB2 -0.08 0.06 0.12 -0.04 2.15 2.20 1rvyA1 MET 320 HB3 -0.08 -0.08 0.16 -0.04 2.03 1.99 1rvyA1 MET 320 HG2 -0.16 0.04 0.04 -0.04 2.63 2.51 1rvyA1 MET 320 HG3 -0.16 0.28 0.10 -0.04 2.56 2.75 1rvyA1 MET 320 HE3 -0.06 -0.01 -0.03 -0.04 2.10 1.96 1rvyA1 THR 321 H -0.03 0.35 -0.34 -0.55 8.28 7.70 1rvyA1 THR 321 HA 0.01 0.16 0.64 -0.75 4.39 4.44 1rvyA1 THR 321 HB 0.03 -0.08 0.18 -0.04 4.32 4.42 1rvyA1 THR 321 HG23 -0.01 0.04 0.09 -0.04 1.22 1.31 1rvyA1 PRO 322 HA 0.05 0.16 0.52 -0.51 4.44 4.67 1rvyA1 PRO 322 HB2 0.03 0.02 0.04 -0.04 2.28 2.33 1rvyA1 PRO 322 HB3 0.02 0.09 0.14 -0.04 2.02 2.23 1rvyA1 PRO 322 HG2 0.03 -0.05 0.13 -0.04 2.03 2.10 1rvyA1 PRO 322 HG3 0.02 0.07 0.11 -0.04 2.03 2.19 1rvyA1 PRO 322 HD2 0.02 0.06 0.29 -0.04 3.68 4.01 1rvyA1 PRO 322 HD3 0.02 0.23 0.23 -0.04 3.65 4.09 1rvyA1 GLU 323 H 0.06 0.14 -0.14 -0.55 8.60 8.12 1rvyA1 GLU 323 HA 0.06 0.07 0.38 -0.75 4.29 4.05 1rvyA1 GLU 323 HB2 0.08 0.01 0.07 -0.04 2.09 2.20 1rvyA1 GLU 323 HB3 0.06 0.06 0.01 -0.04 1.99 2.08 1rvyA1 GLU 323 HG2 0.03 0.03 0.04 -0.04 2.34 2.41 1rvyA1 GLU 323 HG3 0.04 0.02 0.04 -0.04 2.34 2.40 1rvyA1 PHE 324 H 0.22 0.17 -0.30 -0.55 8.34 7.87 1rvyA1 PHE 324 HA 0.11 0.02 0.44 -0.75 4.62 4.44 1rvyA1 PHE 324 HB2 0.01 0.13 0.16 -0.04 3.15 3.40 1rvyA1 PHE 324 HB3 0.02 0.24 0.12 -0.04 3.06 3.40 1rvyA1 PHE 324 HD2 0.00 0.02 -0.11 -0.04 7.28 7.15 1rvyA1 PHE 324 HE2 0.02 0.05 -0.04 -0.04 7.38 7.37 1rvyA1 PHE 324 HZ 0.08 -0.00 0.09 -0.04 7.32 7.44 1rvyA1 LYS 325 H 0.22 0.53 -0.11 -0.55 8.42 8.50 1rvyA1 LYS 325 HA 0.12 0.02 0.39 -0.75 4.32 4.10 1rvyA1 LYS 325 HB2 0.09 0.11 0.21 -0.04 1.87 2.24 1rvyA1 LYS 325 HB3 0.05 0.03 0.14 -0.04 1.79 1.97 1rvyA1 LYS 325 HG2 0.03 -0.07 0.05 -0.04 1.46 1.43 1rvyA1 LYS 325 HG3 0.04 0.00 0.13 -0.04 1.46 1.58 1rvyA1 LYS 325 HD2 0.02 0.09 0.09 -0.04 1.69 1.86 1rvyA1 LYS 325 HD3 0.10 -0.03 0.07 -0.04 1.68 1.77 1rvyA1 LYS 325 HE2 0.05 0.08 -0.20 -0.04 2.99 2.88 1rvyA1 LYS 325 HE3 0.02 -0.11 -0.04 -0.04 2.99 2.82 1rvyA1 GLU 326 H 0.06 0.66 -0.25 -0.55 8.60 8.52 1rvyA1 GLU 326 HA -0.00 -0.02 0.47 -0.75 4.29 3.99 1rvyA1 GLU 326 HB2 0.03 -0.02 0.09 -0.04 2.09 2.14 1rvyA1 GLU 326 HB3 0.05 0.11 0.17 -0.04 1.99 2.27 1rvyA1 GLU 326 HG2 0.03 -0.03 -0.02 -0.04 2.34 2.28 1rvyA1 GLU 326 HG3 0.03 0.02 -0.25 -0.04 2.34 2.11 1rvyA1 TYR 327 H 0.08 0.63 -0.04 -0.55 8.29 8.41 1rvyA1 TYR 327 HA -0.07 -0.02 0.39 -0.75 4.56 4.10 1rvyA1 TYR 327 HB2 -0.11 -0.01 0.16 -0.04 3.06 3.05 1rvyA1 TYR 327 HB3 -0.35 0.19 0.32 -0.04 2.98 3.10 1rvyA1 TYR 327 HD2 -0.52 0.05 -0.05 -0.04 7.15 6.59 1rvyA1 TYR 327 HE2 -0.12 0.00 -0.15 -0.04 6.85 6.54 1rvyA1 GLN 328 H -0.24 0.69 -0.22 -0.55 8.47 8.15 1rvyA1 GLN 328 HA -0.58 -0.06 0.41 -0.75 4.36 3.38 1rvyA1 GLN 328 HB2 -0.24 0.20 0.10 -0.04 2.15 2.17 1rvyA1 GLN 328 HB3 -0.12 0.03 0.04 -0.04 2.02 1.92 1rvyA1 GLN 328 HG2 -0.05 0.16 -0.22 -0.04 2.40 2.25 1rvyA1 GLN 328 HG3 -0.15 -0.15 -0.05 -0.04 2.39 2.01 1rvyA1 GLN 328 HE21 -0.21 0.08 -0.03 -0.04 6.97 6.77 1rvyA1 GLN 328 HE22 -0.72 0.12 -0.07 -0.04 7.69 6.98 1rvyA1 ARG 329 H -0.10 0.50 -0.02 -0.55 8.46 8.28 1rvyA1 ARG 329 HA -0.07 -0.01 0.37 -0.75 4.34 3.87 1rvyA1 ARG 329 HB2 -0.04 0.14 0.19 -0.04 1.90 2.14 1rvyA1 ARG 329 HB3 -0.04 -0.09 0.06 -0.04 1.80 1.69 1rvyA1 ARG 329 HG2 -0.03 -0.03 0.07 -0.04 1.67 1.64 1rvyA1 ARG 329 HG3 -0.03 0.27 0.14 -0.04 1.67 2.01 1rvyA1 ARG 329 HD2 -0.01 -0.04 0.03 -0.04 3.22 3.16 1rvyA1 ARG 329 HD3 -0.01 -0.06 0.03 -0.04 3.22 3.13 1rvyA1 GLN 330 H -0.12 0.61 -0.31 -0.55 8.47 8.10 1rvyA1 GLN 330 HA -0.06 -0.08 0.41 -0.75 4.36 3.87 1rvyA1 GLN 330 HB2 -0.02 0.01 0.09 -0.04 2.15 2.19 1rvyA1 GLN 330 HB3 -0.10 0.27 0.18 -0.04 2.02 2.32 1rvyA1 GLN 330 HG2 0.05 0.07 0.01 -0.04 2.40 2.49 1rvyA1 GLN 330 HG3 0.01 -0.01 -0.10 -0.04 2.39 2.25 1rvyA1 GLN 330 HE21 0.05 -0.22 0.10 -0.04 6.97 6.85 1rvyA1 GLN 330 HE22 0.07 0.10 0.09 -0.04 7.69 7.90 1rvyA1 VAL 331 H -0.34 0.60 -0.00 -0.55 8.24 7.95 1rvyA1 VAL 331 HA -0.19 0.00 0.35 -0.75 4.13 3.53 1rvyA1 VAL 331 HB -0.31 0.14 0.20 -0.04 2.12 2.11 1rvyA1 VAL 331 HG13 -0.12 -0.05 -0.17 -0.04 0.97 0.59 1rvyA1 VAL 331 HG23 -0.85 0.13 0.02 -0.04 0.95 0.22 1rvyA1 VAL 332 H -0.14 0.59 -0.13 -0.55 8.24 8.01 1rvyA1 VAL 332 HA -0.09 0.04 0.29 -0.75 4.13 3.62 1rvyA1 VAL 332 HB -0.07 0.14 0.10 -0.04 2.12 2.25 1rvyA1 VAL 332 HG13 -0.05 0.00 -0.20 -0.04 0.97 0.68 1rvyA1 VAL 332 HG23 -0.03 -0.02 -0.10 -0.04 0.95 0.76 1rvyA1 ALA 333 H -0.10 0.56 -0.15 -0.55 8.40 8.16 1rvyA1 ALA 333 HA -0.07 0.00 0.48 -0.75 4.34 4.00 1rvyA1 ALA 333 HB3 -0.05 0.02 0.12 -0.04 1.41 1.46 1rvyA1 ASN 334 H -0.16 0.80 -0.10 -0.55 8.53 8.53 1rvyA1 ASN 334 HA -0.21 -0.11 0.34 -0.75 4.76 4.04 1rvyA1 ASN 334 HB2 -0.41 0.22 0.16 -0.04 2.88 2.81 1rvyA1 ASN 334 HB3 -1.57 -0.09 -0.10 -0.04 2.79 0.99 1rvyA1 ASN 334 HD21 0.12 0.18 -0.05 -0.04 7.03 7.23 1rvyA1 ASN 334 HD22 -0.04 -0.04 -0.16 -0.04 7.74 7.47 1rvyA1 CYS 335 H -0.27 0.57 -0.17 -0.55 8.50 8.08 1rvyA1 CYS 335 HA -0.28 -0.05 0.22 -0.75 4.58 3.72 1rvyA1 CYS 335 HB2 -0.15 -0.01 0.09 -0.04 2.97 2.85 1rvyA1 CYS 335 HB3 -0.13 0.28 0.14 -0.04 2.97 3.22 1rvyA1 ARG 336 H -0.12 0.53 -0.20 -0.55 8.46 8.12 1rvyA1 ARG 336 HA -0.07 -0.03 0.40 -0.75 4.34 3.89 1rvyA1 ARG 336 HB2 -0.06 0.14 0.22 -0.04 1.90 2.16 1rvyA1 ARG 336 HB3 -0.04 -0.06 -0.01 -0.04 1.80 1.65 1rvyA1 ARG 336 HG2 -0.04 -0.07 0.08 -0.04 1.67 1.60 1rvyA1 ARG 336 HG3 -0.06 0.11 0.06 -0.04 1.67 1.74 1rvyA1 ARG 336 HD2 -0.04 0.01 0.01 -0.04 3.22 3.17 1rvyA1 ARG 336 HD3 -0.03 -0.06 0.03 -0.04 3.22 3.12 1rvyA1 ALA 337 H -0.08 0.63 -0.05 -0.55 8.40 8.36 1rvyA1 ALA 337 HA -0.01 -0.03 0.41 -0.75 4.34 3.96 1rvyA1 ALA 337 HB3 0.00 0.02 0.12 -0.04 1.41 1.51 1rvyA1 LEU 338 H -0.11 0.75 -0.18 -0.55 8.37 8.27 1rvyA1 LEU 338 HA 0.06 -0.01 0.29 -0.75 4.35 3.94 1rvyA1 LEU 338 HB2 -0.05 -0.02 -0.04 -0.04 1.64 1.50 1rvyA1 LEU 338 HB3 -0.12 0.17 0.06 -0.04 1.64 1.71 1rvyA1 LEU 338 HG -0.01 -0.03 -0.36 -0.04 1.64 1.20 1rvyA1 LEU 338 HD13 0.16 -0.01 -0.04 -0.04 0.93 0.99 1rvyA1 LEU 338 HD23 0.06 -0.01 -0.17 -0.04 0.89 0.73 1rvyA1 SER 339 H -0.07 0.74 -0.14 -0.55 8.46 8.45 1rvyA1 SER 339 HA -0.04 -0.05 0.31 -0.75 4.49 3.95 1rvyA1 SER 339 HB2 -0.07 0.01 0.01 -0.04 3.95 3.87 1rvyA1 SER 339 HB3 -0.05 0.17 0.19 -0.04 3.93 4.20 1rvyA1 ALA 340 H -0.03 0.73 -0.06 -0.55 8.40 8.50 1rvyA1 ALA 340 HA -0.01 0.01 0.46 -0.75 4.34 4.05 1rvyA1 ALA 340 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 1rvyA1 ALA 341 H 0.00 0.69 -0.11 -0.55 8.40 8.44 1rvyA1 ALA 341 HA 0.00 -0.01 0.38 -0.75 4.34 3.96 1rvyA1 ALA 341 HB3 0.02 0.03 0.11 -0.04 1.41 1.53 1rvyA1 LEU 342 H -0.03 0.51 -0.27 -0.55 8.37 8.04 1rvyA1 LEU 342 HA -0.05 0.06 0.47 -0.75 4.35 4.07 1rvyA1 LEU 342 HB2 -0.05 0.13 0.05 -0.04 1.64 1.73 1rvyA1 LEU 342 HB3 -0.08 -0.09 -0.12 -0.04 1.64 1.30 1rvyA1 LEU 342 HG -0.10 0.04 -0.03 -0.04 1.64 1.51 1rvyA1 LEU 342 HD13 -0.13 -0.02 -0.15 -0.04 0.93 0.59 1rvyA1 LEU 342 HD23 -0.52 -0.01 -0.06 -0.04 0.89 0.26 1rvyA1 VAL 343 H 0.00 0.50 -0.17 -0.55 8.24 8.02 1rvyA1 VAL 343 HA 0.04 0.22 0.48 -0.75 4.13 4.12 1rvyA1 VAL 343 HB -0.00 0.11 0.25 -0.04 2.12 2.45 1rvyA1 VAL 343 HG13 -0.00 -0.02 -0.08 -0.04 0.97 0.83 1rvyA1 VAL 343 HG23 -0.00 0.11 0.07 -0.04 0.95 1.09 1rvyA1 GLU 344 H -0.01 0.65 -0.06 -0.55 8.60 8.64 1rvyA1 GLU 344 HA -0.02 0.00 0.40 -0.75 4.29 3.92 1rvyA1 GLU 344 HB2 -0.01 0.03 0.12 -0.04 2.09 2.19 1rvyA1 GLU 344 HB3 -0.02 0.15 0.09 -0.04 1.99 2.16 1rvyA1 GLU 344 HG2 -0.02 0.01 -0.06 -0.04 2.34 2.23 1rvyA1 GLU 344 HG3 -0.01 -0.04 0.07 -0.04 2.34 2.32 1rvyA1 LEU 345 H -0.02 0.24 -0.53 -0.55 8.37 7.52 1rvyA1 LEU 345 HA -0.14 0.05 0.54 -0.75 4.35 4.04 1rvyA1 LEU 345 HB2 0.03 0.04 0.12 -0.04 1.64 1.79 1rvyA1 LEU 345 HB3 -0.33 -0.07 0.12 -0.04 1.64 1.33 1rvyA1 LEU 345 HG -0.23 0.16 0.02 -0.04 1.64 1.54 1rvyA1 LEU 345 HD13 -0.48 -0.04 -0.10 -0.04 0.93 0.27 1rvyA1 LEU 345 HD23 -0.40 -0.01 -0.00 -0.04 0.89 0.43 1rvyA1 GLY 346 H -0.02 0.51 -0.70 -0.55 8.43 7.67 1rvyA1 GLY 346 HA2 -0.06 -0.00 0.29 -0.51 4.01 3.72 1rvyA1 GLY 346 HA3 -0.14 0.05 0.57 -0.51 4.01 3.98 1rvyA1 TYR 347 H 0.16 0.59 0.04 -0.55 8.29 8.53 1rvyA1 TYR 347 HA -0.01 0.10 0.62 -0.75 4.56 4.51 1rvyA1 TYR 347 HB2 -0.03 0.06 -0.20 -0.04 3.06 2.85 1rvyA1 TYR 347 HB3 -0.02 -0.10 -0.19 -0.04 2.98 2.63 1rvyA1 TYR 347 HD2 -0.04 0.05 -0.15 -0.04 7.15 6.97 1rvyA1 TYR 347 HE2 -0.05 -0.03 -0.09 -0.04 6.85 6.64 1rvyA1 LYS 348 H 0.08 0.18 0.12 -0.55 8.42 8.25 1rvyA1 LYS 348 HA 0.02 0.17 0.77 -0.75 4.32 4.52 1rvyA1 LYS 348 HB2 -0.00 0.10 0.07 -0.04 1.87 2.00 1rvyA1 LYS 348 HB3 0.02 0.04 0.25 -0.04 1.79 2.06 1rvyA1 LYS 348 HG2 0.00 -0.04 0.00 -0.04 1.46 1.38 1rvyA1 LYS 348 HG3 0.00 -0.14 -0.25 -0.04 1.46 1.04 1rvyA1 LYS 348 HD2 0.00 0.02 0.05 -0.04 1.69 1.73 1rvyA1 LYS 348 HD3 -0.00 0.06 0.02 -0.04 1.68 1.71 1rvyA1 LYS 348 HE2 0.00 -0.00 -0.03 -0.04 2.99 2.92 1rvyA1 LYS 348 HE3 -0.00 -0.13 -0.16 -0.04 2.99 2.66 1rvyA1 ILE 349 H 0.01 0.27 0.13 -0.55 8.25 8.11 1rvyA1 ILE 349 HA -0.01 0.16 0.87 -0.75 4.18 4.45 1rvyA1 ILE 349 HB -0.02 0.04 -0.11 -0.04 1.89 1.75 1rvyA1 ILE 349 HG12 0.01 0.07 -0.22 -0.04 1.49 1.31 1rvyA1 ILE 349 HG13 -0.02 0.08 -0.14 -0.04 1.21 1.08 1rvyA1 ILE 349 HG23 -0.06 -0.00 -0.31 -0.04 0.93 0.51 1rvyA1 ILE 349 HD13 -0.02 -0.01 -0.29 -0.04 0.88 0.53 1rvyA1 VAL 350 H -0.04 0.56 0.30 -0.55 8.24 8.51 1rvyA1 VAL 350 HA -0.04 -0.04 0.43 -0.75 4.13 3.73 1rvyA1 VAL 350 HB -0.08 -0.01 0.26 -0.04 2.12 2.25 1rvyA1 VAL 350 HG13 -0.07 0.01 -0.06 -0.04 0.97 0.81 1rvyA1 VAL 350 HG23 -0.02 0.02 0.10 -0.04 0.95 1.01 1rvyA1 THR 351 H -0.04 0.12 0.20 -0.55 8.28 8.01 1rvyA1 THR 351 HA -0.03 0.16 0.36 -0.75 4.39 4.12 1rvyA1 THR 351 HB -0.54 -0.03 0.20 -0.04 4.32 3.92 1rvyA1 THR 351 HG23 -0.39 -0.04 -0.27 -0.04 1.22 0.48 1rvyA1 GLY 352 H -0.04 0.54 0.02 -0.55 8.43 8.40 1rvyA1 GLY 352 HA2 -0.01 0.01 0.42 -0.51 4.01 3.91 1rvyA1 GLY 352 HA3 -0.00 0.03 0.40 -0.51 4.01 3.93 1rvyA1 GLY 353 H -0.08 0.28 -0.62 -0.55 8.43 7.47 1rvyA1 GLY 353 HA2 -0.05 0.04 0.34 -0.51 4.01 3.83 1rvyA1 GLY 353 HA3 -0.04 0.05 0.32 -0.51 4.01 3.83 1rvyA1 SER 354 H -0.06 0.28 0.19 -0.55 8.46 8.31 1rvyA1 SER 354 HA -0.13 0.20 0.86 -0.75 4.49 4.66 1rvyA1 SER 354 HB2 -0.12 0.06 -0.04 -0.04 3.95 3.81 1rvyA1 SER 354 HB3 -0.09 -0.00 -0.07 -0.04 3.93 3.72 1rvyA1 ASP 355 H -0.09 0.72 0.42 -0.55 8.40 8.91 1rvyA1 ASP 355 HA -0.03 0.21 0.93 -0.75 4.63 4.98 1rvyA1 ASP 355 HB2 -0.03 -0.05 0.14 -0.04 2.71 2.73 1rvyA1 ASP 355 HB3 0.00 0.02 0.20 -0.04 2.70 2.88 1rvyA1 ASN 356 H -0.06 0.05 0.05 -0.55 8.53 8.02 1rvyA1 ASN 356 HA 0.02 0.32 0.88 -0.75 4.76 5.23 1rvyA1 ASN 356 HB2 0.29 -0.20 0.20 -0.04 2.88 3.14 1rvyA1 ASN 356 HB3 0.09 0.10 -0.16 -0.04 2.79 2.78 1rvyA1 ASN 356 HD21 -0.04 0.23 0.00 -0.04 7.03 7.18 1rvyA1 ASN 356 HD22 0.06 0.00 -0.23 -0.04 7.74 7.53 1rvyA1 HIS 357 H 0.35 0.12 0.12 -0.55 8.41 8.45 1rvyA1 HIS 357 HA -0.09 0.24 0.56 -0.75 4.63 4.59 1rvyA1 HIS 357 HB2 -0.04 -0.07 0.21 -0.04 3.26 3.32 1rvyA1 HIS 357 HB3 -0.04 0.03 0.09 -0.04 3.20 3.23 1rvyA1 HIS 357 HD2 0.08 0.03 0.05 -0.04 6.97 7.07 1rvyA1 HIS 357 HE1 0.15 -0.10 -0.16 -0.04 7.75 7.60 1rvyA1 LEU 358 H -0.31 0.08 -0.16 -0.55 8.37 7.43 1rvyA1 LEU 358 HA -0.17 0.38 1.04 -0.75 4.35 4.85 1rvyA1 LEU 358 HB2 -0.19 0.05 0.02 -0.04 1.64 1.48 1rvyA1 LEU 358 HB3 -0.45 -0.04 -0.20 -0.04 1.64 0.91 1rvyA1 LEU 358 HG -0.44 -0.08 -0.13 -0.04 1.64 0.96 1rvyA1 LEU 358 HD13 -0.17 -0.02 -0.63 -0.04 0.93 0.07 1rvyA1 LEU 358 HD23 -0.35 -0.01 -0.18 -0.04 0.89 0.30 1rvyA1 ILE 359 H -0.11 0.60 0.36 -0.55 8.25 8.55 1rvyA1 ILE 359 HA -0.12 0.14 0.74 -0.75 4.18 4.18 1rvyA1 ILE 359 HB -0.07 -0.01 -0.13 -0.04 1.89 1.63 1rvyA1 ILE 359 HG12 -0.08 0.05 -0.07 -0.04 1.49 1.35 1rvyA1 ILE 359 HG13 -0.06 -0.07 -0.08 -0.04 1.21 0.95 1rvyA1 ILE 359 HG23 -0.10 0.02 -0.32 -0.04 0.93 0.50 1rvyA1 ILE 359 HD13 -0.06 0.02 -0.20 -0.04 0.88 0.60 1rvyA1 LEU 360 H -0.09 0.24 0.11 -0.55 8.37 8.08 1rvyA1 LEU 360 HA -0.05 0.27 0.88 -0.75 4.35 4.70 1rvyA1 LEU 360 HB2 -0.06 0.02 -0.02 -0.04 1.64 1.54 1rvyA1 LEU 360 HB3 -0.07 -0.03 0.24 -0.04 1.64 1.74 1rvyA1 LEU 360 HG -0.03 -0.13 -0.24 -0.04 1.64 1.20 1rvyA1 LEU 360 HD13 -0.03 0.08 -0.22 -0.04 0.93 0.73 1rvyA1 LEU 360 HD23 -0.03 0.02 0.01 -0.04 0.89 0.85 1rvyA1 VAL 361 H -0.03 0.76 0.27 -0.55 8.24 8.69 1rvyA1 VAL 361 HA 0.00 0.18 0.83 -0.75 4.13 4.39 1rvyA1 VAL 361 HB -0.02 -0.06 0.13 -0.04 2.12 2.13 1rvyA1 VAL 361 HG13 0.04 0.01 -0.28 -0.04 0.97 0.70 1rvyA1 VAL 361 HG23 -0.06 0.03 -0.18 -0.04 0.95 0.70 1rvyA1 ASP 362 H 0.02 0.54 0.34 -0.55 8.40 8.75 1rvyA1 ASP 362 HA 0.01 -0.05 0.39 -0.75 4.63 4.23 1rvyA1 ASP 362 HB2 0.00 -0.01 0.11 -0.04 2.71 2.76 1rvyA1 ASP 362 HB3 0.02 0.11 0.23 -0.04 2.70 3.02 1rvyA1 LEU 363 H 0.03 0.62 0.34 -0.55 8.37 8.81 1rvyA1 LEU 363 HA 0.11 0.13 0.38 -0.75 4.35 4.20 1rvyA1 LEU 363 HB2 0.02 0.15 0.03 -0.04 1.64 1.80 1rvyA1 LEU 363 HB3 0.05 -0.06 -0.10 -0.04 1.64 1.49 1rvyA1 LEU 363 HG 0.06 0.10 -0.03 -0.04 1.64 1.73 1rvyA1 LEU 363 HD13 0.04 -0.03 -0.27 -0.04 0.93 0.63 1rvyA1 LEU 363 HD23 0.23 0.01 -0.15 -0.04 0.89 0.94 1rvyA1 ARG 364 H 0.01 0.00 -0.39 -0.55 8.46 7.53 1rvyA1 ARG 364 HA -0.01 0.16 0.54 -0.75 4.34 4.28 1rvyA1 ARG 364 HB2 -0.00 -0.05 0.10 -0.04 1.90 1.91 1rvyA1 ARG 364 HB3 -0.01 0.07 0.00 -0.04 1.80 1.82 1rvyA1 ARG 364 HG2 -0.01 0.07 0.11 -0.04 1.67 1.80 1rvyA1 ARG 364 HG3 -0.01 -0.07 0.13 -0.04 1.67 1.68 1rvyA1 ARG 364 HD2 -0.01 0.07 0.04 -0.04 3.22 3.29 1rvyA1 ARG 364 HD3 -0.01 -0.03 0.08 -0.04 3.22 3.22 1rvyA1 SER 365 H -0.00 0.25 -0.20 -0.55 8.46 7.96 1rvyA1 SER 365 HA -0.04 0.07 0.42 -0.75 4.49 4.19 1rvyA1 SER 365 HB2 -0.07 0.16 0.23 -0.04 3.95 4.23 1rvyA1 SER 365 HB3 -0.02 -0.09 0.15 -0.04 3.93 3.92 1rvyA1 LYS 366 H -0.03 0.18 -0.94 -0.55 8.42 7.07 1rvyA1 LYS 366 HA -0.08 0.18 0.64 -0.75 4.32 4.30 1rvyA1 LYS 366 HB2 0.01 0.00 -0.05 -0.04 1.87 1.78 1rvyA1 LYS 366 HB3 -0.03 -0.01 0.08 -0.04 1.79 1.79 1rvyA1 LYS 366 HG2 -0.27 -0.10 -0.51 -0.04 1.46 0.53 1rvyA1 LYS 366 HG3 -0.31 -0.07 -0.14 -0.04 1.46 0.90 1rvyA1 LYS 366 HD2 -0.20 -0.07 0.00 -0.04 1.69 1.38 1rvyA1 LYS 366 HD3 -0.20 0.18 0.20 -0.04 1.68 1.81 1rvyA1 LYS 366 HE2 -0.67 0.12 -0.29 -0.04 2.99 2.10 1rvyA1 LYS 366 HE3 -1.55 -0.10 -0.19 -0.04 2.99 1.11 1rvyA1 GLY 367 H -0.03 0.40 0.14 -0.55 8.43 8.40 1rvyA1 GLY 367 HA2 -0.02 -0.00 0.41 -0.51 4.01 3.88 1rvyA1 GLY 367 HA3 -0.02 0.05 0.45 -0.51 4.01 3.98 1rvyA1 THR 368 H -0.02 0.35 -0.01 -0.55 8.28 8.05 1rvyA1 THR 368 HA -0.07 0.16 0.68 -0.75 4.39 4.41 1rvyA1 THR 368 HB -0.03 0.17 -0.31 -0.04 4.32 4.11 1rvyA1 THR 368 HG23 0.01 0.00 -0.25 -0.04 1.22 0.94 1rvyA1 ASP 369 H -0.11 0.17 0.15 -0.55 8.40 8.07 1rvyA1 ASP 369 HA -0.03 0.23 0.90 -0.75 4.63 4.98 1rvyA1 ASP 369 HB2 -0.05 0.29 -0.06 -0.04 2.71 2.85 1rvyA1 ASP 369 HB3 -0.05 0.10 -0.20 -0.04 2.70 2.50 1rvyA1 GLY 370 H -0.02 0.46 0.01 -0.55 8.43 8.32 1rvyA1 GLY 370 HA2 -0.01 0.06 0.23 -0.51 4.01 3.79 1rvyA1 GLY 370 HA3 -0.01 0.25 0.17 -0.51 4.01 3.91 1rvyA1 GLY 371 H -0.04 0.19 -0.27 -0.55 8.43 7.76 1rvyA1 GLY 371 HA2 -0.02 0.05 0.34 -0.51 4.01 3.88 1rvyA1 GLY 371 HA3 -0.04 0.05 0.24 -0.51 4.01 3.76 1rvyA1 ARG 372 H -0.14 0.12 -0.17 -0.55 8.46 7.72 1rvyA1 ARG 372 HA -0.03 0.09 0.48 -0.75 4.34 4.13 1rvyA1 ARG 372 HB2 -0.44 0.03 0.09 -0.04 1.90 1.53 1rvyA1 ARG 372 HB3 -1.40 0.09 -0.00 -0.04 1.80 0.44 1rvyA1 ARG 372 HG2 -0.59 0.00 0.00 -0.04 1.67 1.04 1rvyA1 ARG 372 HG3 -0.31 -0.13 0.02 -0.04 1.67 1.21 1rvyA1 ARG 372 HD2 -0.52 -0.01 0.02 -0.04 3.22 2.67 1rvyA1 ARG 372 HD3 -1.17 0.09 -0.03 -0.04 3.22 2.06 1rvyA1 ALA 373 H -0.06 0.44 -0.12 -0.55 8.40 8.12 1rvyA1 ALA 373 HA 0.06 0.04 0.32 -0.75 4.34 4.00 1rvyA1 ALA 373 HB3 0.01 0.00 -0.04 -0.04 1.41 1.35 1rvyA1 GLU 374 H 0.01 0.79 -0.16 -0.55 8.60 8.70 1rvyA1 GLU 374 HA 0.03 0.05 0.31 -0.75 4.29 3.93 1rvyA1 GLU 374 HB2 0.02 0.05 0.00 -0.04 2.09 2.12 1rvyA1 GLU 374 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 1rvyA1 GLU 374 HG2 0.02 0.25 0.16 -0.04 2.34 2.72 1rvyA1 GLU 374 HG3 0.03 0.03 -0.11 -0.04 2.34 2.25 1rvyA1 LYS 375 H 0.06 0.28 -0.29 -0.55 8.42 7.91 1rvyA1 LYS 375 HA 0.04 0.04 0.41 -0.75 4.32 4.06 1rvyA1 LYS 375 HB2 0.12 0.15 0.15 -0.04 1.87 2.26 1rvyA1 LYS 375 HB3 0.07 -0.01 -0.01 -0.04 1.79 1.80 1rvyA1 LYS 375 HG2 0.05 -0.00 0.06 -0.04 1.46 1.52 1rvyA1 LYS 375 HG3 0.06 -0.03 0.04 -0.04 1.46 1.49 1rvyA1 LYS 375 HD2 0.03 0.01 0.01 -0.04 1.69 1.71 1rvyA1 LYS 375 HD3 0.03 0.01 0.02 -0.04 1.68 1.70 1rvyA1 LYS 375 HE2 0.03 -0.03 -0.00 -0.04 2.99 2.95 1rvyA1 LYS 375 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 1rvyA1 VAL 376 H 0.11 0.38 -0.13 -0.55 8.24 8.05 1rvyA1 VAL 376 HA 0.04 0.06 0.44 -0.75 4.13 3.91 1rvyA1 VAL 376 HB 0.10 0.03 0.08 -0.04 2.12 2.28 1rvyA1 VAL 376 HG13 0.04 -0.00 -0.15 -0.04 0.97 0.81 1rvyA1 VAL 376 HG23 0.21 0.05 -0.01 -0.04 0.95 1.16 1rvyA1 LEU 377 H 0.05 0.56 -0.07 -0.55 8.37 8.36 1rvyA1 LEU 377 HA 0.03 0.00 0.33 -0.75 4.35 3.96 1rvyA1 LEU 377 HB2 0.03 0.08 0.10 -0.04 1.64 1.82 1rvyA1 LEU 377 HB3 0.03 0.06 0.00 -0.04 1.64 1.69 1rvyA1 LEU 377 HG 0.04 0.00 0.00 -0.04 1.64 1.65 1rvyA1 LEU 377 HD13 0.03 -0.03 -0.15 -0.04 0.93 0.74 1rvyA1 LEU 377 HD23 0.05 0.02 0.04 -0.04 0.89 0.95 1rvyA1 GLU 378 H 0.03 0.38 -0.42 -0.55 8.60 8.04 1rvyA1 GLU 378 HA 0.02 0.04 0.27 -0.75 4.29 3.87 1rvyA1 GLU 378 HB2 0.03 0.12 0.14 -0.04 2.09 2.33 1rvyA1 GLU 378 HB3 0.02 0.15 0.14 -0.04 1.99 2.25 1rvyA1 GLU 378 HG2 0.02 -0.00 -0.17 -0.04 2.34 2.15 1rvyA1 GLU 378 HG3 0.02 -0.06 -0.01 -0.04 2.34 2.25 1rvyA1 ALA 379 H 0.02 0.46 -0.14 -0.55 8.40 8.20 1rvyA1 ALA 379 HA 0.01 -0.01 0.41 -0.75 4.34 3.99 1rvyA1 ALA 379 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 1rvyA1 CYS 380 H 0.01 0.32 -0.66 -0.55 8.50 7.63 1rvyA1 CYS 380 HA -0.01 0.12 0.71 -0.75 4.58 4.65 1rvyA1 CYS 380 HB2 0.01 0.09 0.07 -0.04 2.97 3.10 1rvyA1 CYS 380 HB3 -0.02 -0.04 0.01 -0.04 2.97 2.88 1rvyA1 SER 381 H 0.00 0.57 -0.45 -0.55 8.46 8.05 1rvyA1 SER 381 HA 0.01 0.03 0.28 -0.75 4.49 4.05 1rvyA1 SER 381 HB2 -0.03 0.27 0.05 -0.04 3.95 4.20 1rvyA1 SER 381 HB3 -0.00 -0.08 0.20 -0.04 3.93 4.01 1rvyA1 ILE 382 H 0.01 0.58 -0.19 -0.55 8.25 8.10 1rvyA1 ILE 382 HA 0.03 0.15 0.85 -0.75 4.18 4.46 1rvyA1 ILE 382 HB 0.03 -0.04 0.06 -0.04 1.89 1.90 1rvyA1 ILE 382 HG12 0.01 0.03 -0.11 -0.04 1.49 1.38 1rvyA1 ILE 382 HG13 -0.01 0.15 -0.28 -0.04 1.21 1.03 1rvyA1 ILE 382 HG23 0.06 -0.03 -0.17 -0.04 0.93 0.75 1rvyA1 ILE 382 HD13 0.06 -0.04 -0.16 -0.04 0.88 0.70 1rvyA1 ALA 383 H 0.04 0.59 0.14 -0.55 8.40 8.61 1rvyA1 ALA 383 HA 0.03 0.12 0.67 -0.75 4.34 4.40 1rvyA1 ALA 383 HB3 0.03 -0.02 0.04 -0.04 1.41 1.42 1rvyA1 CYS 384 H 0.03 0.40 0.27 -0.55 8.50 8.65 1rvyA1 CYS 384 HA 0.03 -0.03 0.28 -0.75 4.58 4.10 1rvyA1 CYS 384 HB2 0.02 0.17 0.23 -0.04 2.97 3.35 1rvyA1 CYS 384 HB3 0.03 0.16 -0.13 -0.04 2.97 2.99 1rvyA1 ASN 385 H 0.01 0.36 0.29 -0.55 8.53 8.65 1rvyA1 ASN 385 HA 0.01 0.15 0.75 -0.75 4.76 4.93 1rvyA1 ASN 385 HB2 0.01 0.00 0.15 -0.04 2.88 3.00 1rvyA1 ASN 385 HB3 0.02 0.04 -0.10 -0.04 2.79 2.71 1rvyA1 ASN 385 HD21 0.00 -0.09 -0.07 -0.04 7.03 6.83 1rvyA1 ASN 385 HD22 -0.00 0.37 -0.08 -0.04 7.74 7.99 1rvyA1 LYS 386 H 0.00 0.11 0.15 -0.55 8.42 8.12 1rvyA1 LYS 386 HA -0.01 0.26 0.68 -0.75 4.32 4.50 1rvyA1 LYS 386 HB2 -0.01 -0.09 -0.03 -0.04 1.87 1.69 1rvyA1 LYS 386 HB3 -0.01 0.10 -0.26 -0.04 1.79 1.58 1rvyA1 LYS 386 HG2 -0.01 0.01 0.05 -0.04 1.46 1.47 1rvyA1 LYS 386 HG3 -0.01 0.01 -0.24 -0.04 1.46 1.17 1rvyA1 LYS 386 HD2 -0.02 -0.04 -0.08 -0.04 1.69 1.51 1rvyA1 LYS 386 HD3 -0.01 -0.03 -0.06 -0.04 1.68 1.54 1rvyA1 LYS 386 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.88 1rvyA1 LYS 386 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 1rvyA1 ASN 387 H -0.02 0.41 0.03 -0.55 8.53 8.41 1rvyA1 ASN 387 HA -0.03 -0.02 0.39 -0.75 4.76 4.35 1rvyA1 ASN 387 HB2 -0.02 0.23 -0.13 -0.04 2.88 2.92 1rvyA1 ASN 387 HB3 -0.02 -0.06 -0.24 -0.04 2.79 2.42 1rvyA1 ASN 387 HD21 -0.04 -0.01 -0.08 -0.04 7.03 6.87 1rvyA1 ASN 387 HD22 -0.03 -0.03 -0.10 -0.04 7.74 7.53 1rvyA1 THR 388 H -0.03 0.14 0.12 -0.55 8.28 7.97 1rvyA1 THR 388 HA -0.02 -0.31 0.52 -0.75 4.39 3.83 1rvyA1 THR 388 HB -0.02 0.11 0.09 -0.04 4.32 4.47 1rvyA1 THR 388 HG23 -0.02 -0.03 0.12 -0.04 1.22 1.25 1rvyA1 CYS 389 H -0.01 -0.10 0.30 -0.55 8.50 8.14 1rvyA1 CYS 389 HA -0.01 0.29 0.80 -0.75 4.58 4.90 1rvyA1 CYS 389 HB2 -0.01 -0.15 0.18 -0.04 2.97 2.94 1rvyA1 CYS 389 HB3 -0.01 0.06 0.12 -0.04 2.97 3.10 1rvyA1 PRO 390 HA 0.00 0.10 0.33 -0.51 4.44 4.37 1rvyA1 PRO 390 HB2 0.01 0.02 0.11 -0.04 2.28 2.37 1rvyA1 PRO 390 HB3 0.02 0.01 0.00 -0.04 2.02 2.02 1rvyA1 PRO 390 HG2 0.01 -0.02 0.11 -0.04 2.03 2.08 1rvyA1 PRO 390 HG3 0.02 0.13 0.10 -0.04 2.03 2.24 1rvyA1 PRO 390 HD2 -0.01 0.01 0.21 -0.04 3.68 3.85 1rvyA1 PRO 390 HD3 -0.00 0.22 0.24 -0.04 3.65 4.07 1rvyA1 GLY 391 H 0.00 -0.05 -0.27 -0.55 8.43 7.56 1rvyA1 GLY 391 HA2 0.00 0.08 0.42 -0.51 4.01 4.00 1rvyA1 GLY 391 HA3 0.00 -0.08 0.34 -0.51 4.01 3.75 1rvyA1 ASP 392 H -0.01 -0.10 0.05 -0.55 8.40 7.80 1rvyA1 ASP 392 HA -0.01 -0.12 0.45 -0.75 4.63 4.19 1rvyA1 ASP 392 HB2 -0.01 0.30 0.01 -0.04 2.71 2.97 1rvyA1 ASP 392 HB3 -0.01 0.09 -0.07 -0.04 2.70 2.67 1rvyA1 LYS 393 H -0.01 0.03 0.15 -0.55 8.42 8.04 1rvyA1 LYS 393 HA -0.00 0.25 0.69 -0.75 4.32 4.50 1rvyA1 LYS 393 HB2 -0.01 -0.06 0.13 -0.04 1.87 1.90 1rvyA1 LYS 393 HB3 -0.00 0.00 0.02 -0.04 1.79 1.76 1rvyA1 LYS 393 HG2 -0.00 -0.00 0.02 -0.04 1.46 1.43 1rvyA1 LYS 393 HG3 -0.00 0.05 0.04 -0.04 1.46 1.50 1rvyA1 LYS 393 HD2 -0.00 0.12 -0.37 -0.04 1.69 1.40 1rvyA1 LYS 393 HD3 -0.00 -0.07 -0.06 -0.04 1.68 1.50 1rvyA1 LYS 393 HE2 -0.00 -0.03 -0.08 -0.04 2.99 2.84 1rvyA1 LYS 393 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.90 1rvyA1 SER 394 H -0.01 0.05 0.03 -0.55 8.46 7.99 1rvyA1 SER 394 HA -0.00 0.25 0.98 -0.75 4.49 4.96 1rvyA1 SER 394 HB2 -0.01 0.10 -0.05 -0.04 3.95 3.96 1rvyA1 SER 394 HB3 -0.01 0.04 0.02 -0.04 3.93 3.94 1rvyA1 ALA 395 H -0.00 0.24 0.11 -0.55 8.40 8.21 1rvyA1 ALA 395 HA -0.01 0.12 0.55 -0.75 4.34 4.25 1rvyA1 ALA 395 HB3 0.00 0.03 0.07 -0.04 1.41 1.48 1rvyA1 LEU 396 H -0.01 0.05 -0.31 -0.55 8.37 7.56 1rvyA1 LEU 396 HA -0.01 0.20 0.73 -0.75 4.35 4.52 1rvyA1 LEU 396 HB2 -0.00 -0.00 0.07 -0.04 1.64 1.66 1rvyA1 LEU 396 HB3 -0.00 0.02 0.20 -0.04 1.64 1.82 1rvyA1 LEU 396 HG 0.00 0.04 0.02 -0.04 1.64 1.66 1rvyA1 LEU 396 HD13 0.01 0.03 -0.02 -0.04 0.93 0.90 1rvyA1 LEU 396 HD23 0.01 -0.03 -0.13 -0.04 0.89 0.69 1rvyA1 ARG 397 H -0.02 0.16 -0.73 -0.55 8.46 7.33 1rvyA1 ARG 397 HA -0.03 0.03 0.34 -0.75 4.34 3.93 1rvyA1 ARG 397 HB2 -0.03 0.22 -0.07 -0.04 1.90 1.99 1rvyA1 ARG 397 HB3 -0.02 -0.07 -0.08 -0.04 1.80 1.58 1rvyA1 ARG 397 HG2 -0.04 -0.04 0.02 -0.04 1.67 1.57 1rvyA1 ARG 397 HG3 -0.05 -0.00 0.04 -0.04 1.67 1.62 1rvyA1 ARG 397 HD2 -0.02 -0.06 -0.01 -0.04 3.22 3.09 1rvyA1 ARG 397 HD3 -0.03 0.03 -0.01 -0.04 3.22 3.16 1rvyA1 PRO 398 HA -0.02 0.05 0.54 -0.51 4.44 4.50 1rvyA1 PRO 398 HB2 -0.02 -0.02 -0.27 -0.04 2.28 1.93 1rvyA1 PRO 398 HB3 -0.02 0.08 0.08 -0.04 2.02 2.12 1rvyA1 PRO 398 HG2 -0.02 -0.14 0.04 -0.04 2.03 1.87 1rvyA1 PRO 398 HG3 -0.02 0.13 -0.02 -0.04 2.03 2.08 1rvyA1 PRO 398 HD2 -0.03 0.10 0.04 -0.04 3.68 3.75 1rvyA1 PRO 398 HD3 -0.02 0.30 0.02 -0.04 3.65 3.91 1rvyA1 SER 399 H -0.01 0.05 0.33 -0.55 8.46 8.28 1rvyA1 SER 399 HA -0.02 0.20 0.69 -0.75 4.49 4.61 1rvyA1 SER 399 HB2 -0.01 -0.06 0.24 -0.04 3.95 4.08 1rvyA1 SER 399 HB3 -0.00 -0.10 0.17 -0.04 3.93 3.96 1rvyA1 GLY 400 H -0.01 0.09 -0.03 -0.55 8.43 7.93 1rvyA1 GLY 400 HA2 0.00 0.33 0.85 -0.51 4.01 4.68 1rvyA1 GLY 400 HA3 -0.01 0.12 0.21 -0.51 4.01 3.82 1rvyA1 LEU 401 H -0.01 0.49 0.30 -0.55 8.37 8.61 1rvyA1 LEU 401 HA -0.01 0.16 0.82 -0.75 4.35 4.57 1rvyA1 LEU 401 HB2 -0.01 0.02 0.11 -0.04 1.64 1.72 1rvyA1 LEU 401 HB3 -0.01 0.09 -0.09 -0.04 1.64 1.59 1rvyA1 LEU 401 HG 0.01 -0.09 -0.20 -0.04 1.64 1.31 1rvyA1 LEU 401 HD13 0.01 0.02 -0.16 -0.04 0.93 0.76 1rvyA1 LEU 401 HD23 0.01 0.00 -0.19 -0.04 0.89 0.67 1rvyA1 ARG 402 H -0.01 0.73 0.33 -0.55 8.46 8.96 1rvyA1 ARG 402 HA -0.04 0.22 1.04 -0.75 4.34 4.81 1rvyA1 ARG 402 HB2 -0.03 0.00 -0.05 -0.04 1.90 1.79 1rvyA1 ARG 402 HB3 -0.01 -0.06 0.13 -0.04 1.80 1.81 1rvyA1 ARG 402 HG2 -0.04 -0.01 -0.15 -0.04 1.67 1.43 1rvyA1 ARG 402 HG3 -0.07 -0.00 -0.06 -0.04 1.67 1.50 1rvyA1 ARG 402 HD2 -0.09 0.04 -0.01 -0.04 3.22 3.12 1rvyA1 ARG 402 HD3 -0.05 0.02 -0.04 -0.04 3.22 3.11 1rvyA1 LEU 403 H -0.04 0.54 0.37 -0.55 8.37 8.69 1rvyA1 LEU 403 HA 0.02 0.32 1.06 -0.75 4.35 4.99 1rvyA1 LEU 403 HB2 -0.02 -0.07 0.08 -0.04 1.64 1.59 1rvyA1 LEU 403 HB3 0.03 0.09 0.03 -0.04 1.64 1.75 1rvyA1 LEU 403 HG -0.02 -0.08 -0.43 -0.04 1.64 1.07 1rvyA1 LEU 403 HD13 -0.03 0.00 -0.14 -0.04 0.93 0.72 1rvyA1 LEU 403 HD23 0.01 0.09 -0.12 -0.04 0.89 0.83 1rvyA1 GLY 404 H 0.05 0.70 0.29 -0.55 8.43 8.92 1rvyA1 GLY 404 HA2 -0.03 0.36 1.15 -0.51 4.01 4.98 1rvyA1 GLY 404 HA3 0.08 -0.10 0.29 -0.51 4.01 3.76 1rvyA1 THR 405 H 0.05 0.41 0.31 -0.55 8.28 8.50 1rvyA1 THR 405 HA 0.18 0.23 1.01 -0.75 4.39 5.05 1rvyA1 THR 405 HB -0.25 -0.03 0.08 -0.04 4.32 4.07 1rvyA1 THR 405 HG23 -0.36 0.00 -0.26 -0.04 1.22 0.57 1rvyA1 PRO 406 HA 0.05 0.06 0.44 -0.51 4.44 4.48 1rvyA1 PRO 406 HB2 0.05 0.20 0.09 -0.04 2.28 2.58 1rvyA1 PRO 406 HB3 0.06 0.03 0.04 -0.04 2.02 2.11 1rvyA1 PRO 406 HG2 0.08 0.11 0.11 -0.04 2.03 2.29 1rvyA1 PRO 406 HG3 0.00 -0.01 0.11 -0.04 2.03 2.09 1rvyA1 PRO 406 HD2 0.16 0.12 0.02 -0.04 3.68 3.94 1rvyA1 PRO 406 HD3 0.17 -0.06 0.32 -0.04 3.65 4.04 1rvyA1 ALA 407 H 0.05 0.20 -0.21 -0.55 8.40 7.89 1rvyA1 ALA 407 HA -0.02 -0.03 0.32 -0.75 4.34 3.85 1rvyA1 ALA 407 HB3 -0.13 0.06 -0.17 -0.04 1.41 1.13 1rvyA1 LEU 408 H 0.14 0.23 -0.08 -0.55 8.37 8.11 1rvyA1 LEU 408 HA 0.07 0.13 0.42 -0.75 4.35 4.22 1rvyA1 LEU 408 HB2 0.19 0.01 0.08 -0.04 1.64 1.87 1rvyA1 LEU 408 HB3 -0.23 -0.05 -0.00 -0.04 1.64 1.31 1rvyA1 LEU 408 HG 0.06 0.18 0.08 -0.04 1.64 1.92 1rvyA1 LEU 408 HD13 -0.07 -0.03 -0.13 -0.04 0.93 0.66 1rvyA1 LEU 408 HD23 -0.12 0.01 0.07 -0.04 0.89 0.80 1rvyA1 THR 409 H 0.22 0.47 -0.37 -0.55 8.28 8.06 1rvyA1 THR 409 HA 0.19 0.07 0.47 -0.75 4.39 4.37 1rvyA1 THR 409 HB 0.17 0.13 0.14 -0.04 4.32 4.73 1rvyA1 THR 409 HG23 0.05 -0.00 -0.09 -0.04 1.22 1.14 1rvyA1 SER 410 H 0.28 0.52 -0.03 -0.55 8.46 8.69 1rvyA1 SER 410 HA 0.06 -0.01 0.43 -0.75 4.49 4.21 1rvyA1 SER 410 HB2 0.29 0.16 0.16 -0.04 3.95 4.53 1rvyA1 SER 410 HB3 0.07 -0.06 0.14 -0.04 3.93 4.05 1rvyA1 ARG 411 H 0.10 0.21 -0.80 -0.55 8.46 7.42 1rvyA1 ARG 411 HA 0.00 0.14 0.75 -0.75 4.34 4.48 1rvyA1 ARG 411 HB2 -0.14 0.05 0.14 -0.04 1.90 1.91 1rvyA1 ARG 411 HB3 -0.05 0.10 0.16 -0.04 1.80 1.98 1rvyA1 ARG 411 HG2 -0.15 -0.01 -0.02 -0.04 1.67 1.46 1rvyA1 ARG 411 HG3 0.20 0.04 -0.02 -0.04 1.67 1.84 1rvyA1 ARG 411 HD2 0.00 -0.11 -0.01 -0.04 3.22 3.07 1rvyA1 ARG 411 HD3 -0.04 -0.10 0.05 -0.04 3.22 3.09 1rvyA1 GLY 412 H 0.07 0.51 -0.15 -0.55 8.43 8.31 1rvyA1 GLY 412 HA2 0.09 -0.02 0.31 -0.51 4.01 3.89 1rvyA1 GLY 412 HA3 0.13 0.15 0.84 -0.51 4.01 4.62 1rvyA1 LEU 413 H -0.16 0.33 0.03 -0.55 8.37 8.02 1rvyA1 LEU 413 HA -0.07 -0.02 0.38 -0.75 4.35 3.88 1rvyA1 LEU 413 HB2 -0.10 -0.02 -0.14 -0.04 1.64 1.34 1rvyA1 LEU 413 HB3 -0.40 -0.11 -0.07 -0.04 1.64 1.02 1rvyA1 LEU 413 HG -0.57 -0.05 -0.04 -0.04 1.64 0.94 1rvyA1 LEU 413 HD13 -0.68 -0.02 -0.09 -0.04 0.93 0.10 1rvyA1 LEU 413 HD23 -1.45 0.06 -0.05 -0.04 0.89 -0.59 1rvyA1 LEU 414 H 0.14 0.01 0.22 -0.55 8.37 8.20 1rvyA1 LEU 414 HA 0.16 0.30 0.85 -0.75 4.35 4.91 1rvyA1 LEU 414 HB2 0.12 -0.11 0.08 -0.04 1.64 1.69 1rvyA1 LEU 414 HB3 0.10 -0.12 0.19 -0.04 1.64 1.76 1rvyA1 LEU 414 HG 0.12 0.28 -0.11 -0.04 1.64 1.89 1rvyA1 LEU 414 HD13 0.08 -0.01 0.03 -0.04 0.93 0.98 1rvyA1 LEU 414 HD23 0.08 0.05 -0.01 -0.04 0.89 0.97 1rvyA1 GLU 415 H 0.10 0.23 0.13 -0.55 8.60 8.51 1rvyA1 GLU 415 HA 0.14 0.09 0.33 -0.75 4.29 4.10 1rvyA1 GLU 415 HB2 0.06 -0.04 0.16 -0.04 2.09 2.23 1rvyA1 GLU 415 HB3 0.06 0.05 0.00 -0.04 1.99 2.05 1rvyA1 GLU 415 HG2 0.02 0.04 0.03 -0.04 2.34 2.39 1rvyA1 GLU 415 HG3 0.02 0.06 -0.01 -0.04 2.34 2.37 1rvyA1 LYS 416 H 0.10 0.11 -0.13 -0.55 8.42 7.94 1rvyA1 LYS 416 HA 0.06 0.07 0.35 -0.75 4.32 4.05 1rvyA1 LYS 416 HB2 0.09 -0.03 0.08 -0.04 1.87 1.96 1rvyA1 LYS 416 HB3 0.07 0.08 -0.05 -0.04 1.79 1.85 1rvyA1 LYS 416 HG2 0.03 0.02 0.04 -0.04 1.46 1.51 1rvyA1 LYS 416 HG3 0.05 -0.03 0.04 -0.04 1.46 1.48 1rvyA1 LYS 416 HD2 0.04 0.02 0.01 -0.04 1.69 1.72 1rvyA1 LYS 416 HD3 0.03 0.03 -0.01 -0.04 1.68 1.69 1rvyA1 LYS 416 HE2 0.01 0.00 0.00 -0.04 2.99 2.97 1rvyA1 LYS 416 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 1rvyA1 ASP 417 H 0.16 0.06 -0.25 -0.55 8.40 7.83 1rvyA1 ASP 417 HA 0.30 0.08 0.40 -0.75 4.63 4.65 1rvyA1 ASP 417 HB2 0.06 0.07 0.19 -0.04 2.71 2.98 1rvyA1 ASP 417 HB3 0.17 0.10 0.04 -0.04 2.70 2.97 1rvyA1 PHE 418 H 0.27 0.53 -0.11 -0.55 8.34 8.47 1rvyA1 PHE 418 HA 0.09 0.03 0.39 -0.75 4.62 4.38 1rvyA1 PHE 418 HB2 0.03 0.09 0.04 -0.04 3.15 3.27 1rvyA1 PHE 418 HB3 0.02 -0.04 -0.10 -0.04 3.06 2.91 1rvyA1 PHE 418 HD2 0.02 0.00 -0.19 -0.04 7.28 7.07 1rvyA1 PHE 418 HE2 0.00 0.09 -0.17 -0.04 7.38 7.26 1rvyA1 PHE 418 HZ -0.00 0.01 -0.05 -0.04 7.32 7.23 1rvyA1 GLN 419 H 0.14 0.49 -0.24 -0.55 8.47 8.31 1rvyA1 GLN 419 HA 0.11 0.02 0.38 -0.75 4.36 4.11 1rvyA1 GLN 419 HB2 0.02 0.14 0.11 -0.04 2.15 2.38 1rvyA1 GLN 419 HB3 0.07 -0.04 0.05 -0.04 2.02 2.06 1rvyA1 GLN 419 HG2 0.08 -0.03 -0.04 -0.04 2.40 2.37 1rvyA1 GLN 419 HG3 0.10 0.50 0.08 -0.04 2.39 3.03 1rvyA1 GLN 419 HE21 0.03 -0.02 -0.04 -0.04 6.97 6.89 1rvyA1 GLN 419 HE22 0.04 0.01 -0.03 -0.04 7.69 7.67 1rvyA1 LYS 420 H -0.03 0.41 -0.25 -0.55 8.42 8.00 1rvyA1 LYS 420 HA -0.34 0.01 0.41 -0.75 4.32 3.65 1rvyA1 LYS 420 HB2 -0.26 0.03 0.14 -0.04 1.87 1.74 1rvyA1 LYS 420 HB3 -0.49 0.15 0.11 -0.04 1.79 1.52 1rvyA1 LYS 420 HG2 -1.09 -0.01 -0.03 -0.04 1.46 0.29 1rvyA1 LYS 420 HG3 -0.58 -0.05 0.05 -0.04 1.46 0.85 1rvyA1 LYS 420 HD2 -1.05 0.05 0.01 -0.04 1.69 0.65 1rvyA1 LYS 420 HD3 -0.44 -0.01 -0.00 -0.04 1.68 1.19 1rvyA1 LYS 420 HE2 -0.22 -0.04 -0.00 -0.04 2.99 2.68 1rvyA1 LYS 420 HE3 -0.17 0.04 0.00 -0.04 2.99 2.82 1rvyA1 VAL 421 H -0.00 0.36 -0.16 -0.55 8.24 7.88 1rvyA1 VAL 421 HA 0.27 0.04 0.36 -0.75 4.13 4.04 1rvyA1 VAL 421 HB 0.08 0.12 0.19 -0.04 2.12 2.48 1rvyA1 VAL 421 HG13 0.13 -0.01 -0.16 -0.04 0.97 0.88 1rvyA1 VAL 421 HG23 0.02 0.06 -0.03 -0.04 0.95 0.97 1rvyA1 ALA 422 H 0.10 0.81 -0.07 -0.55 8.40 8.69 1rvyA1 ALA 422 HA 0.02 -0.05 0.30 -0.75 4.34 3.86 1rvyA1 ALA 422 HB3 0.01 0.04 0.03 -0.04 1.41 1.46 1rvyA1 HIS 423 H 0.11 0.44 -0.39 -0.55 8.41 8.03 1rvyA1 HIS 423 HA 0.04 -0.02 0.38 -0.75 4.63 4.27 1rvyA1 HIS 423 HB2 -0.33 0.25 0.21 -0.04 3.26 3.35 1rvyA1 HIS 423 HB3 -0.18 -0.07 -0.02 -0.04 3.20 2.89 1rvyA1 HIS 423 HD2 -0.02 -0.03 0.01 -0.04 6.97 6.88 1rvyA1 HIS 423 HE1 -0.05 -0.04 -0.03 -0.04 7.75 7.59 1rvyA1 PHE 424 H -0.04 0.54 -0.05 -0.55 8.34 8.24 1rvyA1 PHE 424 HA 0.05 -0.02 0.45 -0.75 4.62 4.35 1rvyA1 PHE 424 HB2 0.04 0.13 0.20 -0.04 3.15 3.48 1rvyA1 PHE 424 HB3 0.04 -0.02 0.01 -0.04 3.06 3.04 1rvyA1 PHE 424 HD2 0.01 -0.05 -0.02 -0.04 7.28 7.17 1rvyA1 PHE 424 HE2 -0.28 -0.03 -0.05 -0.04 7.38 6.98 1rvyA1 PHE 424 HZ -0.15 -0.01 -0.05 -0.04 7.32 7.07 1rvyA1 ILE 425 H 0.16 0.64 -0.13 -0.55 8.25 8.37 1rvyA1 ILE 425 HA 0.08 0.01 0.36 -0.75 4.18 3.87 1rvyA1 ILE 425 HB -0.01 0.17 0.08 -0.04 1.89 2.08 1rvyA1 ILE 425 HG12 0.06 -0.03 -0.06 -0.04 1.49 1.42 1rvyA1 ILE 425 HG13 0.11 0.18 -0.05 -0.04 1.21 1.40 1rvyA1 ILE 425 HG23 -0.05 -0.04 -0.16 -0.04 0.93 0.64 1rvyA1 ILE 425 HD13 0.04 -0.02 -0.13 -0.04 0.88 0.72 1rvyA1 HIS 426 H 0.12 0.64 -0.16 -0.55 8.41 8.47 1rvyA1 HIS 426 HA 0.08 -0.04 0.41 -0.75 4.63 4.32 1rvyA1 HIS 426 HB2 -0.04 0.04 0.08 -0.04 3.26 3.31 1rvyA1 HIS 426 HB3 -0.02 0.15 0.20 -0.04 3.20 3.48 1rvyA1 HIS 426 HD2 -0.01 -0.01 -0.04 -0.04 6.97 6.87 1rvyA1 HIS 426 HE1 0.01 0.04 -0.01 -0.04 7.75 7.75 1rvyA1 ARG 427 H 0.12 0.74 -0.05 -0.55 8.46 8.72 1rvyA1 ARG 427 HA -0.07 -0.03 0.37 -0.75 4.34 3.86 1rvyA1 ARG 427 HB2 0.14 0.24 0.16 -0.04 1.90 2.41 1rvyA1 ARG 427 HB3 0.08 -0.09 0.03 -0.04 1.80 1.78 1rvyA1 ARG 427 HG2 0.12 0.04 0.10 -0.04 1.67 1.89 1rvyA1 ARG 427 HG3 0.21 -0.01 -0.00 -0.04 1.67 1.83 1rvyA1 ARG 427 HD2 0.06 -0.05 0.04 -0.04 3.22 3.23 1rvyA1 ARG 427 HD3 0.10 -0.02 -0.00 -0.04 3.22 3.26 1rvyA1 GLY 428 H 0.07 0.43 -0.50 -0.55 8.43 7.89 1rvyA1 GLY 428 HA2 0.04 -0.01 0.37 -0.51 4.01 3.90 1rvyA1 GLY 428 HA3 0.05 0.08 0.27 -0.51 4.01 3.91 1rvyA1 ILE 429 H 0.05 0.67 0.06 -0.55 8.25 8.48 1rvyA1 ILE 429 HA 0.07 -0.09 0.33 -0.75 4.18 3.73 1rvyA1 ILE 429 HB 0.22 0.15 0.10 -0.04 1.89 2.32 1rvyA1 ILE 429 HG12 0.07 0.38 0.05 -0.04 1.49 1.95 1rvyA1 ILE 429 HG13 0.17 -0.04 -0.08 -0.04 1.21 1.22 1rvyA1 ILE 429 HG23 0.20 -0.02 -0.10 -0.04 0.93 0.97 1rvyA1 ILE 429 HD13 0.07 -0.05 -0.09 -0.04 0.88 0.77 1rvyA1 GLU 430 H -0.07 0.62 -0.32 -0.55 8.60 8.29 1rvyA1 GLU 430 HA -0.02 0.03 0.41 -0.75 4.29 3.95 1rvyA1 GLU 430 HB2 -0.08 0.17 0.13 -0.04 2.09 2.27 1rvyA1 GLU 430 HB3 -0.05 -0.08 0.03 -0.04 1.99 1.84 1rvyA1 GLU 430 HG2 -0.23 -0.04 -0.01 -0.04 2.34 2.02 1rvyA1 GLU 430 HG3 -0.50 0.37 -0.01 -0.04 2.34 2.16 1rvyA1 LEU 431 H 0.01 0.55 -0.09 -0.55 8.37 8.29 1rvyA1 LEU 431 HA 0.04 -0.03 0.40 -0.75 4.35 4.01 1rvyA1 LEU 431 HB2 0.04 0.06 0.12 -0.04 1.64 1.82 1rvyA1 LEU 431 HB3 0.04 0.14 0.19 -0.04 1.64 1.97 1rvyA1 LEU 431 HG -0.00 -0.05 -0.24 -0.04 1.64 1.31 1rvyA1 LEU 431 HD13 0.11 -0.03 0.02 -0.04 0.93 0.99 1rvyA1 LEU 431 HD23 0.03 0.00 -0.12 -0.04 0.89 0.77 1rvyA1 THR 432 H 0.06 0.79 -0.05 -0.55 8.28 8.54 1rvyA1 THR 432 HA 0.23 -0.03 0.27 -0.75 4.39 4.10 1rvyA1 THR 432 HB 0.21 -0.11 -0.10 -0.04 4.32 4.28 1rvyA1 THR 432 HG23 0.08 0.11 -0.04 -0.04 1.22 1.34 1rvyA1 VAL 433 H 0.05 0.55 -0.39 -0.55 8.24 7.90 1rvyA1 VAL 433 HA 0.04 -0.00 0.44 -0.75 4.13 3.85 1rvyA1 VAL 433 HB 0.02 0.18 0.22 -0.04 2.12 2.51 1rvyA1 VAL 433 HG13 0.02 -0.03 -0.10 -0.04 0.97 0.82 1rvyA1 VAL 433 HG23 0.02 0.06 0.01 -0.04 0.95 1.00 1rvyA1 GLN 434 H 0.05 0.69 0.01 -0.55 8.47 8.67 1rvyA1 GLN 434 HA 0.06 -0.03 0.40 -0.75 4.36 4.04 1rvyA1 GLN 434 HB2 0.06 0.20 0.21 -0.04 2.15 2.58 1rvyA1 GLN 434 HB3 0.20 -0.09 -0.03 -0.04 2.02 2.06 1rvyA1 GLN 434 HG2 0.07 -0.07 0.02 -0.04 2.40 2.38 1rvyA1 GLN 434 HG3 0.05 0.20 0.05 -0.04 2.39 2.64 1rvyA1 GLN 434 HE21 0.04 -0.02 -0.07 -0.04 6.97 6.88 1rvyA1 GLN 434 HE22 0.03 0.02 -0.20 -0.04 7.69 7.49 1rvyA1 ILE 435 H -0.05 0.57 -0.20 -0.55 8.25 8.02 1rvyA1 ILE 435 HA -0.31 -0.01 0.28 -0.75 4.18 3.38 1rvyA1 ILE 435 HB -0.12 0.11 0.01 -0.04 1.89 1.85 1rvyA1 ILE 435 HG12 -1.07 -0.06 -0.09 -0.04 1.49 0.23 1rvyA1 ILE 435 HG13 -0.30 0.30 0.01 -0.04 1.21 1.17 1rvyA1 ILE 435 HG23 -0.59 -0.03 -0.02 -0.04 0.93 0.25 1rvyA1 ILE 435 HD13 -0.34 -0.04 -0.08 -0.04 0.88 0.38 1rvyA1 GLN 436 H 0.15 0.32 -0.83 -0.55 8.47 7.57 1rvyA1 GLN 436 HA 0.22 -0.00 0.39 -0.75 4.36 4.21 1rvyA1 GLN 436 HB2 0.08 0.06 0.20 -0.04 2.15 2.45 1rvyA1 GLN 436 HB3 0.05 0.17 0.27 -0.04 2.02 2.46 1rvyA1 GLN 436 HG2 0.01 -0.02 -0.14 -0.04 2.40 2.21 1rvyA1 GLN 436 HG3 -0.01 -0.07 -0.02 -0.04 2.39 2.25 1rvyA1 GLN 436 HE21 -0.05 0.39 0.36 -0.04 6.97 7.63 1rvyA1 GLN 436 HE22 -0.02 -0.09 0.08 -0.04 7.69 7.62 1rvyA1 ASP 437 H 0.06 0.59 0.15 -0.55 8.40 8.65 1rvyA1 ASP 437 HA 0.04 -0.03 0.32 -0.75 4.63 4.20 1rvyA1 ASP 437 HB2 0.05 0.08 0.10 -0.04 2.71 2.89 1rvyA1 ASP 437 HB3 0.03 -0.05 0.06 -0.04 2.70 2.70 1rvyA1 ASP 438 H 0.07 0.43 -0.56 -0.55 8.40 7.78 1rvyA1 ASP 438 HA 0.05 0.02 0.49 -0.75 4.63 4.43 1rvyA1 ASP 438 HB2 0.08 0.11 0.01 -0.04 2.71 2.87 1rvyA1 ASP 438 HB3 0.09 -0.06 -0.01 -0.04 2.70 2.68 1rvyA1 THR 439 H 0.07 0.46 -0.24 -0.55 8.28 8.02 1rvyA1 THR 439 HA 0.04 0.03 0.70 -0.75 4.39 4.41 1rvyA1 THR 439 HB 0.09 0.05 0.10 -0.04 4.32 4.52 1rvyA1 THR 439 HG23 0.12 0.12 -0.02 -0.04 1.22 1.40 1rvyA1 GLY 440 H 0.05 0.35 -0.16 -0.55 8.43 8.12 1rvyA1 GLY 440 HA2 0.02 0.04 0.34 -0.51 4.01 3.90 1rvyA1 GLY 440 HA3 0.02 0.15 0.80 -0.51 4.01 4.47 1rvyA1 PRO 441 HA 0.00 0.05 0.33 -0.51 4.44 4.31 1rvyA1 PRO 441 HB2 0.00 -0.01 0.03 -0.04 2.28 2.26 1rvyA1 PRO 441 HB3 0.00 0.00 0.10 -0.04 2.02 2.08 1rvyA1 PRO 441 HG2 0.01 0.01 0.09 -0.04 2.03 2.10 1rvyA1 PRO 441 HG3 0.01 0.05 0.10 -0.04 2.03 2.15 1rvyA1 PRO 441 HD2 0.01 0.09 0.18 -0.04 3.68 3.93 1rvyA1 PRO 441 HD3 0.02 0.16 0.21 -0.04 3.65 3.99 1rvyA1 ARG 442 H 0.01 0.10 -0.68 -0.55 8.46 7.34 1rvyA1 ARG 442 HA -0.00 0.11 0.95 -0.75 4.34 4.65 1rvyA1 ARG 442 HB2 0.00 -0.05 -0.00 -0.04 1.90 1.80 1rvyA1 ARG 442 HB3 0.00 -0.02 -0.10 -0.04 1.80 1.63 1rvyA1 ARG 442 HG2 0.01 0.02 0.07 -0.04 1.67 1.74 1rvyA1 ARG 442 HG3 0.01 -0.01 -0.08 -0.04 1.67 1.55 1rvyA1 ARG 442 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 1rvyA1 ARG 442 HD3 0.00 -0.02 -0.03 -0.04 3.22 3.13 1rvyA1 ALA 443 H 0.00 0.22 0.12 -0.55 8.40 8.19 1rvyA1 ALA 443 HA 0.02 -0.02 0.44 -0.75 4.34 4.03 1rvyA1 ALA 443 HB3 0.05 0.10 -0.05 -0.04 1.41 1.47 1rvyA1 THR 444 H 0.03 0.13 0.17 -0.55 8.28 8.06 1rvyA1 THR 444 HA 0.01 0.15 0.52 -0.75 4.39 4.31 1rvyA1 THR 444 HB 0.02 -0.01 0.17 -0.04 4.32 4.46 1rvyA1 THR 444 HG23 0.02 0.05 0.09 -0.04 1.22 1.33 1rvyA1 LEU 445 H 0.02 0.19 0.21 -0.55 8.37 8.24 1rvyA1 LEU 445 HA 0.06 0.14 0.38 -0.75 4.35 4.18 1rvyA1 LEU 445 HB2 0.00 0.06 0.15 -0.04 1.64 1.81 1rvyA1 LEU 445 HB3 0.03 -0.03 0.14 -0.04 1.64 1.74 1rvyA1 LEU 445 HG 0.07 0.01 -0.20 -0.04 1.64 1.47 1rvyA1 LEU 445 HD13 0.06 0.00 -0.02 -0.04 0.93 0.94 1rvyA1 LEU 445 HD23 0.02 0.01 -0.03 -0.04 0.89 0.84 1rvyA1 LYS 446 H 0.04 0.07 -0.16 -0.55 8.42 7.82 1rvyA1 LYS 446 HA 0.05 0.11 0.42 -0.75 4.32 4.14 1rvyA1 LYS 446 HB2 0.02 0.07 0.05 -0.04 1.87 1.97 1rvyA1 LYS 446 HB3 0.03 -0.01 0.07 -0.04 1.79 1.84 1rvyA1 LYS 446 HG2 0.02 0.03 -0.01 -0.04 1.46 1.46 1rvyA1 LYS 446 HG3 0.03 -0.17 -0.03 -0.04 1.46 1.24 1rvyA1 LYS 446 HD2 0.02 0.01 -0.12 -0.04 1.69 1.56 1rvyA1 LYS 446 HD3 0.02 0.05 -0.64 -0.04 1.68 1.07 1rvyA1 LYS 446 HE2 0.01 0.04 -0.06 -0.04 2.99 2.94 1rvyA1 LYS 446 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 1rvyA1 GLU 447 H 0.06 0.12 -0.36 -0.55 8.60 7.87 1rvyA1 GLU 447 HA 0.03 0.07 0.45 -0.75 4.29 4.08 1rvyA1 GLU 447 HB2 0.07 0.21 0.15 -0.04 2.09 2.47 1rvyA1 GLU 447 HB3 0.05 0.12 -0.00 -0.04 1.99 2.12 1rvyA1 GLU 447 HG2 0.03 0.06 0.07 -0.04 2.34 2.45 1rvyA1 GLU 447 HG3 0.03 -0.13 0.06 -0.04 2.34 2.27 1rvyA1 PHE 448 H 0.19 0.36 -0.17 -0.55 8.34 8.16 1rvyA1 PHE 448 HA -0.02 0.12 0.31 -0.75 4.62 4.28 1rvyA1 PHE 448 HB2 -0.01 0.05 0.01 -0.04 3.15 3.16 1rvyA1 PHE 448 HB3 -0.01 0.12 0.15 -0.04 3.06 3.28 1rvyA1 PHE 448 HD2 -0.02 0.05 -0.13 -0.04 7.28 7.13 1rvyA1 PHE 448 HE2 -0.04 0.12 -0.08 -0.04 7.38 7.33 1rvyA1 PHE 448 HZ -0.04 -0.03 -0.02 -0.04 7.32 7.19 1rvyA1 LYS 449 H 0.12 0.44 -0.10 -0.55 8.42 8.33 1rvyA1 LYS 449 HA -0.21 0.03 0.37 -0.75 4.32 3.76 1rvyA1 LYS 449 HB2 -0.01 -0.01 0.00 -0.04 1.87 1.81 1rvyA1 LYS 449 HB3 0.07 -0.02 0.08 -0.04 1.79 1.88 1rvyA1 LYS 449 HG2 0.07 0.06 0.21 -0.04 1.46 1.75 1rvyA1 LYS 449 HG3 0.01 0.23 0.06 -0.04 1.46 1.72 1rvyA1 LYS 449 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.63 1rvyA1 LYS 449 HD3 0.03 -0.09 0.03 -0.04 1.68 1.60 1rvyA1 LYS 449 HE2 0.00 0.01 -0.09 -0.04 2.99 2.87 1rvyA1 LYS 449 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.89 1rvyA1 GLU 450 H -0.03 0.37 -0.45 -0.55 8.60 7.94 1rvyA1 GLU 450 HA -0.04 -0.03 0.42 -0.75 4.29 3.89 1rvyA1 GLU 450 HB2 -0.02 0.29 0.24 -0.04 2.09 2.56 1rvyA1 GLU 450 HB3 -0.02 -0.06 0.05 -0.04 1.99 1.93 1rvyA1 GLU 450 HG2 -0.01 -0.09 0.06 -0.04 2.34 2.26 1rvyA1 GLU 450 HG3 0.00 0.47 0.18 -0.04 2.34 2.94 1rvyA1 LYS 451 H -0.12 0.41 -0.10 -0.55 8.42 8.06 1rvyA1 LYS 451 HA -0.03 0.14 0.38 -0.75 4.32 4.06 1rvyA1 LYS 451 HB2 -0.07 0.02 0.11 -0.04 1.87 1.89 1rvyA1 LYS 451 HB3 -0.26 0.07 0.10 -0.04 1.79 1.65 1rvyA1 LYS 451 HG2 -0.04 0.05 -0.03 -0.04 1.46 1.40 1rvyA1 LYS 451 HG3 0.05 -0.08 -0.14 -0.04 1.46 1.24 1rvyA1 LYS 451 HD2 0.03 0.10 0.08 -0.04 1.69 1.85 1rvyA1 LYS 451 HD3 0.01 0.02 -0.00 -0.04 1.68 1.67 1rvyA1 LYS 451 HE2 0.09 0.04 -0.04 -0.04 2.99 3.03 1rvyA1 LYS 451 HE3 0.13 -0.11 -0.00 -0.04 2.99 2.97 1rvyA1 LEU 452 H -0.36 0.43 -0.15 -0.55 8.37 7.74 1rvyA1 LEU 452 HA -0.26 -0.06 0.26 -0.75 4.35 3.54 1rvyA1 LEU 452 HB2 -0.51 -0.04 0.04 -0.04 1.64 1.10 1rvyA1 LEU 452 HB3 -0.26 0.17 0.13 -0.04 1.64 1.65 1rvyA1 LEU 452 HG -0.09 0.04 -0.35 -0.04 1.64 1.20 1rvyA1 LEU 452 HD13 -0.10 -0.02 -0.05 -0.04 0.93 0.73 1rvyA1 LEU 452 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.69 1rvyA1 ALA 453 H -0.09 0.38 -0.43 -0.55 8.40 7.71 1rvyA1 ALA 453 HA -0.03 0.04 0.64 -0.75 4.34 4.24 1rvyA1 ALA 453 HB3 -0.03 -0.02 0.09 -0.04 1.41 1.41 1rvyA1 GLY 454 H -0.03 0.80 0.19 -0.55 8.43 8.84 1rvyA1 GLY 454 HA2 -0.00 -0.00 0.66 -0.51 4.01 4.16 1rvyA1 GLY 454 HA3 -0.01 -0.04 0.40 -0.51 4.01 3.85 1rvyA1 ASP 455 H 0.01 0.25 0.02 -0.55 8.40 8.12 1rvyA1 ASP 455 HA 0.00 -0.03 0.42 -0.75 4.63 4.27 1rvyA1 ASP 455 HB2 0.08 0.35 0.19 -0.04 2.71 3.29 1rvyA1 ASP 455 HB3 0.15 0.07 -0.08 -0.04 2.70 2.80 1rvyA1 GLU 456 H -0.02 0.18 0.13 -0.55 8.60 8.34 1rvyA1 GLU 456 HA -0.02 0.09 0.37 -0.75 4.29 3.97 1rvyA1 GLU 456 HB2 -0.04 -0.06 0.15 -0.04 2.09 2.09 1rvyA1 GLU 456 HB3 -0.03 0.06 0.04 -0.04 1.99 2.03 1rvyA1 GLU 456 HG2 -0.02 -0.03 0.15 -0.04 2.34 2.39 1rvyA1 GLU 456 HG3 -0.02 0.04 0.06 -0.04 2.34 2.39 1rvyA1 LYS 457 H -0.12 0.08 -0.11 -0.55 8.42 7.72 1rvyA1 LYS 457 HA -0.09 0.06 0.34 -0.75 4.32 3.88 1rvyA1 LYS 457 HB2 -0.48 0.07 -0.09 -0.04 1.87 1.33 1rvyA1 LYS 457 HB3 -0.16 0.03 0.07 -0.04 1.79 1.69 1rvyA1 LYS 457 HG2 -0.19 -0.06 0.02 -0.04 1.46 1.19 1rvyA1 LYS 457 HG3 -0.17 0.07 0.01 -0.04 1.46 1.33 1rvyA1 LYS 457 HD2 -0.07 0.06 0.02 -0.04 1.69 1.65 1rvyA1 LYS 457 HD3 -0.08 -0.13 0.04 -0.04 1.68 1.46 1rvyA1 LYS 457 HE2 -0.06 0.06 0.02 -0.04 2.99 2.97 1rvyA1 LYS 457 HE3 -0.04 0.02 0.02 -0.04 2.99 2.95 1rvyA1 HIS 458 H -0.14 0.21 -0.34 -0.55 8.41 7.59 1rvyA1 HIS 458 HA -0.02 0.08 0.74 -0.75 4.63 4.68 1rvyA1 HIS 458 HB2 -0.05 0.17 0.09 -0.04 3.26 3.44 1rvyA1 HIS 458 HB3 -0.05 0.04 -0.01 -0.04 3.20 3.13 1rvyA1 HIS 458 HD2 -0.05 0.09 -0.12 -0.04 6.97 6.85 1rvyA1 HIS 458 HE1 -0.00 -0.01 -0.19 -0.04 7.75 7.51 1rvyA1 GLN 459 H 0.07 0.40 0.15 -0.55 8.47 8.54 1rvyA1 GLN 459 HA 0.02 0.06 0.45 -0.75 4.36 4.14 1rvyA1 GLN 459 HB2 0.01 0.35 0.28 -0.04 2.15 2.75 1rvyA1 GLN 459 HB3 0.01 -0.08 0.06 -0.04 2.02 1.96 1rvyA1 GLN 459 HG2 -0.00 -0.05 0.06 -0.04 2.40 2.37 1rvyA1 GLN 459 HG3 0.00 -0.07 0.01 -0.04 2.39 2.29 1rvyA1 GLN 459 HE21 -0.01 -0.02 0.05 -0.04 6.97 6.95 1rvyA1 GLN 459 HE22 -0.00 -0.04 0.05 -0.04 7.69 7.66 1rvyA1 ARG 460 H 0.01 0.27 -0.76 -0.55 8.46 7.43 1rvyA1 ARG 460 HA 0.00 -0.01 0.47 -0.75 4.34 4.05 1rvyA1 ARG 460 HB2 -0.01 -0.02 0.09 -0.04 1.90 1.92 1rvyA1 ARG 460 HB3 -0.02 0.11 0.07 -0.04 1.80 1.92 1rvyA1 ARG 460 HG2 -0.01 0.02 -0.17 -0.04 1.67 1.46 1rvyA1 ARG 460 HG3 -0.00 -0.07 -0.01 -0.04 1.67 1.55 1rvyA1 ARG 460 HD2 -0.01 -0.04 -0.04 -0.04 3.22 3.09 1rvyA1 ARG 460 HD3 -0.01 -0.04 -0.03 -0.04 3.22 3.11 1rvyA1 ALA 461 H 0.02 0.35 0.05 -0.55 8.40 8.28 1rvyA1 ALA 461 HA 0.02 -0.04 0.49 -0.75 4.34 4.05 1rvyA1 ALA 461 HB3 0.07 0.03 0.22 -0.04 1.41 1.68 1rvyA1 VAL 462 H 0.03 0.61 -0.14 -0.55 8.24 8.20 1rvyA1 VAL 462 HA 0.02 -0.02 0.31 -0.75 4.13 3.68 1rvyA1 VAL 462 HB 0.01 0.19 0.12 -0.04 2.12 2.40 1rvyA1 VAL 462 HG13 0.00 -0.02 -0.22 -0.04 0.97 0.69 1rvyA1 VAL 462 HG23 0.01 0.00 -0.07 -0.04 0.95 0.85 1rvyA1 ARG 463 H 0.01 0.48 -0.20 -0.55 8.46 8.20 1rvyA1 ARG 463 HA -0.00 0.01 0.40 -0.75 4.34 3.99 1rvyA1 ARG 463 HB2 0.00 0.05 0.19 -0.04 1.90 2.11 1rvyA1 ARG 463 HB3 0.00 0.20 0.22 -0.04 1.80 2.18 1rvyA1 ARG 463 HG2 0.00 -0.02 -0.17 -0.04 1.67 1.44 1rvyA1 ARG 463 HG3 -0.00 -0.03 0.06 -0.04 1.67 1.65 1rvyA1 ARG 463 HD2 0.00 -0.01 0.02 -0.04 3.22 3.18 1rvyA1 ARG 463 HD3 -0.00 -0.05 -0.00 -0.04 3.22 3.13 1rvyA1 ALA 464 H 0.01 0.52 -0.20 -0.55 8.40 8.18 1rvyA1 ALA 464 HA 0.01 -0.02 0.44 -0.75 4.34 4.01 1rvyA1 ALA 464 HB3 0.02 0.03 0.15 -0.04 1.41 1.57 1rvyA1 LEU 465 H 0.01 0.55 0.00 -0.55 8.37 8.39 1rvyA1 LEU 465 HA -0.00 -0.02 0.53 -0.75 4.35 4.11 1rvyA1 LEU 465 HB2 0.03 -0.02 0.09 -0.04 1.64 1.70 1rvyA1 LEU 465 HB3 0.01 0.10 0.12 -0.04 1.64 1.82 1rvyA1 LEU 465 HG -0.03 0.06 -0.08 -0.04 1.64 1.55 1rvyA1 LEU 465 HD13 0.07 -0.03 0.09 -0.04 0.93 1.02 1rvyA1 LEU 465 HD23 0.06 0.02 -0.09 -0.04 0.89 0.83 1rvyA1 ARG 466 H -0.02 0.74 -0.03 -0.55 8.46 8.60 1rvyA1 ARG 466 HA -0.05 0.22 0.46 -0.75 4.34 4.21 1rvyA1 ARG 466 HB2 -0.01 0.18 0.14 -0.04 1.90 2.17 1rvyA1 ARG 466 HB3 -0.01 -0.01 0.09 -0.04 1.80 1.83 1rvyA1 ARG 466 HG2 -0.02 0.01 -0.13 -0.04 1.67 1.48 1rvyA1 ARG 466 HG3 -0.01 0.32 0.08 -0.04 1.67 2.02 1rvyA1 ARG 466 HD2 -0.01 -0.02 -0.10 -0.04 3.22 3.04 1rvyA1 ARG 466 HD3 -0.01 -0.03 -0.08 -0.04 3.22 3.05 1rvyA1 GLN 467 H -0.02 0.56 -0.20 -0.55 8.47 8.26 1rvyA1 GLN 467 HA -0.02 -0.01 0.37 -0.75 4.36 3.96 1rvyA1 GLN 467 HB2 -0.00 0.06 0.16 -0.04 2.15 2.32 1rvyA1 GLN 467 HB3 -0.00 0.20 0.21 -0.04 2.02 2.39 1rvyA1 GLN 467 HG2 0.01 -0.03 -0.18 -0.04 2.40 2.16 1rvyA1 GLN 467 HG3 0.00 -0.04 0.04 -0.04 2.39 2.35 1rvyA1 GLN 467 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 1rvyA1 GLN 467 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 1rvyA1 GLU 468 H -0.04 0.39 -0.10 -0.55 8.60 8.31 1rvyA1 GLU 468 HA 0.00 -0.02 0.45 -0.75 4.29 3.97 1rvyA1 GLU 468 HB2 -0.09 0.09 0.18 -0.04 2.09 2.23 1rvyA1 GLU 468 HB3 0.09 -0.07 0.04 -0.04 1.99 2.02 1rvyA1 GLU 468 HG2 0.06 -0.06 0.05 -0.04 2.34 2.35 1rvyA1 GLU 468 HG3 0.03 0.25 0.14 -0.04 2.34 2.72 1rvyA1 VAL 469 H -0.25 0.79 -0.04 -0.55 8.24 8.19 1rvyA1 VAL 469 HA -0.66 -0.10 0.44 -0.75 4.13 3.07 1rvyA1 VAL 469 HB -0.15 0.17 0.30 -0.04 2.12 2.41 1rvyA1 VAL 469 HG13 -0.08 -0.01 -0.13 -0.04 0.97 0.71 1rvyA1 VAL 469 HG23 -0.36 0.02 0.07 -0.04 0.95 0.63 1rvyA1 GLU 470 H -0.07 0.74 -0.00 -0.55 8.60 8.72 1rvyA1 GLU 470 HA -0.00 0.38 0.55 -0.75 4.29 4.47 1rvyA1 GLU 470 HB2 -0.02 0.06 0.14 -0.04 2.09 2.23 1rvyA1 GLU 470 HB3 -0.00 -0.13 0.08 -0.04 1.99 1.89 1rvyA1 GLU 470 HG2 -0.01 0.22 -0.01 -0.04 2.34 2.50 1rvyA1 GLU 470 HG3 -0.02 0.03 0.06 -0.04 2.34 2.37 1rvyA1 SER 471 H 0.01 0.42 -0.26 -0.55 8.46 8.09 1rvyA1 SER 471 HA 0.03 0.01 0.51 -0.75 4.49 4.27 1rvyA1 SER 471 HB2 0.08 0.04 0.19 -0.04 3.95 4.22 1rvyA1 SER 471 HB3 0.05 -0.10 0.04 -0.04 3.93 3.89 1rvyA1 PHE 472 H 0.20 0.55 0.02 -0.55 8.34 8.55 1rvyA1 PHE 472 HA 0.07 -0.06 0.38 -0.75 4.62 4.26 1rvyA1 PHE 472 HB2 0.23 -0.03 0.15 -0.04 3.15 3.47 1rvyA1 PHE 472 HB3 0.09 0.20 0.19 -0.04 3.06 3.50 1rvyA1 PHE 472 HD2 0.20 0.02 -0.00 -0.04 7.28 7.46 1rvyA1 PHE 472 HE2 0.12 -0.05 -0.03 -0.04 7.38 7.38 1rvyA1 PHE 472 HZ 0.20 -0.13 0.05 -0.04 7.32 7.39 1rvyA1 ALA 473 H 0.12 0.58 -0.14 -0.55 8.40 8.41 1rvyA1 ALA 473 HA 0.03 -0.09 0.34 -0.75 4.34 3.86 1rvyA1 ALA 473 HB3 0.03 0.08 -0.04 -0.04 1.41 1.43 1rvyA1 ALA 474 H 0.01 0.38 -0.33 -0.55 8.40 7.91 1rvyA1 ALA 474 HA -0.02 0.05 0.34 -0.75 4.34 3.96 1rvyA1 ALA 474 HB3 -0.02 0.01 0.13 -0.04 1.41 1.49 1rvyA1 LEU 475 H -0.15 0.45 -0.47 -0.55 8.37 7.65 1rvyA1 LEU 475 HA -0.23 -0.08 0.38 -0.75 4.35 3.67 1rvyA1 LEU 475 HB2 -0.83 0.30 0.15 -0.04 1.64 1.22 1rvyA1 LEU 475 HB3 -0.75 -0.15 0.05 -0.04 1.64 0.75 1rvyA1 LEU 475 HG -0.08 0.12 0.08 -0.04 1.64 1.72 1rvyA1 LEU 475 HD13 0.02 -0.05 0.03 -0.04 0.93 0.90 1rvyA1 LEU 475 HD23 -0.11 -0.04 0.02 -0.04 0.89 0.71 1rvyA1 PHE 476 H -0.01 0.57 -0.24 -0.55 8.34 8.10 1rvyA1 PHE 476 HA -0.09 0.09 1.00 -0.75 4.62 4.86 1rvyA1 PHE 476 HB2 -0.14 0.09 0.10 -0.04 3.15 3.16 1rvyA1 PHE 476 HB3 -0.10 0.21 0.17 -0.04 3.06 3.30 1rvyA1 PHE 476 HD2 -0.22 0.20 0.01 -0.04 7.28 7.23 1rvyA1 PHE 476 HE2 -0.88 -0.05 -0.13 -0.04 7.38 6.28 1rvyA1 PHE 476 HZ -0.32 -0.14 -0.04 -0.04 7.32 6.77 1rvyA1 PRO 477 HA -0.03 0.07 0.54 -0.51 4.44 4.51 1rvyA1 PRO 477 HB2 -0.03 -0.06 0.01 -0.04 2.28 2.16 1rvyA1 PRO 477 HB3 -0.02 -0.04 0.10 -0.04 2.02 2.02 1rvyA1 PRO 477 HG2 0.01 0.06 0.07 -0.04 2.03 2.13 1rvyA1 PRO 477 HG3 0.02 -0.07 0.08 -0.04 2.03 2.02 1rvyA1 PRO 477 HD2 0.16 0.35 0.37 -0.04 3.68 4.52 1rvyA1 PRO 477 HD3 0.03 0.06 0.25 -0.04 3.65 3.94 1rvyA1 LEU 478 H -0.08 0.09 0.08 -0.55 8.37 7.90 1rvyA1 LEU 478 HA -0.32 0.23 0.90 -0.75 4.35 4.40 1rvyA1 LEU 478 HB2 -0.16 0.12 -0.06 -0.04 1.64 1.50 1rvyA1 LEU 478 HB3 -0.11 -0.09 0.16 -0.04 1.64 1.56 1rvyA1 LEU 478 HG -0.20 0.11 -0.13 -0.04 1.64 1.38 1rvyA1 LEU 478 HD13 -0.63 0.01 -0.08 -0.04 0.93 0.18 1rvyA1 LEU 478 HD23 -0.06 -0.06 -0.02 -0.04 0.89 0.70 1rvyA1 PRO 479 HA -0.05 -0.04 0.33 -0.51 4.44 4.17 1rvyA1 PRO 479 HB2 0.04 -0.04 -0.16 -0.04 2.28 2.09 1rvyA1 PRO 479 HB3 0.01 -0.10 -0.01 -0.04 2.02 1.88 1rvyA1 PRO 479 HG2 0.02 0.06 -0.03 -0.04 2.03 2.03 1rvyA1 PRO 479 HG3 -0.04 0.05 0.04 -0.04 2.03 2.04 1rvyA1 PRO 479 HD2 -0.61 0.06 0.07 -0.04 3.68 3.16 1rvyA1 PRO 479 HD3 -0.20 0.33 -0.03 -0.04 3.65 3.71 1rvyA1 GLY 480 H -0.00 -0.02 0.16 -0.55 8.43 8.02 1rvyA1 GLY 480 HA2 0.06 0.01 0.18 -0.51 4.01 3.76 1rvyA1 GLY 480 HA3 0.07 0.27 0.89 -0.51 4.01 4.73 1rvyA1 LEU 481 H 0.06 0.09 0.08 -0.55 8.37 8.05 1rvyA1 LEU 481 HA -0.10 0.04 0.53 -0.75 4.35 4.06 1rvyA1 LEU 481 HB2 -0.69 -0.00 -0.02 -0.04 1.64 0.90 1rvyA1 LEU 481 HB3 -0.30 0.01 -0.06 -0.04 1.64 1.25 1rvyA1 LEU 481 HG 0.12 -0.03 0.01 -0.04 1.64 1.70 1rvyA1 LEU 481 HD13 0.15 0.01 -0.07 -0.04 0.93 0.98 1rvyA1 LEU 481 HD23 -0.00 -0.02 -0.03 -0.04 0.89 0.80 1rvyA1 PRO 482 HA -0.10 0.06 0.30 -0.51 4.44 4.19 1rvyA1 PRO 482 HB2 -0.16 -0.08 0.10 -0.04 2.28 2.10 1rvyA1 PRO 482 HB3 -0.09 0.04 0.13 -0.04 2.02 2.06 1rvyA1 PRO 482 HG2 -0.09 0.01 0.07 -0.04 2.03 1.99 1rvyA1 PRO 482 HG3 -0.07 0.05 0.12 -0.04 2.03 2.09 1rvyA1 PRO 482 HD2 -0.15 0.05 0.10 -0.04 3.68 3.64 1rvyA1 PRO 482 HD3 -0.09 0.11 0.24 -0.04 3.65 3.87 1rvyA1 GLY 483 H -0.18 0.10 0.05 -0.55 8.43 7.85 1rvyA1 GLY 483 HA2 -0.10 0.25 1.02 -0.51 4.01 4.67 1rvyA1 GLY 483 HA3 -0.07 -0.02 0.29 -0.51 4.01 3.70 1rvyA1 PHE 484 H 0.03 0.25 0.02 -0.55 8.34 8.08 1rvyA1 PHE 484 HA -0.07 0.15 0.56 -0.75 4.62 4.50 1rvyA1 PHE 484 HB2 -0.07 0.09 0.07 -0.04 3.15 3.20 1rvyA1 PHE 484 HB3 -0.15 -0.01 -0.08 -0.04 3.06 2.77 1rvyA1 PHE 484 HD2 -0.06 0.05 -0.02 -0.04 7.28 7.20 1rvyA1 PHE 484 HE2 -0.00 -0.05 -0.02 -0.04 7.38 7.27 1rvyA1 PHE 484 HZ -0.00 -0.03 -0.04 -0.04 7.32 7.20