============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. HIS 8 0.900 27.302 106.826 92.162 -99.200 -91.000 TRP 30 1.040 56.781 122.994 105.530 -99.200 -91.000 TRP6 30 1.020 56.486 125.333 105.426 -99.200 -91.000 TRP 31 1.040 53.148 117.064 100.714 -99.200 -91.000 TRP6 31 1.020 55.438 117.266 101.297 -99.200 -91.000 PHE 33 1.000 50.786 126.113 103.508 -99.200 -91.000 HIS 54 0.900 24.358 142.619 96.516 -99.200 -91.000 TYR 55 0.840 31.759 145.871 89.723 -99.200 -91.000 PHE 63 1.000 35.204 154.869 95.091 -99.200 -91.000 HIS 68 0.900 23.684 149.383 97.301 -99.200 -91.000 TYR 75 0.840 25.624 140.205 108.434 -99.200 -91.000 TRP 77 1.040 29.861 144.671 107.291 -99.200 -91.000 TRP6 77 1.020 31.431 143.560 108.670 -99.200 -91.000 HIS 83 0.900 36.259 138.239 96.001 -99.200 -91.000 PHE 89 1.000 45.176 135.196 105.382 -99.200 -91.000 PHE 90 1.000 43.536 131.377 95.324 -99.200 -91.000 PHE 91 1.000 48.268 136.564 94.434 -99.200 -91.000 PHE 95 1.000 53.569 134.751 96.471 -99.200 -91.000 HIS 97 0.900 50.670 123.833 96.404 -99.200 -91.000 TYR 103 0.840 63.726 122.244 102.312 -99.200 -91.000 TYR 104 0.840 59.952 119.226 101.941 -99.200 -91.000 TYR 107 0.840 62.348 120.638 91.542 -99.200 -91.000 TYR 109 0.840 55.480 113.641 91.935 -99.200 -91.000 TRP 113 1.040 57.357 123.247 88.716 -99.200 -91.000 TRP6 113 1.020 57.560 123.848 90.995 -99.200 -91.000 PHE 128 1.000 45.585 143.842 85.493 -99.200 -91.000 TYR 131 0.840 43.987 146.804 93.611 -99.200 -91.000 TRP 135 1.040 36.950 153.148 87.214 -99.200 -91.000 TRP6 135 1.020 38.132 151.834 85.643 -99.200 -91.000 PHE 140 1.000 42.389 155.310 84.609 -99.200 -91.000 TRP 141 1.040 46.216 156.389 87.684 -99.200 -91.000 TRP6 141 1.020 46.773 157.263 85.558 -99.200 -91.000 PHE 150 1.000 50.303 141.673 78.015 -99.200 -91.000 TYR 155 0.840 58.033 144.433 63.485 -99.200 -91.000 HIS 158 0.900 51.703 150.996 71.155 -99.200 -91.000 TRP 163 1.040 42.493 142.870 69.993 -99.200 -91.000 TRP6 163 1.020 43.673 140.863 69.537 -99.200 -91.000 TRP 165 1.040 43.920 149.602 77.939 -99.200 -91.000 TRP6 165 1.020 45.455 151.219 77.167 -99.200 -91.000 PHE 168 1.000 42.385 153.568 69.136 -99.200 -91.000 PHE 178 1.000 40.883 144.802 82.425 -99.200 -91.000 PHE 179 1.000 31.275 141.756 86.800 -99.200 -91.000 HIS 182 0.900 37.983 139.102 89.547 -99.200 -91.000 PHE 183 1.000 30.361 135.733 87.031 -99.200 -91.000 PHE 187 1.000 33.096 130.123 87.879 -99.200 -91.000 HIS 196 0.900 48.644 121.288 90.518 -99.200 -91.000 PHE 199 1.000 48.836 116.142 83.626 -99.200 -91.000 HIS 201 0.900 44.427 112.544 92.883 -99.200 -91.000 PHE 220 1.000 42.582 113.415 101.898 -99.200 -91.000 HIS 221 0.900 37.755 109.982 106.617 -99.200 -91.000 TYR 223 0.840 45.816 107.608 109.501 -99.200 -91.000 TYR 224 0.840 48.097 112.598 105.114 -99.200 -91.000 PHE 226 1.000 39.300 113.354 111.861 -99.200 -91.000 PHE 239 1.000 40.361 135.061 104.957 -99.200 -91.000 PHE 245 1.000 39.519 141.400 116.236 -99.200 -91.000 PHE 256 1.000 39.275 152.851 101.394 -99.200 -91.000 HIS 267 0.900 54.318 159.140 98.350 -99.200 -91.000 TRP 272 1.040 50.041 141.421 100.180 -99.200 -91.000 TRP6 272 1.020 50.911 139.229 100.019 -99.200 -91.000 TYR 273 0.840 48.067 140.247 95.460 -99.200 -91.000 PHE 274 1.000 50.112 141.161 91.035 -99.200 -91.000 PHE 276 1.000 57.356 138.012 92.968 -99.200 -91.000 TYR 278 0.840 56.616 148.537 91.501 -99.200 -91.000 PHE 302 1.000 55.898 127.154 82.551 -99.200 -91.000 PHE 306 1.000 62.822 120.928 81.743 -99.200 -91.000 HIS 308 0.900 66.492 117.429 91.539 -99.200 -91.000 PHE 317 1.000 67.832 112.733 104.401 -99.200 -91.000 PHE 325 1.000 63.612 126.824 100.339 -99.200 -91.000 TRP 326 1.040 65.808 127.856 104.875 -99.200 -91.000 TRP6 326 1.020 63.518 128.354 105.146 -99.200 -91.000 TRP 337 1.040 62.839 147.326 102.423 -99.200 -91.000 TRP6 337 1.020 65.162 147.554 102.042 -99.200 -91.000 HIS 345 0.900 72.595 154.996 97.029 -99.200 -91.000 PHE 347 1.000 64.930 152.479 100.004 -99.200 -91.000 TYR 358 0.840 63.899 135.279 91.354 -99.200 -91.000 PHE 359 1.000 65.612 136.757 86.901 -99.200 -91.000 PHE 366 1.000 68.527 126.442 94.940 -99.200 -91.000 TYR 379 0.840 75.687 108.348 95.300 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1jP1 ALA 2 HA 0.01 0.13 0.20 -0.75 4.34 3.93 3h1jP1 ALA 2 HB3 0.00 -0.02 0.00 -0.04 1.41 1.36 3h1jP1 PRO 3 HA 0.01 0.05 0.34 -0.51 4.44 4.33 3h1jP1 PRO 3 HB2 0.01 -0.01 0.06 -0.04 2.28 2.30 3h1jP1 PRO 3 HB3 0.00 0.04 0.09 -0.04 2.02 2.11 3h1jP1 PRO 3 HG2 0.01 -0.13 0.17 -0.04 2.03 2.03 3h1jP1 PRO 3 HG3 0.01 0.05 0.11 -0.04 2.03 2.15 3h1jP1 PRO 3 HD2 0.01 0.17 0.47 -0.04 3.68 4.28 3h1jP1 PRO 3 HD3 0.00 0.06 0.08 -0.04 3.65 3.75 3h1jP1 ASN 4 H 0.01 0.12 0.09 -0.55 8.53 8.20 3h1jP1 ASN 4 HA 0.01 0.15 0.63 -0.75 4.76 4.79 3h1jP1 ASN 4 HB2 0.01 -0.16 0.08 -0.04 2.88 2.77 3h1jP1 ASN 4 HB3 0.01 0.09 0.10 -0.04 2.79 2.95 3h1jP1 ASN 4 HD21 0.01 0.15 -0.00 -0.04 7.03 7.15 3h1jP1 ASN 4 HD22 0.01 -0.07 0.03 -0.04 7.74 7.67 3h1jP1 ILE 5 H 0.01 0.18 0.16 -0.55 8.25 8.06 3h1jP1 ILE 5 HA 0.04 0.23 0.60 -0.75 4.18 4.29 3h1jP1 ILE 5 HB 0.03 0.00 0.08 -0.04 1.89 1.96 3h1jP1 ILE 5 HG12 0.02 -0.03 0.10 -0.04 1.49 1.54 3h1jP1 ILE 5 HG13 0.03 0.01 0.05 -0.04 1.21 1.25 3h1jP1 ILE 5 HG23 0.10 0.00 0.14 -0.04 0.93 1.13 3h1jP1 ILE 5 HD13 0.02 0.05 -0.13 -0.04 0.88 0.79 3h1jP1 ARG 6 H 0.01 0.04 -0.44 -0.55 8.46 7.52 3h1jP1 ARG 6 HA -0.02 0.12 0.54 -0.75 4.34 4.23 3h1jP1 ARG 6 HB2 -0.01 -0.02 0.01 -0.04 1.90 1.84 3h1jP1 ARG 6 HB3 0.00 0.01 -0.03 -0.04 1.80 1.75 3h1jP1 ARG 6 HG2 -0.02 0.02 -0.07 -0.04 1.67 1.55 3h1jP1 ARG 6 HG3 -0.02 0.00 -0.02 -0.04 1.67 1.59 3h1jP1 ARG 6 HD2 0.00 0.04 -0.15 -0.04 3.22 3.08 3h1jP1 ARG 6 HD3 0.00 0.00 -0.07 -0.04 3.22 3.11 3h1jP1 LYS 7 H 0.01 0.10 -0.20 -0.55 8.42 7.78 3h1jP1 LYS 7 HA 0.01 0.22 0.68 -0.75 4.32 4.47 3h1jP1 LYS 7 HB2 0.01 0.07 -0.05 -0.04 1.87 1.85 3h1jP1 LYS 7 HB3 0.01 0.08 0.04 -0.04 1.79 1.87 3h1jP1 LYS 7 HG2 0.01 0.08 -0.10 -0.04 1.46 1.40 3h1jP1 LYS 7 HG3 0.01 -0.19 -0.17 -0.04 1.46 1.06 3h1jP1 LYS 7 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.62 3h1jP1 LYS 7 HD3 0.01 0.07 -0.02 -0.04 1.68 1.69 3h1jP1 LYS 7 HE2 0.01 0.06 -0.03 -0.04 2.99 2.98 3h1jP1 LYS 7 HE3 0.01 -0.08 -0.04 -0.04 2.99 2.84 3h1jP1 SER 8 H 0.03 -0.07 -0.25 -0.55 8.46 7.63 3h1jP1 SER 8 HA 0.02 0.25 0.81 -0.75 4.49 4.81 3h1jP1 SER 8 HB2 0.01 -0.03 -0.05 -0.04 3.95 3.84 3h1jP1 SER 8 HB3 0.01 0.15 -0.06 -0.04 3.93 3.99 3h1jP1 HIS 9 H 0.13 0.09 -0.08 -0.55 8.41 8.00 3h1jP1 HIS 9 HA -0.01 0.13 0.40 -0.75 4.63 4.41 3h1jP1 HIS 9 HB2 -0.01 0.14 0.20 -0.04 3.26 3.56 3h1jP1 HIS 9 HB3 -0.01 -0.09 0.16 -0.04 3.20 3.21 3h1jP1 HIS 9 HD2 -0.01 0.07 0.06 -0.04 6.97 7.04 3h1jP1 HIS 9 HE1 -0.01 0.10 0.02 -0.04 7.75 7.82 3h1jP1 PRO 10 HA 0.04 0.16 0.33 -0.51 4.44 4.46 3h1jP1 PRO 10 HB2 -0.02 -0.04 0.04 -0.04 2.28 2.23 3h1jP1 PRO 10 HB3 -0.00 0.06 0.09 -0.04 2.02 2.12 3h1jP1 PRO 10 HG2 -0.10 0.02 0.09 -0.04 2.03 1.99 3h1jP1 PRO 10 HG3 -0.05 0.12 0.12 -0.04 2.03 2.18 3h1jP1 PRO 10 HD2 -0.50 0.02 0.19 -0.04 3.68 3.35 3h1jP1 PRO 10 HD3 -0.15 0.19 0.22 -0.04 3.65 3.87 3h1jP1 LEU 11 H 0.90 -0.02 -0.39 -0.55 8.37 8.31 3h1jP1 LEU 11 HA 0.07 0.26 0.85 -0.75 4.35 4.77 3h1jP1 LEU 11 HB2 0.05 -0.07 0.08 -0.04 1.64 1.66 3h1jP1 LEU 11 HB3 0.00 0.03 -0.02 -0.04 1.64 1.60 3h1jP1 LEU 11 HG 0.23 -0.03 -0.05 -0.04 1.64 1.76 3h1jP1 LEU 11 HD13 0.07 0.01 -0.02 -0.04 0.93 0.94 3h1jP1 LEU 11 HD23 0.05 0.03 -0.13 -0.04 0.89 0.80 3h1jP1 LEU 12 H -0.38 0.07 0.03 -0.55 8.37 7.55 3h1jP1 LEU 12 HA -0.13 -0.00 0.46 -0.75 4.35 3.93 3h1jP1 LEU 12 HB2 -0.11 0.11 0.13 -0.04 1.64 1.73 3h1jP1 LEU 12 HB3 -0.11 -0.00 0.10 -0.04 1.64 1.59 3h1jP1 LEU 12 HG -0.89 -0.06 0.11 -0.04 1.64 0.75 3h1jP1 LEU 12 HD13 -0.14 0.05 0.02 -0.04 0.93 0.82 3h1jP1 LEU 12 HD23 -0.22 -0.01 -0.00 -0.04 0.89 0.62 3h1jP1 LYS 13 H 0.05 0.61 -0.30 -0.55 8.42 8.24 3h1jP1 LYS 13 HA 0.00 0.13 0.26 -0.75 4.32 3.96 3h1jP1 LYS 13 HB2 0.04 -0.02 -0.53 -0.04 1.87 1.31 3h1jP1 LYS 13 HB3 0.04 0.06 -0.28 -0.04 1.79 1.57 3h1jP1 LYS 13 HG2 0.00 -0.05 -0.33 -0.04 1.46 1.04 3h1jP1 LYS 13 HG3 0.01 0.00 -0.03 -0.04 1.46 1.39 3h1jP1 LYS 13 HD2 0.02 -0.02 -0.15 -0.04 1.69 1.49 3h1jP1 LYS 13 HD3 0.00 -0.06 -0.07 -0.04 1.68 1.51 3h1jP1 LYS 13 HE2 0.01 0.19 0.06 -0.04 2.99 3.20 3h1jP1 LYS 13 HE3 0.02 0.05 -0.25 -0.04 2.99 2.76 3h1jP1 MET 14 H -0.01 0.37 -0.95 -0.55 8.47 7.33 3h1jP1 MET 14 HA -0.02 0.13 0.63 -0.75 4.52 4.50 3h1jP1 MET 14 HB2 -0.01 0.23 0.17 -0.04 2.15 2.50 3h1jP1 MET 14 HB3 -0.01 -0.06 -0.03 -0.04 2.03 1.88 3h1jP1 MET 14 HG2 -0.00 -0.02 -0.05 -0.04 2.63 2.52 3h1jP1 MET 14 HG3 0.01 0.16 -0.00 -0.04 2.56 2.69 3h1jP1 MET 14 HE3 0.00 -0.01 -0.03 -0.04 2.10 2.02 3h1jP1 ILE 15 H -0.05 0.28 0.16 -0.55 8.25 8.09 3h1jP1 ILE 15 HA -0.06 0.07 0.42 -0.75 4.18 3.86 3h1jP1 ILE 15 HB -0.07 0.01 0.17 -0.04 1.89 1.96 3h1jP1 ILE 15 HG12 -0.06 -0.02 0.00 -0.04 1.49 1.37 3h1jP1 ILE 15 HG13 -0.05 0.02 0.02 -0.04 1.21 1.15 3h1jP1 ILE 15 HG23 -0.07 -0.01 -0.10 -0.04 0.93 0.71 3h1jP1 ILE 15 HD13 -0.05 -0.03 -0.04 -0.04 0.88 0.72 3h1jP1 ASN 16 H -0.05 0.86 -0.09 -0.55 8.53 8.71 3h1jP1 ASN 16 HA -0.04 -0.04 0.43 -0.75 4.76 4.36 3h1jP1 ASN 16 HB2 -0.03 -0.08 0.02 -0.04 2.88 2.74 3h1jP1 ASN 16 HB3 -0.02 0.27 0.01 -0.04 2.79 3.00 3h1jP1 ASN 16 HD21 -0.00 -0.04 -0.17 -0.04 7.03 6.77 3h1jP1 ASN 16 HD22 -0.01 0.18 -0.18 -0.04 7.74 7.70 3h1jP1 ASN 17 H -0.04 0.27 -0.51 -0.55 8.53 7.70 3h1jP1 ASN 17 HA -0.05 0.01 0.44 -0.75 4.76 4.40 3h1jP1 ASN 17 HB2 -0.03 0.60 0.48 -0.04 2.88 3.89 3h1jP1 ASN 17 HB3 -0.06 -0.04 0.04 -0.04 2.79 2.69 3h1jP1 ASN 17 HD21 -0.02 -0.04 0.02 -0.04 7.03 6.95 3h1jP1 ASN 17 HD22 -0.03 -0.02 0.02 -0.04 7.74 7.67 3h1jP1 SER 18 H -0.10 0.15 -0.49 -0.55 8.46 7.47 3h1jP1 SER 18 HA -0.34 0.21 0.95 -0.75 4.49 4.57 3h1jP1 SER 18 HB2 0.00 -0.06 0.08 -0.04 3.95 3.93 3h1jP1 SER 18 HB3 -0.12 0.04 -0.10 -0.04 3.93 3.71 3h1jP1 LEU 19 H -0.14 0.30 0.09 -0.55 8.37 8.08 3h1jP1 LEU 19 HA -0.76 0.19 0.84 -0.75 4.35 3.86 3h1jP1 LEU 19 HB2 -0.15 0.13 0.09 -0.04 1.64 1.68 3h1jP1 LEU 19 HB3 -0.19 -0.08 0.20 -0.04 1.64 1.53 3h1jP1 LEU 19 HG -0.21 0.03 -0.28 -0.04 1.64 1.15 3h1jP1 LEU 19 HD13 -0.09 -0.02 -0.01 -0.04 0.93 0.77 3h1jP1 LEU 19 HD23 -0.59 0.02 0.08 -0.04 0.89 0.36 3h1jP1 ILE 20 H -0.03 0.09 0.12 -0.55 8.25 7.88 3h1jP1 ILE 20 HA 0.23 0.13 0.93 -0.75 4.18 4.71 3h1jP1 ILE 20 HB 0.01 0.00 0.20 -0.04 1.89 2.06 3h1jP1 ILE 20 HG12 -0.04 0.10 -0.03 -0.04 1.49 1.49 3h1jP1 ILE 20 HG13 -0.04 0.01 -0.63 -0.04 1.21 0.50 3h1jP1 ILE 20 HG23 0.07 -0.00 -0.08 -0.04 0.93 0.88 3h1jP1 ILE 20 HD13 -0.07 -0.02 -0.11 -0.04 0.88 0.64 3h1jP1 ASP 21 H 0.02 0.73 0.32 -0.55 8.40 8.92 3h1jP1 ASP 21 HA 0.07 0.16 0.82 -0.75 4.63 4.93 3h1jP1 ASP 21 HB2 0.01 0.14 0.04 -0.04 2.71 2.85 3h1jP1 ASP 21 HB3 0.02 0.01 0.13 -0.04 2.70 2.82 3h1jP1 LEU 22 H 0.04 -0.18 -0.27 -0.55 8.37 7.42 3h1jP1 LEU 22 HA -0.03 0.22 0.40 -0.75 4.35 4.19 3h1jP1 LEU 22 HB2 -0.14 -0.04 -0.18 -0.04 1.64 1.24 3h1jP1 LEU 22 HB3 0.07 -0.17 -0.11 -0.04 1.64 1.39 3h1jP1 LEU 22 HG 0.06 0.03 -0.25 -0.04 1.64 1.45 3h1jP1 LEU 22 HD13 -0.16 0.05 0.11 -0.04 0.93 0.89 3h1jP1 LEU 22 HD23 -0.16 -0.03 0.04 -0.04 0.89 0.70 3h1jP1 PRO 23 HA 0.09 0.06 0.38 -0.51 4.44 4.46 3h1jP1 PRO 23 HB2 0.04 0.01 0.05 -0.04 2.28 2.33 3h1jP1 PRO 23 HB3 0.04 -0.03 0.01 -0.04 2.02 2.00 3h1jP1 PRO 23 HG2 0.02 0.02 0.08 -0.04 2.03 2.11 3h1jP1 PRO 23 HG3 0.03 0.08 0.06 -0.04 2.03 2.16 3h1jP1 PRO 23 HD2 -0.00 0.09 0.25 -0.04 3.68 3.98 3h1jP1 PRO 23 HD3 0.00 0.21 0.32 -0.04 3.65 4.14 3h1jP1 ALA 24 H 0.13 0.32 0.29 -0.55 8.40 8.60 3h1jP1 ALA 24 HA 0.03 0.16 0.88 -0.75 4.34 4.66 3h1jP1 ALA 24 HB3 0.07 0.01 -0.03 -0.04 1.41 1.41 3h1jP1 PRO 25 HA -0.03 0.19 0.52 -0.51 4.44 4.61 3h1jP1 PRO 25 HB2 -0.27 -0.14 0.02 -0.04 2.28 1.85 3h1jP1 PRO 25 HB3 -0.14 -0.02 0.05 -0.04 2.02 1.87 3h1jP1 PRO 25 HG2 -0.17 0.20 -0.28 -0.04 2.03 1.74 3h1jP1 PRO 25 HG3 -0.05 0.10 -0.01 -0.04 2.03 2.02 3h1jP1 PRO 25 HD2 -0.22 0.04 0.18 -0.04 3.68 3.65 3h1jP1 PRO 25 HD3 -0.04 0.16 0.24 -0.04 3.65 3.97 3h1jP1 SER 26 H -0.04 0.38 0.30 -0.55 8.46 8.56 3h1jP1 SER 26 HA -0.00 0.14 0.48 -0.75 4.49 4.35 3h1jP1 SER 26 HB2 -0.12 -0.03 0.06 -0.04 3.95 3.82 3h1jP1 SER 26 HB3 -0.05 0.10 -0.03 -0.04 3.93 3.90 3h1jP1 ASN 27 H -0.11 -0.01 -0.28 -0.55 8.53 7.58 3h1jP1 ASN 27 HA -0.07 0.34 0.97 -0.75 4.76 5.24 3h1jP1 ASN 27 HB2 -0.08 -0.02 0.11 -0.04 2.88 2.84 3h1jP1 ASN 27 HB3 -0.07 0.04 -0.07 -0.04 2.79 2.65 3h1jP1 ASN 27 HD21 -0.13 -0.14 -0.10 -0.04 7.03 6.62 3h1jP1 ASN 27 HD22 -0.10 0.01 -0.03 -0.04 7.74 7.58 3h1jP1 ILE 28 H -0.24 0.24 -0.22 -0.55 8.25 7.48 3h1jP1 ILE 28 HA -0.92 -0.07 0.46 -0.75 4.18 2.91 3h1jP1 ILE 28 HB -0.89 -0.01 0.01 -0.04 1.89 0.96 3h1jP1 ILE 28 HG12 -0.35 0.14 0.01 -0.04 1.49 1.24 3h1jP1 ILE 28 HG13 -0.21 -0.01 -0.04 -0.04 1.21 0.91 3h1jP1 ILE 28 HG23 -1.45 -0.04 0.09 -0.04 0.93 -0.50 3h1jP1 ILE 28 HD13 -1.04 -0.00 -0.00 -0.04 0.88 -0.21 3h1jP1 SER 29 H -0.08 0.01 0.16 -0.55 8.46 8.00 3h1jP1 SER 29 HA 0.08 0.29 0.66 -0.75 4.49 4.76 3h1jP1 SER 29 HB2 0.21 -0.20 0.24 -0.04 3.95 4.17 3h1jP1 SER 29 HB3 0.17 0.16 0.12 -0.04 3.93 4.33 3h1jP1 ALA 30 H 0.03 0.21 0.16 -0.55 8.40 8.25 3h1jP1 ALA 30 HA -0.04 0.14 0.44 -0.75 4.34 4.13 3h1jP1 ALA 30 HB3 -0.29 0.04 0.11 -0.04 1.41 1.23 3h1jP1 TRP 31 H 0.16 0.09 -0.22 -0.55 7.97 7.46 3h1jP1 TRP 31 HA 0.42 0.09 0.36 -0.75 4.62 4.74 3h1jP1 TRP 31 HB2 0.24 0.00 -0.00 -0.04 3.23 3.42 3h1jP1 TRP 31 HB3 0.09 0.04 0.15 -0.04 3.23 3.48 3h1jP1 TRP 31 HD1 0.31 -0.01 0.03 -0.04 7.22 7.51 3h1jP1 TRP 31 HE1 0.19 0.04 0.01 -0.04 10.20 10.40 3h1jP1 TRP 31 HE3 0.24 0.01 0.02 -0.04 7.59 7.81 3h1jP1 TRP 31 HZ2 0.21 0.03 -0.01 -0.04 7.44 7.62 3h1jP1 TRP 31 HZ3 0.04 0.01 0.00 -0.04 7.13 7.14 3h1jP1 TRP 31 HH2 0.20 0.03 -0.01 -0.04 7.19 7.36 3h1jP1 TRP 32 H 0.40 0.32 -1.08 -0.55 7.97 7.06 3h1jP1 TRP 32 HA 0.18 0.17 0.84 -0.75 4.62 5.05 3h1jP1 TRP 32 HB2 0.01 0.26 -0.05 -0.04 3.23 3.41 3h1jP1 TRP 32 HB3 -0.02 0.01 0.04 -0.04 3.23 3.22 3h1jP1 TRP 32 HD1 0.01 -0.01 0.06 -0.04 7.22 7.24 3h1jP1 TRP 32 HE1 0.01 -0.07 0.02 -0.04 10.20 10.12 3h1jP1 TRP 32 HE3 0.04 -0.15 -0.24 -0.04 7.59 7.20 3h1jP1 TRP 32 HZ2 -0.13 -0.02 -0.43 -0.04 7.44 6.82 3h1jP1 TRP 32 HZ3 -0.82 -0.03 -0.05 -0.04 7.13 6.20 3h1jP1 TRP 32 HH2 -0.80 0.05 -0.31 -0.04 7.19 6.08 3h1jP1 ASN 33 H -0.01 0.70 0.08 -0.55 8.53 8.76 3h1jP1 ASN 33 HA 0.04 0.14 0.62 -0.75 4.76 4.80 3h1jP1 ASN 33 HB2 -0.47 0.15 0.16 -0.04 2.88 2.68 3h1jP1 ASN 33 HB3 -0.24 -0.05 0.09 -0.04 2.79 2.54 3h1jP1 ASN 33 HD21 -0.00 0.05 -0.17 -0.04 7.03 6.86 3h1jP1 ASN 33 HD22 -0.06 -0.05 0.05 -0.04 7.74 7.63 3h1jP1 PHE 34 H 0.02 0.19 -0.26 -0.55 8.34 7.74 3h1jP1 PHE 34 HA 0.05 0.05 0.47 -0.75 4.62 4.43 3h1jP1 PHE 34 HB2 0.26 0.08 -0.02 -0.04 3.15 3.43 3h1jP1 PHE 34 HB3 0.12 0.08 0.01 -0.04 3.06 3.22 3h1jP1 PHE 34 HD2 0.16 0.04 -0.04 -0.04 7.28 7.39 3h1jP1 PHE 34 HE2 -0.02 -0.01 -0.07 -0.04 7.38 7.24 3h1jP1 PHE 34 HZ -0.08 0.02 -0.06 -0.04 7.32 7.15 3h1jP1 GLY 35 H 0.25 0.22 -0.35 -0.55 8.43 8.01 3h1jP1 GLY 35 HA2 -0.11 0.08 0.32 -0.51 4.01 3.79 3h1jP1 GLY 35 HA3 0.18 0.13 0.26 -0.51 4.01 4.07 3h1jP1 SER 36 H 0.08 0.21 -0.22 -0.55 8.46 7.99 3h1jP1 SER 36 HA 0.02 0.09 0.49 -0.75 4.49 4.34 3h1jP1 SER 36 HB2 0.05 -0.01 0.02 -0.04 3.95 3.97 3h1jP1 SER 36 HB3 0.12 0.04 0.07 -0.04 3.93 4.12 3h1jP1 LEU 37 H -0.01 0.36 -0.13 -0.55 8.37 8.04 3h1jP1 LEU 37 HA -0.06 0.02 0.40 -0.75 4.35 3.95 3h1jP1 LEU 37 HB2 0.08 0.00 0.15 -0.04 1.64 1.82 3h1jP1 LEU 37 HB3 0.02 0.00 0.00 -0.04 1.64 1.62 3h1jP1 LEU 37 HG -0.11 0.27 0.03 -0.04 1.64 1.79 3h1jP1 LEU 37 HD13 -0.15 -0.02 -0.11 -0.04 0.93 0.60 3h1jP1 LEU 37 HD23 -0.04 -0.01 -0.10 -0.04 0.89 0.71 3h1jP1 LEU 38 H -0.06 0.93 -0.14 -0.55 8.37 8.55 3h1jP1 LEU 38 HA -0.37 0.00 0.40 -0.75 4.35 3.63 3h1jP1 LEU 38 HB2 -0.20 0.22 0.18 -0.04 1.64 1.79 3h1jP1 LEU 38 HB3 -0.20 -0.04 -0.03 -0.04 1.64 1.33 3h1jP1 LEU 38 HG -0.08 -0.03 -0.10 -0.04 1.64 1.40 3h1jP1 LEU 38 HD13 -0.50 -0.02 -0.10 -0.04 0.93 0.27 3h1jP1 LEU 38 HD23 -0.09 -0.02 0.01 -0.04 0.89 0.76 3h1jP1 ALA 39 H -0.11 0.45 -0.18 -0.55 8.40 8.02 3h1jP1 ALA 39 HA -0.11 -0.01 0.41 -0.75 4.34 3.88 3h1jP1 ALA 39 HB3 -0.04 0.03 0.14 -0.04 1.41 1.50 3h1jP1 VAL 40 H -0.10 0.87 0.01 -0.55 8.24 8.47 3h1jP1 VAL 40 HA -0.09 -0.05 0.34 -0.75 4.13 3.57 3h1jP1 VAL 40 HB -0.10 0.09 0.15 -0.04 2.12 2.22 3h1jP1 VAL 40 HG13 -0.06 -0.02 -0.06 -0.04 0.97 0.78 3h1jP1 VAL 40 HG23 -0.04 0.05 0.02 -0.04 0.95 0.94 3h1jP1 CYS 41 H -0.33 0.76 -0.19 -0.55 8.50 8.19 3h1jP1 CYS 41 HA -0.30 -0.04 0.39 -0.75 4.58 3.89 3h1jP1 CYS 41 HB2 -1.11 0.18 0.22 -0.04 2.97 2.22 3h1jP1 CYS 41 HB3 -1.26 -0.06 -0.03 -0.04 2.97 1.58 3h1jP1 LEU 42 H -0.49 0.65 -0.03 -0.55 8.37 7.95 3h1jP1 LEU 42 HA 0.14 -0.04 0.35 -0.75 4.35 4.05 3h1jP1 LEU 42 HB2 -0.00 0.03 0.14 -0.04 1.64 1.77 3h1jP1 LEU 42 HB3 -0.09 0.13 0.19 -0.04 1.64 1.83 3h1jP1 LEU 42 HG -0.08 -0.03 -0.12 -0.04 1.64 1.37 3h1jP1 LEU 42 HD13 0.06 -0.00 0.10 -0.04 0.93 1.05 3h1jP1 LEU 42 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.78 3h1jP1 MET 43 H -0.12 0.55 -0.14 -0.55 8.47 8.21 3h1jP1 MET 43 HA -0.07 -0.02 0.40 -0.75 4.52 4.08 3h1jP1 MET 43 HB2 -0.07 0.09 0.15 -0.04 2.15 2.28 3h1jP1 MET 43 HB3 -0.04 -0.06 0.01 -0.04 2.03 1.90 3h1jP1 MET 43 HG2 -0.06 0.15 -0.04 -0.04 2.63 2.63 3h1jP1 MET 43 HG3 -0.04 -0.05 -0.02 -0.04 2.56 2.41 3h1jP1 MET 43 HE3 -0.03 -0.01 -0.00 -0.04 2.10 2.02 3h1jP1 THR 44 H -0.09 0.82 0.00 -0.55 8.28 8.47 3h1jP1 THR 44 HA -0.01 -0.06 0.38 -0.75 4.39 3.94 3h1jP1 THR 44 HB -0.07 0.10 0.19 -0.04 4.32 4.49 3h1jP1 THR 44 HG23 0.08 -0.03 -0.09 -0.04 1.22 1.14 3h1jP1 GLN 45 H -0.03 0.92 -0.05 -0.55 8.47 8.76 3h1jP1 GLN 45 HA 0.12 -0.01 0.41 -0.75 4.36 4.13 3h1jP1 GLN 45 HB2 0.07 0.11 0.15 -0.04 2.15 2.44 3h1jP1 GLN 45 HB3 0.05 -0.03 -0.02 -0.04 2.02 1.97 3h1jP1 GLN 45 HG2 0.07 0.07 -0.07 -0.04 2.40 2.43 3h1jP1 GLN 45 HG3 0.26 -0.04 -0.10 -0.04 2.39 2.47 3h1jP1 GLN 45 HE21 -0.51 0.24 0.08 -0.04 6.97 6.73 3h1jP1 GLN 45 HE22 -0.16 -0.02 -0.03 -0.04 7.69 7.43 3h1jP1 ILE 46 H -0.06 0.63 -0.00 -0.55 8.25 8.27 3h1jP1 ILE 46 HA -0.18 -0.01 0.37 -0.75 4.18 3.61 3h1jP1 ILE 46 HB -0.14 0.14 0.21 -0.04 1.89 2.06 3h1jP1 ILE 46 HG12 -0.50 -0.06 0.04 -0.04 1.49 0.93 3h1jP1 ILE 46 HG13 -0.20 0.20 0.16 -0.04 1.21 1.33 3h1jP1 ILE 46 HG23 -0.23 -0.02 -0.10 -0.04 0.93 0.54 3h1jP1 ILE 46 HD13 -0.39 -0.02 -0.10 -0.04 0.88 0.33 3h1jP1 LEU 47 H -0.03 0.65 -0.16 -0.55 8.37 8.28 3h1jP1 LEU 47 HA -0.02 -0.02 0.47 -0.75 4.35 4.03 3h1jP1 LEU 47 HB2 -0.02 -0.02 0.09 -0.04 1.64 1.65 3h1jP1 LEU 47 HB3 -0.01 0.14 0.18 -0.04 1.64 1.91 3h1jP1 LEU 47 HG -0.01 0.00 -0.12 -0.04 1.64 1.48 3h1jP1 LEU 47 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.82 3h1jP1 LEU 47 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.79 3h1jP1 THR 48 H 0.05 0.75 0.09 -0.55 8.28 8.62 3h1jP1 THR 48 HA 0.00 -0.02 0.46 -0.75 4.39 4.07 3h1jP1 THR 48 HB 0.08 0.00 0.05 -0.04 4.32 4.41 3h1jP1 THR 48 HG23 0.06 -0.00 0.02 -0.04 1.22 1.26 3h1jP1 GLY 49 H 0.00 0.77 -0.22 -0.55 8.43 8.44 3h1jP1 GLY 49 HA2 -0.59 -0.04 0.36 -0.51 4.01 3.23 3h1jP1 GLY 49 HA3 -0.20 0.10 0.28 -0.51 4.01 3.68 3h1jP1 LEU 50 H -0.11 0.75 0.05 -0.55 8.37 8.52 3h1jP1 LEU 50 HA -0.12 -0.02 0.40 -0.75 4.35 3.86 3h1jP1 LEU 50 HB2 -0.01 0.11 0.19 -0.04 1.64 1.89 3h1jP1 LEU 50 HB3 0.02 -0.06 0.00 -0.04 1.64 1.56 3h1jP1 LEU 50 HG -0.09 0.16 0.14 -0.04 1.64 1.80 3h1jP1 LEU 50 HD13 0.08 -0.03 -0.02 -0.04 0.93 0.93 3h1jP1 LEU 50 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.85 3h1jP1 LEU 51 H -0.02 0.48 -0.25 -0.55 8.37 8.03 3h1jP1 LEU 51 HA 0.05 -0.04 0.35 -0.75 4.35 3.95 3h1jP1 LEU 51 HB2 -0.00 0.17 0.21 -0.04 1.64 1.98 3h1jP1 LEU 51 HB3 0.04 -0.06 -0.01 -0.04 1.64 1.57 3h1jP1 LEU 51 HG 0.01 0.06 0.07 -0.04 1.64 1.74 3h1jP1 LEU 51 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.83 3h1jP1 LEU 51 HD23 0.05 -0.02 0.02 -0.04 0.89 0.90 3h1jP1 LEU 52 H -0.05 0.58 -0.15 -0.55 8.37 8.20 3h1jP1 LEU 52 HA 0.11 0.02 0.49 -0.75 4.35 4.21 3h1jP1 LEU 52 HB2 -0.15 0.10 0.16 -0.04 1.64 1.70 3h1jP1 LEU 52 HB3 -0.02 -0.09 -0.03 -0.04 1.64 1.45 3h1jP1 LEU 52 HG -0.09 0.18 -0.09 -0.04 1.64 1.60 3h1jP1 LEU 52 HD13 -0.10 -0.02 -0.06 -0.04 0.93 0.71 3h1jP1 LEU 52 HD23 0.01 -0.04 -0.14 -0.04 0.89 0.69 3h1jP1 ALA 53 H 0.01 0.91 0.09 -0.55 8.40 8.87 3h1jP1 ALA 53 HA 0.22 -0.09 0.34 -0.75 4.34 4.05 3h1jP1 ALA 53 HB3 0.29 0.00 0.09 -0.04 1.41 1.75 3h1jP1 MET 54 H 0.07 0.41 -0.70 -0.55 8.47 7.71 3h1jP1 MET 54 HA 0.00 -0.02 0.40 -0.75 4.52 4.15 3h1jP1 MET 54 HB2 -0.29 0.14 0.04 -0.04 2.15 1.99 3h1jP1 MET 54 HB3 -0.24 -0.12 0.10 -0.04 2.03 1.72 3h1jP1 MET 54 HG2 0.03 -0.08 -0.01 -0.04 2.63 2.53 3h1jP1 MET 54 HG3 0.03 0.22 0.10 -0.04 2.56 2.87 3h1jP1 MET 54 HE3 0.03 -0.03 -0.04 -0.04 2.10 2.02 3h1jP1 HIS 55 H 0.15 0.73 -0.17 -0.55 8.41 8.58 3h1jP1 HIS 55 HA 0.06 0.16 0.94 -0.75 4.63 5.04 3h1jP1 HIS 55 HB2 0.10 0.05 0.10 -0.04 3.26 3.47 3h1jP1 HIS 55 HB3 0.17 -0.08 0.17 -0.04 3.20 3.42 3h1jP1 HIS 55 HD2 0.16 -0.04 -0.00 -0.04 6.97 7.04 3h1jP1 HIS 55 HE1 0.04 -0.02 -0.01 -0.04 7.75 7.71 3h1jP1 TYR 56 H 0.16 0.28 -0.16 -0.55 8.29 8.02 3h1jP1 TYR 56 HA -0.05 0.09 0.57 -0.75 4.56 4.42 3h1jP1 TYR 56 HB2 -0.06 0.04 -0.08 -0.04 3.06 2.92 3h1jP1 TYR 56 HB3 -0.25 0.07 0.03 -0.04 2.98 2.78 3h1jP1 TYR 56 HD2 -0.74 0.03 -0.11 -0.04 7.15 6.28 3h1jP1 TYR 56 HE2 -0.25 0.04 -0.09 -0.04 6.85 6.51 3h1jP1 THR 57 H -1.26 0.18 0.03 -0.55 8.28 6.68 3h1jP1 THR 57 HA -0.40 0.18 0.73 -0.75 4.39 4.15 3h1jP1 THR 57 HB -0.34 -0.02 -0.01 -0.04 4.32 3.91 3h1jP1 THR 57 HG23 -0.22 -0.03 -0.21 -0.04 1.22 0.71 3h1jP1 ALA 58 H -0.43 0.23 -0.02 -0.55 8.40 7.64 3h1jP1 ALA 58 HA -0.41 0.09 0.42 -0.75 4.34 3.69 3h1jP1 ALA 58 HB3 -0.04 0.01 0.08 -0.04 1.41 1.42 3h1jP1 ASP 59 H -0.40 0.49 0.33 -0.55 8.40 8.28 3h1jP1 ASP 59 HA -0.26 0.07 0.59 -0.75 4.63 4.29 3h1jP1 ASP 59 HB2 -0.18 0.18 -0.30 -0.04 2.71 2.37 3h1jP1 ASP 59 HB3 -0.20 -0.06 -0.03 -0.04 2.70 2.38 3h1jP1 THR 60 H -0.36 0.16 0.18 -0.55 8.28 7.71 3h1jP1 THR 60 HA -0.88 0.13 0.44 -0.75 4.39 3.32 3h1jP1 THR 60 HB 0.05 0.12 0.06 -0.04 4.32 4.51 3h1jP1 THR 60 HG23 -0.38 -0.00 0.06 -0.04 1.22 0.86 3h1jP1 SER 61 H -0.12 0.04 -0.18 -0.55 8.46 7.65 3h1jP1 SER 61 HA -0.01 0.15 0.46 -0.75 4.49 4.33 3h1jP1 SER 61 HB2 -0.03 0.05 0.13 -0.04 3.95 4.06 3h1jP1 SER 61 HB3 -0.04 -0.04 0.10 -0.04 3.93 3.90 3h1jP1 LEU 62 H -0.15 0.48 -0.30 -0.55 8.37 7.86 3h1jP1 LEU 62 HA -0.03 0.19 1.01 -0.75 4.35 4.76 3h1jP1 LEU 62 HB2 -0.17 0.01 -0.01 -0.04 1.64 1.42 3h1jP1 LEU 62 HB3 -0.13 0.01 0.03 -0.04 1.64 1.50 3h1jP1 LEU 62 HG -0.08 -0.12 -0.41 -0.04 1.64 0.99 3h1jP1 LEU 62 HD13 -0.10 0.00 -0.08 -0.04 0.93 0.71 3h1jP1 LEU 62 HD23 -0.05 0.04 0.02 -0.04 0.89 0.86 3h1jP1 ALA 63 H -0.21 0.78 0.31 -0.55 8.40 8.73 3h1jP1 ALA 63 HA -0.38 0.05 0.51 -0.75 4.34 3.77 3h1jP1 ALA 63 HB3 -0.11 0.01 0.11 -0.04 1.41 1.38 3h1jP1 PHE 64 H 0.28 0.15 0.00 -0.55 8.34 8.22 3h1jP1 PHE 64 HA 0.11 0.24 0.45 -0.75 4.62 4.67 3h1jP1 PHE 64 HB2 0.18 0.14 0.21 -0.04 3.15 3.64 3h1jP1 PHE 64 HB3 0.09 -0.10 0.10 -0.04 3.06 3.10 3h1jP1 PHE 64 HD2 0.07 0.06 -0.26 -0.04 7.28 7.10 3h1jP1 PHE 64 HE2 0.04 -0.03 -0.20 -0.04 7.38 7.15 3h1jP1 PHE 64 HZ 0.10 0.16 -0.07 -0.04 7.32 7.46 3h1jP1 SER 65 H 0.21 0.13 -0.24 -0.55 8.46 8.02 3h1jP1 SER 65 HA 0.14 0.04 0.54 -0.75 4.49 4.45 3h1jP1 SER 65 HB2 0.08 -0.02 0.05 -0.04 3.95 4.02 3h1jP1 SER 65 HB3 0.16 -0.01 0.11 -0.04 3.93 4.15 3h1jP1 SER 66 H -0.01 0.68 -0.06 -0.55 8.46 8.53 3h1jP1 SER 66 HA 0.01 -0.01 0.48 -0.75 4.49 4.21 3h1jP1 SER 66 HB2 -0.07 0.19 0.12 -0.04 3.95 4.16 3h1jP1 SER 66 HB3 -0.14 -0.01 0.11 -0.04 3.93 3.84 3h1jP1 VAL 67 H 0.03 0.52 -0.07 -0.55 8.24 8.16 3h1jP1 VAL 67 HA 0.09 0.05 0.41 -0.75 4.13 3.92 3h1jP1 VAL 67 HB -0.15 0.14 0.14 -0.04 2.12 2.21 3h1jP1 VAL 67 HG13 -0.02 -0.03 -0.03 -0.04 0.97 0.85 3h1jP1 VAL 67 HG23 0.14 0.08 0.04 -0.04 0.95 1.17 3h1jP1 ALA 68 H -0.08 0.43 -0.12 -0.55 8.40 8.08 3h1jP1 ALA 68 HA -0.03 -0.00 0.42 -0.75 4.34 3.98 3h1jP1 ALA 68 HB3 0.01 0.05 0.15 -0.04 1.41 1.58 3h1jP1 HIS 69 H 0.14 0.80 -0.04 -0.55 8.41 8.76 3h1jP1 HIS 69 HA 0.02 -0.06 0.39 -0.75 4.63 4.22 3h1jP1 HIS 69 HB2 0.02 -0.05 0.13 -0.04 3.26 3.31 3h1jP1 HIS 69 HB3 0.01 0.16 0.24 -0.04 3.20 3.57 3h1jP1 HIS 69 HD2 0.03 0.19 -0.14 -0.04 6.97 7.02 3h1jP1 HIS 69 HE1 0.03 -0.02 -0.04 -0.04 7.75 7.68 3h1jP1 THR 70 H 0.13 0.62 -0.25 -0.55 8.28 8.23 3h1jP1 THR 70 HA -0.12 -0.05 0.41 -0.75 4.39 3.88 3h1jP1 THR 70 HB 0.05 0.19 0.20 -0.04 4.32 4.71 3h1jP1 THR 70 HG23 -0.04 -0.04 -0.14 -0.04 1.22 0.96 3h1jP1 CYS 71 H 0.01 0.56 -0.13 -0.55 8.50 8.39 3h1jP1 CYS 71 HA 0.10 -0.13 0.24 -0.75 4.58 4.03 3h1jP1 CYS 71 HB2 0.06 0.12 0.15 -0.04 2.97 3.26 3h1jP1 CYS 71 HB3 0.15 -0.09 0.03 -0.04 2.97 3.01 3h1jP1 ARG 72 H -0.02 0.67 0.01 -0.55 8.46 8.56 3h1jP1 ARG 72 HA -0.00 0.08 0.67 -0.75 4.34 4.34 3h1jP1 ARG 72 HB2 -0.01 0.03 0.04 -0.04 1.90 1.92 3h1jP1 ARG 72 HB3 -0.01 -0.06 0.04 -0.04 1.80 1.72 3h1jP1 ARG 72 HG2 0.01 -0.04 -0.00 -0.04 1.67 1.60 3h1jP1 ARG 72 HG3 0.03 -0.01 -0.01 -0.04 1.67 1.64 3h1jP1 ARG 72 HD2 0.05 0.00 -0.10 -0.04 3.22 3.13 3h1jP1 ARG 72 HD3 0.04 -0.04 -0.04 -0.04 3.22 3.14 3h1jP1 ASN 73 H -0.26 0.84 0.08 -0.55 8.53 8.65 3h1jP1 ASN 73 HA -0.11 0.17 1.08 -0.75 4.76 5.14 3h1jP1 ASN 73 HB2 -0.90 0.09 0.11 -0.04 2.88 2.14 3h1jP1 ASN 73 HB3 -0.17 -0.08 0.03 -0.04 2.79 2.54 3h1jP1 ASN 73 HD21 0.10 -0.04 -0.02 -0.04 7.03 7.02 3h1jP1 ASN 73 HD22 0.03 0.01 0.07 -0.04 7.74 7.80 3h1jP1 VAL 74 H -0.36 0.36 0.17 -0.55 8.24 7.86 3h1jP1 VAL 74 HA -0.16 -0.01 0.52 -0.75 4.13 3.73 3h1jP1 VAL 74 HB -0.28 0.21 0.28 -0.04 2.12 2.29 3h1jP1 VAL 74 HG13 -0.45 0.02 -0.07 -0.04 0.97 0.43 3h1jP1 VAL 74 HG23 -0.47 0.01 0.08 -0.04 0.95 0.53 3h1jP1 GLN 75 H -0.06 0.11 0.21 -0.55 8.47 8.19 3h1jP1 GLN 75 HA -0.15 0.03 0.38 -0.75 4.36 3.87 3h1jP1 GLN 75 HB2 0.04 -0.00 0.15 -0.04 2.15 2.30 3h1jP1 GLN 75 HB3 -0.02 -0.01 0.04 -0.04 2.02 1.99 3h1jP1 GLN 75 HG2 -0.03 0.07 0.19 -0.04 2.40 2.59 3h1jP1 GLN 75 HG3 0.02 -0.01 0.10 -0.04 2.39 2.47 3h1jP1 GLN 75 HE21 -0.03 -0.03 0.04 -0.04 6.97 6.92 3h1jP1 GLN 75 HE22 -0.04 0.09 0.06 -0.04 7.69 7.76 3h1jP1 TYR 76 H -0.37 0.14 0.22 -0.55 8.29 7.73 3h1jP1 TYR 76 HA -0.48 -0.05 0.40 -0.75 4.56 3.68 3h1jP1 TYR 76 HB2 -0.15 0.29 -0.02 -0.04 3.06 3.13 3h1jP1 TYR 76 HB3 -0.35 -0.09 0.22 -0.04 2.98 2.72 3h1jP1 TYR 76 HD2 -0.18 0.01 -0.07 -0.04 7.15 6.88 3h1jP1 TYR 76 HE2 0.08 0.01 0.00 -0.04 6.85 6.90 3h1jP1 GLY 77 H -0.09 0.81 -0.36 -0.55 8.43 8.25 3h1jP1 GLY 77 HA2 -0.11 -0.01 0.29 -0.51 4.01 3.67 3h1jP1 GLY 77 HA3 -0.09 0.51 0.28 -0.51 4.01 4.19 3h1jP1 TRP 78 H 0.18 0.24 -0.07 -0.55 7.97 7.77 3h1jP1 TRP 78 HA 0.00 0.04 0.39 -0.75 4.62 4.30 3h1jP1 TRP 78 HB2 0.01 0.00 0.04 -0.04 3.23 3.24 3h1jP1 TRP 78 HB3 -0.02 0.22 0.17 -0.04 3.23 3.56 3h1jP1 TRP 78 HD1 -0.10 0.17 0.11 -0.04 7.22 7.36 3h1jP1 TRP 78 HE1 -0.17 -0.03 0.08 -0.04 10.20 10.04 3h1jP1 TRP 78 HE3 0.01 0.01 -0.29 -0.04 7.59 7.29 3h1jP1 TRP 78 HZ2 0.10 -0.01 0.03 -0.04 7.44 7.52 3h1jP1 TRP 78 HZ3 -0.03 0.10 -0.01 -0.04 7.13 7.15 3h1jP1 TRP 78 HH2 -0.01 0.01 0.02 -0.04 7.19 7.17 3h1jP1 LEU 79 H -1.79 0.08 -0.27 -0.55 8.37 5.84 3h1jP1 LEU 79 HA -0.71 0.07 0.40 -0.75 4.35 3.35 3h1jP1 LEU 79 HB2 -2.12 -0.02 0.11 -0.04 1.64 -0.43 3h1jP1 LEU 79 HB3 -0.82 0.16 0.18 -0.04 1.64 1.12 3h1jP1 LEU 79 HG -0.36 0.01 -0.24 -0.04 1.64 1.01 3h1jP1 LEU 79 HD13 -0.35 -0.01 0.01 -0.04 0.93 0.54 3h1jP1 LEU 79 HD23 -0.36 -0.00 0.00 -0.04 0.89 0.49 3h1jP1 ILE 80 H -0.30 0.60 -0.07 -0.55 8.25 7.92 3h1jP1 ILE 80 HA -0.09 -0.03 0.38 -0.75 4.18 3.69 3h1jP1 ILE 80 HB -0.08 0.15 0.12 -0.04 1.89 2.04 3h1jP1 ILE 80 HG12 -0.09 -0.09 0.03 -0.04 1.49 1.31 3h1jP1 ILE 80 HG13 -0.15 0.11 0.09 -0.04 1.21 1.22 3h1jP1 ILE 80 HG23 -0.01 -0.03 -0.11 -0.04 0.93 0.74 3h1jP1 ILE 80 HD13 -0.03 -0.00 -0.07 -0.04 0.88 0.74 3h1jP1 ARG 81 H -0.03 0.67 -0.14 -0.55 8.46 8.41 3h1jP1 ARG 81 HA 0.08 0.01 0.40 -0.75 4.34 4.08 3h1jP1 ARG 81 HB2 0.05 0.12 0.09 -0.04 1.90 2.11 3h1jP1 ARG 81 HB3 0.10 0.09 0.09 -0.04 1.80 2.04 3h1jP1 ARG 81 HG2 0.06 -0.03 0.03 -0.04 1.67 1.69 3h1jP1 ARG 81 HG3 0.05 0.01 -0.02 -0.04 1.67 1.67 3h1jP1 ARG 81 HD2 0.10 0.04 -0.18 -0.04 3.22 3.14 3h1jP1 ARG 81 HD3 0.12 -0.11 -0.12 -0.04 3.22 3.07 3h1jP1 ASN 82 H 0.05 0.55 -0.22 -0.55 8.53 8.37 3h1jP1 ASN 82 HA 0.14 -0.01 0.43 -0.75 4.76 4.57 3h1jP1 ASN 82 HB2 0.04 0.13 0.24 -0.04 2.88 3.25 3h1jP1 ASN 82 HB3 0.09 -0.03 0.05 -0.04 2.79 2.86 3h1jP1 ASN 82 HD21 0.34 -0.09 -0.00 -0.04 7.03 7.24 3h1jP1 ASN 82 HD22 0.32 0.16 0.05 -0.04 7.74 8.22 3h1jP1 LEU 83 H -0.01 0.78 0.06 -0.55 8.37 8.65 3h1jP1 LEU 83 HA 0.06 -0.02 0.39 -0.75 4.35 4.02 3h1jP1 LEU 83 HB2 0.03 0.10 0.12 -0.04 1.64 1.85 3h1jP1 LEU 83 HB3 0.11 -0.07 0.02 -0.04 1.64 1.66 3h1jP1 LEU 83 HG -0.14 0.15 0.08 -0.04 1.64 1.69 3h1jP1 LEU 83 HD13 -0.14 -0.03 -0.12 -0.04 0.93 0.60 3h1jP1 LEU 83 HD23 -0.34 -0.02 -0.03 -0.04 0.89 0.47 3h1jP1 HIS 84 H 0.19 0.55 -0.39 -0.55 8.41 8.21 3h1jP1 HIS 84 HA 0.12 -0.00 0.43 -0.75 4.63 4.42 3h1jP1 HIS 84 HB2 0.06 0.11 0.04 -0.04 3.26 3.43 3h1jP1 HIS 84 HB3 0.08 0.09 0.09 -0.04 3.20 3.41 3h1jP1 HIS 84 HD2 0.09 0.01 -0.13 -0.04 6.97 6.90 3h1jP1 HIS 84 HE1 0.01 0.02 -0.05 -0.04 7.75 7.69 3h1jP1 ALA 85 H 0.20 0.75 0.04 -0.55 8.40 8.84 3h1jP1 ALA 85 HA 0.13 0.01 0.46 -0.75 4.34 4.18 3h1jP1 ALA 85 HB3 0.17 0.01 0.12 -0.04 1.41 1.67 3h1jP1 ASN 86 H 0.25 0.90 0.03 -0.55 8.53 9.16 3h1jP1 ASN 86 HA 0.38 -0.00 0.53 -0.75 4.76 4.91 3h1jP1 ASN 86 HB2 0.39 0.14 0.08 -0.04 2.88 3.45 3h1jP1 ASN 86 HB3 0.65 -0.09 0.04 -0.04 2.79 3.34 3h1jP1 ASN 86 HD21 0.25 0.13 -0.01 -0.04 7.03 7.36 3h1jP1 ASN 86 HD22 0.41 -0.13 0.02 -0.04 7.74 8.00 3h1jP1 GLY 87 H 0.31 0.57 -0.30 -0.55 8.43 8.46 3h1jP1 GLY 87 HA2 -0.32 -0.06 0.42 -0.51 4.01 3.54 3h1jP1 GLY 87 HA3 0.05 0.16 0.31 -0.51 4.01 4.03 3h1jP1 ALA 88 H 0.06 0.51 -0.32 -0.55 8.40 8.10 3h1jP1 ALA 88 HA 0.06 -0.00 0.33 -0.75 4.34 3.97 3h1jP1 ALA 88 HB3 -0.01 0.08 0.12 -0.04 1.41 1.56 3h1jP1 SER 89 H 0.27 0.32 -0.35 -0.55 8.46 8.15 3h1jP1 SER 89 HA 0.26 -0.01 0.50 -0.75 4.49 4.48 3h1jP1 SER 89 HB2 0.48 0.23 0.22 -0.04 3.95 4.84 3h1jP1 SER 89 HB3 0.62 -0.07 0.02 -0.04 3.93 4.46 3h1jP1 PHE 90 H 0.44 0.66 0.08 -0.55 8.34 8.97 3h1jP1 PHE 90 HA 0.15 -0.06 0.44 -0.75 4.62 4.40 3h1jP1 PHE 90 HB2 -0.46 0.14 0.14 -0.04 3.15 2.92 3h1jP1 PHE 90 HB3 -0.22 -0.05 0.06 -0.04 3.06 2.81 3h1jP1 PHE 90 HD2 0.11 0.13 0.07 -0.04 7.28 7.55 3h1jP1 PHE 90 HE2 0.24 0.03 0.01 -0.04 7.38 7.62 3h1jP1 PHE 90 HZ 0.20 -0.01 -0.27 -0.04 7.32 7.20 3h1jP1 PHE 91 H 0.21 0.42 -0.76 -0.55 8.34 7.66 3h1jP1 PHE 91 HA -0.12 -0.01 0.44 -0.75 4.62 4.18 3h1jP1 PHE 91 HB2 -0.13 0.15 0.07 -0.04 3.15 3.20 3h1jP1 PHE 91 HB3 -0.29 0.12 0.10 -0.04 3.06 2.96 3h1jP1 PHE 91 HD2 -0.26 -0.02 -0.08 -0.04 7.28 6.87 3h1jP1 PHE 91 HE2 -0.22 -0.02 -0.06 -0.04 7.38 7.04 3h1jP1 PHE 91 HZ -0.19 -0.02 -0.00 -0.04 7.32 7.07 3h1jP1 PHE 92 H 0.20 0.47 0.05 -0.55 8.34 8.51 3h1jP1 PHE 92 HA -0.45 0.01 0.45 -0.75 4.62 3.88 3h1jP1 PHE 92 HB2 -0.42 0.08 0.23 -0.04 3.15 3.01 3h1jP1 PHE 92 HB3 -0.58 -0.05 0.02 -0.04 3.06 2.41 3h1jP1 PHE 92 HD2 -0.76 0.24 0.08 -0.04 7.28 6.80 3h1jP1 PHE 92 HE2 -0.45 0.01 -0.04 -0.04 7.38 6.86 3h1jP1 PHE 92 HZ -0.32 0.05 -0.11 -0.04 7.32 6.90 3h1jP1 ILE 93 H 0.29 0.82 0.01 -0.55 8.25 8.82 3h1jP1 ILE 93 HA 0.44 0.01 0.35 -0.75 4.18 4.22 3h1jP1 ILE 93 HB -0.01 0.02 0.16 -0.04 1.89 2.01 3h1jP1 ILE 93 HG12 0.06 -0.03 -0.01 -0.04 1.49 1.47 3h1jP1 ILE 93 HG13 0.33 0.18 -0.06 -0.04 1.21 1.62 3h1jP1 ILE 93 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.79 3h1jP1 ILE 93 HD13 -0.78 -0.01 -0.07 -0.04 0.88 -0.02 3h1jP1 CYS 94 H 0.09 0.56 -0.16 -0.55 8.50 8.44 3h1jP1 CYS 94 HA -0.02 -0.07 0.34 -0.75 4.58 4.06 3h1jP1 CYS 94 HB2 0.02 0.24 0.17 -0.04 2.97 3.36 3h1jP1 CYS 94 HB3 0.13 -0.10 -0.02 -0.04 2.97 2.94 3h1jP1 ILE 95 H -0.06 0.75 -0.10 -0.55 8.25 8.29 3h1jP1 ILE 95 HA -0.03 -0.05 0.34 -0.75 4.18 3.69 3h1jP1 ILE 95 HB -0.17 0.14 0.12 -0.04 1.89 1.93 3h1jP1 ILE 95 HG12 -0.12 -0.06 0.01 -0.04 1.49 1.28 3h1jP1 ILE 95 HG13 -0.13 -0.04 0.03 -0.04 1.21 1.04 3h1jP1 ILE 95 HG23 -0.61 0.03 -0.00 -0.04 0.93 0.30 3h1jP1 ILE 95 HD13 -0.31 0.00 -0.04 -0.04 0.88 0.49 3h1jP1 PHE 96 H -0.04 0.76 -0.17 -0.55 8.34 8.34 3h1jP1 PHE 96 HA 0.00 -0.00 0.45 -0.75 4.62 4.32 3h1jP1 PHE 96 HB2 0.10 0.21 0.23 -0.04 3.15 3.65 3h1jP1 PHE 96 HB3 0.04 -0.09 0.02 -0.04 3.06 2.98 3h1jP1 PHE 96 HD2 0.19 -0.05 -0.05 -0.04 7.28 7.34 3h1jP1 PHE 96 HE2 0.22 -0.05 -0.01 -0.04 7.38 7.50 3h1jP1 PHE 96 HZ 0.46 0.21 0.08 -0.04 7.32 8.03 3h1jP1 LEU 97 H 0.04 0.57 -0.00 -0.55 8.37 8.43 3h1jP1 LEU 97 HA 0.04 -0.01 0.46 -0.75 4.35 4.09 3h1jP1 LEU 97 HB2 -0.91 0.09 0.12 -0.04 1.64 0.90 3h1jP1 LEU 97 HB3 -0.32 -0.09 0.03 -0.04 1.64 1.22 3h1jP1 LEU 97 HG -0.04 0.21 0.05 -0.04 1.64 1.81 3h1jP1 LEU 97 HD13 -0.22 -0.02 -0.06 -0.04 0.93 0.59 3h1jP1 LEU 97 HD23 0.23 -0.02 -0.00 -0.04 0.89 1.06 3h1jP1 HIS 98 H 0.04 0.69 -0.16 -0.55 8.41 8.43 3h1jP1 HIS 98 HA 0.11 -0.06 0.35 -0.75 4.63 4.27 3h1jP1 HIS 98 HB2 0.08 0.03 0.02 -0.04 3.26 3.36 3h1jP1 HIS 98 HB3 0.00 0.22 0.16 -0.04 3.20 3.54 3h1jP1 HIS 98 HD2 -0.02 0.05 -0.09 -0.04 6.97 6.86 3h1jP1 HIS 98 HE1 0.11 -0.04 -0.03 -0.04 7.75 7.75 3h1jP1 ILE 99 H 0.11 0.68 -0.09 -0.55 8.25 8.40 3h1jP1 ILE 99 HA -0.01 -0.03 0.32 -0.75 4.18 3.71 3h1jP1 ILE 99 HB 0.10 0.13 0.16 -0.04 1.89 2.24 3h1jP1 ILE 99 HG12 -0.14 -0.08 0.02 -0.04 1.49 1.25 3h1jP1 ILE 99 HG13 0.03 0.41 0.13 -0.04 1.21 1.74 3h1jP1 ILE 99 HG23 0.01 -0.02 -0.07 -0.04 0.93 0.80 3h1jP1 ILE 99 HD13 -0.00 -0.02 -0.02 -0.04 0.88 0.79 3h1jP1 GLY 100 H 0.06 0.60 -0.13 -0.55 8.43 8.41 3h1jP1 GLY 100 HA2 0.09 -0.01 0.42 -0.51 4.01 4.00 3h1jP1 GLY 100 HA3 0.01 0.03 0.36 -0.51 4.01 3.90 3h1jP1 ARG 101 H -0.02 0.70 0.07 -0.55 8.46 8.65 3h1jP1 ARG 101 HA -0.15 -0.09 0.38 -0.75 4.34 3.73 3h1jP1 ARG 101 HB2 0.16 -0.06 0.19 -0.04 1.90 2.14 3h1jP1 ARG 101 HB3 -0.08 0.21 0.20 -0.04 1.80 2.09 3h1jP1 ARG 101 HG2 -0.27 -0.17 -0.01 -0.04 1.67 1.18 3h1jP1 ARG 101 HG3 -0.54 0.40 0.04 -0.04 1.67 1.54 3h1jP1 ARG 101 HD2 -0.24 -0.01 -1.49 -0.04 3.22 1.44 3h1jP1 ARG 101 HD3 -1.20 -0.07 -0.22 -0.04 3.22 1.68 3h1jP1 GLY 102 H 0.01 0.54 -0.34 -0.55 8.43 8.09 3h1jP1 GLY 102 HA2 -0.02 -0.09 0.34 -0.51 4.01 3.73 3h1jP1 GLY 102 HA3 0.35 0.09 0.27 -0.51 4.01 4.21 3h1jP1 LEU 103 H 0.16 0.60 -0.04 -0.55 8.37 8.54 3h1jP1 LEU 103 HA 0.03 0.00 0.53 -0.75 4.35 4.16 3h1jP1 LEU 103 HB2 0.13 0.02 0.12 -0.04 1.64 1.87 3h1jP1 LEU 103 HB3 0.17 0.06 0.21 -0.04 1.64 2.04 3h1jP1 LEU 103 HG -0.13 -0.02 -0.24 -0.04 1.64 1.21 3h1jP1 LEU 103 HD13 -0.43 -0.00 0.04 -0.04 0.93 0.50 3h1jP1 LEU 103 HD23 -0.07 -0.01 -0.03 -0.04 0.89 0.74 3h1jP1 TYR 104 H -0.10 0.59 0.03 -0.55 8.29 8.27 3h1jP1 TYR 104 HA -0.67 0.03 0.42 -0.75 4.56 3.59 3h1jP1 TYR 104 HB2 -1.38 0.01 0.05 -0.04 3.06 1.70 3h1jP1 TYR 104 HB3 -0.93 0.05 0.09 -0.04 2.98 2.15 3h1jP1 TYR 104 HD2 -2.45 0.03 -0.11 -0.04 7.15 4.57 3h1jP1 TYR 104 HE2 -0.50 0.00 -0.05 -0.04 6.85 6.26 3h1jP1 TYR 105 H -0.03 0.68 -0.09 -0.55 8.29 8.30 3h1jP1 TYR 105 HA -0.17 0.03 0.91 -0.75 4.56 4.58 3h1jP1 TYR 105 HB2 -0.09 0.07 -0.01 -0.04 3.06 2.98 3h1jP1 TYR 105 HB3 0.12 -0.02 0.03 -0.04 2.98 3.08 3h1jP1 TYR 105 HD2 -0.05 0.21 0.06 -0.04 7.15 7.33 3h1jP1 TYR 105 HE2 -0.02 -0.02 0.02 -0.04 6.85 6.80 3h1jP1 GLY 106 H -0.21 0.31 -0.49 -0.55 8.43 7.50 3h1jP1 GLY 106 HA2 -1.40 0.00 0.36 -0.51 4.01 2.47 3h1jP1 GLY 106 HA3 -0.61 0.29 0.42 -0.51 4.01 3.61 3h1jP1 SER 107 H -0.33 0.56 0.01 -0.55 8.46 8.16 3h1jP1 SER 107 HA -0.44 0.11 0.48 -0.75 4.49 3.88 3h1jP1 SER 107 HB2 0.01 -0.01 0.05 -0.04 3.95 3.96 3h1jP1 SER 107 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.89 3h1jP1 TYR 108 H -0.73 0.24 -0.17 -0.55 8.29 7.08 3h1jP1 TYR 108 HA -0.40 0.02 0.25 -0.75 4.56 3.67 3h1jP1 TYR 108 HB2 -1.48 0.03 -0.01 -0.04 3.06 1.55 3h1jP1 TYR 108 HB3 -2.95 -0.00 -0.02 -0.04 2.98 -0.03 3h1jP1 TYR 108 HD2 -0.71 0.00 -0.21 -0.04 7.15 6.19 3h1jP1 TYR 108 HE2 -0.31 0.16 0.08 -0.04 6.85 6.75 3h1jP1 LEU 109 H -0.77 0.32 -0.93 -0.55 8.37 6.44 3h1jP1 LEU 109 HA -0.29 0.10 0.50 -0.75 4.35 3.90 3h1jP1 LEU 109 HB2 -0.56 0.17 0.07 -0.04 1.64 1.28 3h1jP1 LEU 109 HB3 -0.30 -0.06 0.10 -0.04 1.64 1.34 3h1jP1 LEU 109 HG -0.98 -0.01 0.01 -0.04 1.64 0.62 3h1jP1 LEU 109 HD13 -0.56 0.01 0.03 -0.04 0.93 0.36 3h1jP1 LEU 109 HD23 -0.38 -0.00 0.04 -0.04 0.89 0.50 3h1jP1 TYR 110 H -0.12 0.62 -0.38 -0.55 8.29 7.86 3h1jP1 TYR 110 HA -0.05 0.13 0.68 -0.75 4.56 4.56 3h1jP1 TYR 110 HB2 0.01 0.12 0.23 -0.04 3.06 3.38 3h1jP1 TYR 110 HB3 0.01 -0.15 0.14 -0.04 2.98 2.94 3h1jP1 TYR 110 HD2 -0.01 -0.03 -0.02 -0.04 7.15 7.05 3h1jP1 TYR 110 HE2 0.03 -0.06 -0.01 -0.04 6.85 6.76 3h1jP1 LYS 111 H 0.03 0.40 -0.29 -0.55 8.42 8.01 3h1jP1 LYS 111 HA 0.09 0.15 0.30 -0.75 4.32 4.10 3h1jP1 LYS 111 HB2 0.01 -0.04 0.13 -0.04 1.87 1.93 3h1jP1 LYS 111 HB3 0.04 -0.02 -0.02 -0.04 1.79 1.75 3h1jP1 LYS 111 HG2 -0.13 0.08 0.07 -0.04 1.46 1.44 3h1jP1 LYS 111 HG3 -0.06 0.11 0.07 -0.04 1.46 1.54 3h1jP1 LYS 111 HD2 0.04 -0.02 0.03 -0.04 1.69 1.70 3h1jP1 LYS 111 HD3 0.07 -0.04 0.01 -0.04 1.68 1.68 3h1jP1 LYS 111 HE2 0.13 -0.03 -0.01 -0.04 2.99 3.04 3h1jP1 LYS 111 HE3 -0.73 0.00 -0.03 -0.04 2.99 2.18 3h1jP1 GLU 112 H -0.10 0.16 -0.08 -0.55 8.60 8.03 3h1jP1 GLU 112 HA -0.24 0.05 0.42 -0.75 4.29 3.77 3h1jP1 GLU 112 HB2 -0.74 0.03 0.06 -0.04 2.09 1.39 3h1jP1 GLU 112 HB3 -2.34 0.03 0.02 -0.04 1.99 -0.35 3h1jP1 GLU 112 HG2 -0.57 0.04 0.03 -0.04 2.34 1.79 3h1jP1 GLU 112 HG3 -0.28 -0.01 0.02 -0.04 2.34 2.03 3h1jP1 THR 113 H -0.03 0.19 -0.24 -0.55 8.28 7.65 3h1jP1 THR 113 HA 0.06 0.06 0.44 -0.75 4.39 4.19 3h1jP1 THR 113 HB 0.17 0.16 0.09 -0.04 4.32 4.69 3h1jP1 THR 113 HG23 -0.23 0.00 -0.06 -0.04 1.22 0.89 3h1jP1 TRP 114 H 0.31 0.62 -0.11 -0.55 7.97 8.25 3h1jP1 TRP 114 HA 0.12 -0.00 0.36 -0.75 4.62 4.34 3h1jP1 TRP 114 HB2 0.06 -0.03 -0.02 -0.04 3.23 3.21 3h1jP1 TRP 114 HB3 0.04 0.14 0.11 -0.04 3.23 3.47 3h1jP1 TRP 114 HD1 0.03 0.03 -0.11 -0.04 7.22 7.13 3h1jP1 TRP 114 HE1 -0.09 0.62 0.04 -0.04 10.20 10.73 3h1jP1 TRP 114 HE3 0.03 -0.01 -0.15 -0.04 7.59 7.42 3h1jP1 TRP 114 HZ2 -0.12 0.02 0.01 -0.04 7.44 7.31 3h1jP1 TRP 114 HZ3 -0.02 -0.07 -0.06 -0.04 7.13 6.95 3h1jP1 TRP 114 HH2 -0.04 0.07 -0.02 -0.04 7.19 7.16 3h1jP1 ASN 115 H 0.27 0.89 0.07 -0.55 8.53 9.21 3h1jP1 ASN 115 HA 0.26 0.01 0.33 -0.75 4.76 4.61 3h1jP1 ASN 115 HB2 0.11 0.02 0.15 -0.04 2.88 3.12 3h1jP1 ASN 115 HB3 0.28 -0.06 -0.01 -0.04 2.79 2.96 3h1jP1 ASN 115 HD21 0.18 -0.02 -0.05 -0.04 7.03 7.10 3h1jP1 ASN 115 HD22 0.08 -0.08 -0.14 -0.04 7.74 7.56 3h1jP1 THR 116 H 0.11 0.64 -0.17 -0.55 8.28 8.30 3h1jP1 THR 116 HA 0.10 -0.03 0.42 -0.75 4.39 4.13 3h1jP1 THR 116 HB 0.17 -0.07 0.05 -0.04 4.32 4.43 3h1jP1 THR 116 HG23 0.19 0.06 0.04 -0.04 1.22 1.47 3h1jP1 GLY 117 H 0.10 0.45 -0.44 -0.55 8.43 7.99 3h1jP1 GLY 117 HA2 -0.35 -0.07 0.38 -0.51 4.01 3.46 3h1jP1 GLY 117 HA3 -0.15 0.08 0.35 -0.51 4.01 3.78 3h1jP1 VAL 118 H -0.31 0.55 -0.14 -0.55 8.24 7.80 3h1jP1 VAL 118 HA -0.40 -0.02 0.38 -0.75 4.13 3.33 3h1jP1 VAL 118 HB -0.51 0.11 0.09 -0.04 2.12 1.76 3h1jP1 VAL 118 HG13 -0.90 -0.03 -0.05 -0.04 0.97 -0.05 3h1jP1 VAL 118 HG23 -0.75 0.06 -0.08 -0.04 0.95 0.14 3h1jP1 ILE 119 H -0.02 0.49 -0.16 -0.55 8.25 8.01 3h1jP1 ILE 119 HA 0.05 -0.02 0.37 -0.75 4.18 3.82 3h1jP1 ILE 119 HB 0.03 0.17 0.16 -0.04 1.89 2.20 3h1jP1 ILE 119 HG12 0.17 0.27 0.07 -0.04 1.49 1.96 3h1jP1 ILE 119 HG13 0.12 -0.05 0.01 -0.04 1.21 1.24 3h1jP1 ILE 119 HG23 0.04 -0.03 -0.04 -0.04 0.93 0.86 3h1jP1 ILE 119 HD13 0.22 -0.02 -0.02 -0.04 0.88 1.01 3h1jP1 LEU 120 H -0.12 0.64 -0.20 -0.55 8.37 8.14 3h1jP1 LEU 120 HA -0.12 -0.03 0.41 -0.75 4.35 3.86 3h1jP1 LEU 120 HB2 -0.24 0.24 0.24 -0.04 1.64 1.84 3h1jP1 LEU 120 HB3 -0.20 -0.08 -0.00 -0.04 1.64 1.32 3h1jP1 LEU 120 HG -0.12 0.02 -0.02 -0.04 1.64 1.47 3h1jP1 LEU 120 HD13 -0.41 -0.01 -0.14 -0.04 0.93 0.32 3h1jP1 LEU 120 HD23 -0.11 -0.02 -0.02 -0.04 0.89 0.71 3h1jP1 LEU 121 H -0.19 0.62 -0.01 -0.55 8.37 8.24 3h1jP1 LEU 121 HA -0.24 -0.03 0.35 -0.75 4.35 3.68 3h1jP1 LEU 121 HB2 -0.18 0.01 0.11 -0.04 1.64 1.53 3h1jP1 LEU 121 HB3 -0.17 0.13 0.20 -0.04 1.64 1.76 3h1jP1 LEU 121 HG -0.02 -0.02 -0.25 -0.04 1.64 1.30 3h1jP1 LEU 121 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.76 3h1jP1 LEU 121 HD23 -0.00 0.00 -0.00 -0.04 0.89 0.84 3h1jP1 LEU 122 H -0.09 0.73 -0.07 -0.55 8.37 8.39 3h1jP1 LEU 122 HA -0.01 -0.03 0.38 -0.75 4.35 3.94 3h1jP1 LEU 122 HB2 0.00 0.12 0.17 -0.04 1.64 1.89 3h1jP1 LEU 122 HB3 0.03 -0.06 -0.01 -0.04 1.64 1.55 3h1jP1 LEU 122 HG -0.04 0.09 0.03 -0.04 1.64 1.67 3h1jP1 LEU 122 HD13 0.11 -0.02 -0.06 -0.04 0.93 0.92 3h1jP1 LEU 122 HD23 0.02 -0.02 0.01 -0.04 0.89 0.85 3h1jP1 THR 123 H -0.06 0.76 -0.12 -0.55 8.28 8.31 3h1jP1 THR 123 HA -0.01 -0.04 0.45 -0.75 4.39 4.04 3h1jP1 THR 123 HB -0.09 0.10 0.14 -0.04 4.32 4.43 3h1jP1 THR 123 HG23 -0.05 -0.03 -0.12 -0.04 1.22 0.98 3h1jP1 LEU 124 H -0.19 0.87 -0.01 -0.55 8.37 8.50 3h1jP1 LEU 124 HA -0.34 -0.05 0.37 -0.75 4.35 3.59 3h1jP1 LEU 124 HB2 -0.53 -0.03 0.07 -0.04 1.64 1.11 3h1jP1 LEU 124 HB3 -0.44 0.18 0.17 -0.04 1.64 1.51 3h1jP1 LEU 124 HG -1.11 0.00 -0.29 -0.04 1.64 0.20 3h1jP1 LEU 124 HD13 -0.99 -0.03 0.06 -0.04 0.93 -0.07 3h1jP1 LEU 124 HD23 -1.22 -0.02 -0.10 -0.04 0.89 -0.49 3h1jP1 MET 125 H -0.07 0.67 -0.23 -0.55 8.47 8.31 3h1jP1 MET 125 HA 0.43 -0.03 0.37 -0.75 4.52 4.54 3h1jP1 MET 125 HB2 0.05 0.21 0.22 -0.04 2.15 2.59 3h1jP1 MET 125 HB3 0.08 -0.07 -0.01 -0.04 2.03 1.99 3h1jP1 MET 125 HG2 0.51 -0.06 -0.01 -0.04 2.63 3.03 3h1jP1 MET 125 HG3 0.10 0.17 -0.04 -0.04 2.56 2.75 3h1jP1 MET 125 HE3 0.33 -0.01 -0.05 -0.04 2.10 2.33 3h1jP1 ALA 126 H 0.08 0.60 0.04 -0.55 8.40 8.58 3h1jP1 ALA 126 HA 0.26 -0.04 0.36 -0.75 4.34 4.16 3h1jP1 ALA 126 HB3 0.09 0.01 0.11 -0.04 1.41 1.59 3h1jP1 THR 127 H 0.03 0.81 -0.20 -0.55 8.28 8.38 3h1jP1 THR 127 HA 0.07 -0.03 0.34 -0.75 4.39 4.02 3h1jP1 THR 127 HB -0.10 0.11 0.16 -0.04 4.32 4.44 3h1jP1 THR 127 HG23 -0.10 -0.02 -0.11 -0.04 1.22 0.96 3h1jP1 ALA 128 H 0.08 0.74 -0.02 -0.55 8.40 8.65 3h1jP1 ALA 128 HA 0.13 -0.03 0.38 -0.75 4.34 4.08 3h1jP1 ALA 128 HB3 0.08 0.01 0.10 -0.04 1.41 1.55 3h1jP1 PHE 129 H 0.38 0.49 -0.42 -0.55 8.34 8.24 3h1jP1 PHE 129 HA 0.28 -0.02 0.46 -0.75 4.62 4.58 3h1jP1 PHE 129 HB2 0.33 -0.04 0.03 -0.04 3.15 3.43 3h1jP1 PHE 129 HB3 0.16 0.21 0.22 -0.04 3.06 3.61 3h1jP1 PHE 129 HD2 0.17 -0.01 -0.03 -0.04 7.28 7.37 3h1jP1 PHE 129 HE2 0.19 -0.02 -0.22 -0.04 7.38 7.29 3h1jP1 PHE 129 HZ 0.40 0.02 0.02 -0.04 7.32 7.72 3h1jP1 VAL 130 H -0.11 0.55 0.10 -0.55 8.24 8.23 3h1jP1 VAL 130 HA -0.64 -0.03 0.36 -0.75 4.13 3.07 3h1jP1 VAL 130 HB -0.32 -0.02 0.05 -0.04 2.12 1.80 3h1jP1 VAL 130 HG13 -0.78 0.01 0.06 -0.04 0.97 0.22 3h1jP1 VAL 130 HG23 0.06 0.06 0.04 -0.04 0.95 1.08 3h1jP1 GLY 131 H -0.03 0.57 -0.28 -0.55 8.43 8.14 3h1jP1 GLY 131 HA2 -1.01 -0.01 0.32 -0.51 4.01 2.80 3h1jP1 GLY 131 HA3 -0.72 0.08 0.26 -0.51 4.01 3.12 3h1jP1 TYR 132 H 0.14 0.54 -0.20 -0.55 8.29 8.22 3h1jP1 TYR 132 HA 0.01 0.00 0.44 -0.75 4.56 4.26 3h1jP1 TYR 132 HB2 0.06 0.10 0.20 -0.04 3.06 3.37 3h1jP1 TYR 132 HB3 0.11 0.15 0.16 -0.04 2.98 3.37 3h1jP1 TYR 132 HD2 0.08 0.06 0.01 -0.04 7.15 7.26 3h1jP1 TYR 132 HE2 0.03 0.01 -0.04 -0.04 6.85 6.81 3h1jP1 VAL 133 H 0.03 0.45 -0.39 -0.55 8.24 7.79 3h1jP1 VAL 133 HA 0.00 -0.12 0.48 -0.75 4.13 3.73 3h1jP1 VAL 133 HB 0.26 0.21 0.09 -0.04 2.12 2.65 3h1jP1 VAL 133 HG13 0.30 -0.02 -0.02 -0.04 0.97 1.18 3h1jP1 VAL 133 HG23 0.01 0.08 0.01 -0.04 0.95 1.01 3h1jP1 LEU 134 H 0.02 0.52 -0.44 -0.55 8.37 7.92 3h1jP1 LEU 134 HA 0.22 -0.00 0.36 -0.75 4.35 4.17 3h1jP1 LEU 134 HB2 -0.16 0.20 0.09 -0.04 1.64 1.72 3h1jP1 LEU 134 HB3 -0.47 -0.11 -0.02 -0.04 1.64 1.00 3h1jP1 LEU 134 HG -0.10 0.20 0.07 -0.04 1.64 1.77 3h1jP1 LEU 134 HD13 -0.02 -0.02 -0.02 -0.04 0.93 0.83 3h1jP1 LEU 134 HD23 0.23 -0.06 -0.17 -0.04 0.89 0.86 3h1jP1 PRO 135 HA 0.15 0.10 0.46 -0.51 4.44 4.64 3h1jP1 PRO 135 HB2 -0.02 -0.06 -0.01 -0.04 2.28 2.15 3h1jP1 PRO 135 HB3 -0.08 0.03 0.07 -0.04 2.02 2.00 3h1jP1 PRO 135 HG2 0.00 0.03 0.05 -0.04 2.03 2.07 3h1jP1 PRO 135 HG3 -0.00 0.03 -0.02 -0.04 2.03 2.00 3h1jP1 PRO 135 HD2 -0.06 0.40 0.07 -0.04 3.68 4.05 3h1jP1 PRO 135 HD3 -0.01 0.23 0.08 -0.04 3.65 3.91 3h1jP1 TRP 136 H 0.28 0.26 -0.54 -0.55 7.97 7.43 3h1jP1 TRP 136 HA 0.03 0.05 0.31 -0.75 4.62 4.25 3h1jP1 TRP 136 HB2 0.09 0.10 -0.31 -0.04 3.23 3.07 3h1jP1 TRP 136 HB3 0.14 0.01 0.26 -0.04 3.23 3.60 3h1jP1 TRP 136 HD1 0.00 0.05 0.18 -0.04 7.22 7.42 3h1jP1 TRP 136 HE1 -0.04 -0.01 0.03 -0.04 10.20 10.14 3h1jP1 TRP 136 HE3 0.00 0.54 0.09 -0.04 7.59 8.18 3h1jP1 TRP 136 HZ2 0.08 -0.04 -0.12 -0.04 7.44 7.32 3h1jP1 TRP 136 HZ3 -0.17 0.05 -0.06 -0.04 7.13 6.91 3h1jP1 TRP 136 HH2 -0.23 -0.03 -0.08 -0.04 7.19 6.81 3h1jP1 GLY 137 H 0.01 0.02 -0.03 -0.55 8.43 7.88 3h1jP1 GLY 137 HA2 0.12 0.19 0.69 -0.51 4.01 4.50 3h1jP1 GLY 137 HA3 0.13 0.13 0.21 -0.51 4.01 3.97 3h1jP1 GLN 138 H 0.04 0.72 0.22 -0.55 8.47 8.91 3h1jP1 GLN 138 HA 0.05 -0.05 0.37 -0.75 4.36 3.97 3h1jP1 GLN 138 HB2 0.10 0.20 0.25 -0.04 2.15 2.66 3h1jP1 GLN 138 HB3 0.18 -0.02 -0.00 -0.04 2.02 2.13 3h1jP1 GLN 138 HG2 0.02 0.23 -0.11 -0.04 2.40 2.51 3h1jP1 GLN 138 HG3 0.07 -0.01 0.07 -0.04 2.39 2.47 3h1jP1 GLN 138 HE21 0.20 0.69 0.26 -0.04 6.97 8.08 3h1jP1 GLN 138 HE22 0.05 -0.09 0.03 -0.04 7.69 7.65 3h1jP1 MET 139 H 0.08 0.10 -0.22 -0.55 8.47 7.87 3h1jP1 MET 139 HA 0.19 0.11 0.34 -0.75 4.52 4.41 3h1jP1 MET 139 HB2 0.06 -0.03 0.03 -0.04 2.15 2.17 3h1jP1 MET 139 HB3 0.28 0.06 -0.05 -0.04 2.03 2.28 3h1jP1 MET 139 HG2 0.15 -0.08 -0.22 -0.04 2.63 2.44 3h1jP1 MET 139 HG3 0.20 0.04 -0.03 -0.04 2.56 2.73 3h1jP1 MET 139 HE3 0.09 0.01 0.10 -0.04 2.10 2.25 3h1jP1 SER 140 H -0.19 0.01 -0.24 -0.55 8.46 7.49 3h1jP1 SER 140 HA -0.27 0.09 0.24 -0.75 4.49 3.79 3h1jP1 SER 140 HB2 -0.19 0.05 0.19 -0.04 3.95 3.96 3h1jP1 SER 140 HB3 -0.03 0.17 0.16 -0.04 3.93 4.19 3h1jP1 PHE 141 H -0.30 0.55 -0.18 -0.55 8.34 7.85 3h1jP1 PHE 141 HA -0.90 0.02 0.36 -0.75 4.62 3.34 3h1jP1 PHE 141 HB2 -1.14 -0.00 0.02 -0.04 3.15 1.99 3h1jP1 PHE 141 HB3 -0.91 0.10 0.09 -0.04 3.06 2.30 3h1jP1 PHE 141 HD2 -2.27 0.03 -0.20 -0.04 7.28 4.80 3h1jP1 PHE 141 HE2 -0.99 0.05 -0.11 -0.04 7.38 6.29 3h1jP1 PHE 141 HZ -0.49 0.06 -0.00 -0.04 7.32 6.84 3h1jP1 TRP 142 H 0.03 0.61 -0.01 -0.55 7.97 8.05 3h1jP1 TRP 142 HA -0.03 0.01 0.46 -0.75 4.62 4.31 3h1jP1 TRP 142 HB2 0.04 0.08 0.09 -0.04 3.23 3.40 3h1jP1 TRP 142 HB3 0.05 -0.02 0.02 -0.04 3.23 3.25 3h1jP1 TRP 142 HD1 0.02 0.15 0.12 -0.04 7.22 7.47 3h1jP1 TRP 142 HE1 -0.11 0.15 0.05 -0.04 10.20 10.25 3h1jP1 TRP 142 HE3 0.07 -0.04 -0.01 -0.04 7.59 7.57 3h1jP1 TRP 142 HZ2 -0.08 -0.00 -0.35 -0.04 7.44 6.97 3h1jP1 TRP 142 HZ3 0.09 -0.01 -0.05 -0.04 7.13 7.11 3h1jP1 TRP 142 HH2 0.08 0.14 -0.09 -0.04 7.19 7.27 3h1jP1 GLY 143 H 0.14 0.75 -0.24 -0.55 8.43 8.54 3h1jP1 GLY 143 HA2 0.20 0.01 0.43 -0.51 4.01 4.14 3h1jP1 GLY 143 HA3 0.28 0.07 0.26 -0.51 4.01 4.11 3h1jP1 ALA 144 H 0.09 0.63 -0.11 -0.55 8.40 8.46 3h1jP1 ALA 144 HA 0.73 -0.04 0.33 -0.75 4.34 4.61 3h1jP1 ALA 144 HB3 -0.09 0.06 0.14 -0.04 1.41 1.48 3h1jP1 THR 145 H -0.22 0.58 -0.17 -0.55 8.28 7.91 3h1jP1 THR 145 HA 0.01 -0.06 0.27 -0.75 4.39 3.86 3h1jP1 THR 145 HB 0.16 0.16 0.10 -0.04 4.32 4.70 3h1jP1 THR 145 HG23 0.13 -0.03 -0.08 -0.04 1.22 1.20 3h1jP1 VAL 146 H 0.19 0.52 -0.26 -0.55 8.24 8.13 3h1jP1 VAL 146 HA 0.17 0.03 0.46 -0.75 4.13 4.03 3h1jP1 VAL 146 HB 0.12 0.03 0.18 -0.04 2.12 2.41 3h1jP1 VAL 146 HG13 0.07 -0.02 -0.16 -0.04 0.97 0.82 3h1jP1 VAL 146 HG23 0.19 0.07 0.02 -0.04 0.95 1.20 3h1jP1 ILE 147 H 0.10 0.71 0.08 -0.55 8.25 8.59 3h1jP1 ILE 147 HA -0.10 0.02 0.38 -0.75 4.18 3.72 3h1jP1 ILE 147 HB -0.50 0.08 0.09 -0.04 1.89 1.52 3h1jP1 ILE 147 HG12 -0.28 -0.03 0.00 -0.04 1.49 1.14 3h1jP1 ILE 147 HG13 -0.10 0.06 0.08 -0.04 1.21 1.21 3h1jP1 ILE 147 HG23 -0.71 -0.01 -0.14 -0.04 0.93 0.03 3h1jP1 ILE 147 HD13 -0.39 -0.02 -0.06 -0.04 0.88 0.38 3h1jP1 THR 148 H 0.37 0.55 -0.07 -0.55 8.28 8.58 3h1jP1 THR 148 HA 0.38 -0.00 0.34 -0.75 4.39 4.35 3h1jP1 THR 148 HB 0.06 -0.06 -0.05 -0.04 4.32 4.23 3h1jP1 THR 148 HG23 0.72 -0.00 0.01 -0.04 1.22 1.90 3h1jP1 ASN 149 H 0.26 0.35 -0.53 -0.55 8.53 8.06 3h1jP1 ASN 149 HA -0.01 -0.07 0.34 -0.75 4.76 4.27 3h1jP1 ASN 149 HB2 0.22 0.39 0.32 -0.04 2.88 3.76 3h1jP1 ASN 149 HB3 0.10 -0.07 -0.01 -0.04 2.79 2.77 3h1jP1 ASN 149 HD21 0.42 -0.10 -0.00 -0.04 7.03 7.31 3h1jP1 ASN 149 HD22 0.31 0.11 -0.02 -0.04 7.74 8.10 3h1jP1 LEU 150 H 0.02 0.53 -0.43 -0.55 8.37 7.95 3h1jP1 LEU 150 HA -0.12 -0.01 0.35 -0.75 4.35 3.82 3h1jP1 LEU 150 HB2 -0.36 0.21 0.14 -0.04 1.64 1.58 3h1jP1 LEU 150 HB3 -0.39 -0.12 0.01 -0.04 1.64 1.09 3h1jP1 LEU 150 HG -0.09 0.16 0.10 -0.04 1.64 1.77 3h1jP1 LEU 150 HD13 -0.22 -0.02 0.02 -0.04 0.93 0.66 3h1jP1 LEU 150 HD23 -0.11 -0.03 -0.01 -0.04 0.89 0.69 3h1jP1 PHE 151 H 0.14 0.51 -0.33 -0.55 8.34 8.11 3h1jP1 PHE 151 HA -0.08 0.04 0.39 -0.75 4.62 4.21 3h1jP1 PHE 151 HB2 -0.14 0.14 -0.02 -0.04 3.15 3.09 3h1jP1 PHE 151 HB3 -0.11 -0.10 0.06 -0.04 3.06 2.87 3h1jP1 PHE 151 HD2 -0.05 0.17 0.07 -0.04 7.28 7.43 3h1jP1 PHE 151 HE2 -0.01 -0.00 -0.05 -0.04 7.38 7.28 3h1jP1 PHE 151 HZ -0.01 -0.01 -0.04 -0.04 7.32 7.22 3h1jP1 SER 152 H -0.09 0.72 -0.39 -0.55 8.46 8.15 3h1jP1 SER 152 HA -0.28 -0.12 0.26 -0.75 4.49 3.60 3h1jP1 SER 152 HB2 -0.52 -0.08 0.08 -0.04 3.95 3.38 3h1jP1 SER 152 HB3 -0.37 -0.03 0.10 -0.04 3.93 3.58 3h1jP1 ALA 153 H -0.11 0.45 -0.54 -0.55 8.40 7.66 3h1jP1 ALA 153 HA -0.07 -0.02 0.30 -0.75 4.34 3.80 3h1jP1 ALA 153 HB3 -0.10 -0.01 0.06 -0.04 1.41 1.32 3h1jP1 ILE 154 H -0.06 0.48 -0.42 -0.55 8.25 7.71 3h1jP1 ILE 154 HA -0.05 0.07 0.48 -0.75 4.18 3.92 3h1jP1 ILE 154 HB -0.01 -0.12 0.16 -0.04 1.89 1.87 3h1jP1 ILE 154 HG12 -0.01 -0.01 0.01 -0.04 1.49 1.44 3h1jP1 ILE 154 HG13 -0.01 0.08 0.10 -0.04 1.21 1.33 3h1jP1 ILE 154 HG23 -0.01 0.03 -0.04 -0.04 0.93 0.87 3h1jP1 ILE 154 HD13 0.12 -0.02 0.05 -0.04 0.88 1.00 3h1jP1 PRO 155 HA -0.18 0.05 0.39 -0.51 4.44 4.18 3h1jP1 PRO 155 HB2 -0.54 -0.00 -0.00 -0.04 2.28 1.69 3h1jP1 PRO 155 HB3 -0.27 0.04 0.13 -0.04 2.02 1.88 3h1jP1 PRO 155 HG2 -0.09 -0.02 0.10 -0.04 2.03 1.97 3h1jP1 PRO 155 HG3 -0.12 0.04 0.09 -0.04 2.03 2.00 3h1jP1 PRO 155 HD2 -0.06 0.04 0.25 -0.04 3.68 3.87 3h1jP1 PRO 155 HD3 -0.09 0.22 0.25 -0.04 3.65 3.99 3h1jP1 TYR 156 H -0.17 0.13 0.11 -0.55 8.29 7.80 3h1jP1 TYR 156 HA -0.01 0.01 0.40 -0.75 4.56 4.20 3h1jP1 TYR 156 HB2 -0.02 0.07 0.12 -0.04 3.06 3.20 3h1jP1 TYR 156 HB3 -0.02 0.00 0.06 -0.04 2.98 2.99 3h1jP1 TYR 156 HD2 -0.01 0.03 -0.00 -0.04 7.15 7.12 3h1jP1 TYR 156 HE2 -0.01 0.01 -0.00 -0.04 6.85 6.81 3h1jP1 ILE 157 H 0.13 0.28 0.29 -0.55 8.25 8.40 3h1jP1 ILE 157 HA -0.01 -0.01 0.37 -0.75 4.18 3.77 3h1jP1 ILE 157 HB -0.10 -0.02 0.03 -0.04 1.89 1.77 3h1jP1 ILE 157 HG12 0.03 0.25 0.13 -0.04 1.49 1.85 3h1jP1 ILE 157 HG13 -0.02 -0.70 0.10 -0.04 1.21 0.55 3h1jP1 ILE 157 HG23 0.02 0.00 0.07 -0.04 0.93 0.98 3h1jP1 ILE 157 HD13 -0.01 0.01 0.03 -0.04 0.88 0.88 3h1jP1 GLY 158 H -0.04 0.10 -0.05 -0.55 8.43 7.89 3h1jP1 GLY 158 HA2 -0.05 0.08 0.35 -0.51 4.01 3.88 3h1jP1 GLY 158 HA3 -0.05 0.31 0.29 -0.51 4.01 4.05 3h1jP1 HIS 159 H 0.02 0.29 0.26 -0.55 8.41 8.43 3h1jP1 HIS 159 HA -0.15 -0.01 0.42 -0.75 4.63 4.13 3h1jP1 HIS 159 HB2 -0.09 0.16 0.26 -0.04 3.26 3.56 3h1jP1 HIS 159 HB3 -0.12 -0.04 0.03 -0.04 3.20 3.03 3h1jP1 HIS 159 HD2 -0.04 0.10 0.10 -0.04 6.97 7.08 3h1jP1 HIS 159 HE1 0.00 -0.00 0.02 -0.04 7.75 7.73 3h1jP1 THR 160 H -0.06 0.51 -0.15 -0.55 8.28 8.03 3h1jP1 THR 160 HA -0.17 -0.00 0.33 -0.75 4.39 3.79 3h1jP1 THR 160 HB -0.26 -0.04 -0.12 -0.04 4.32 3.85 3h1jP1 THR 160 HG23 -0.37 -0.01 -0.06 -0.04 1.22 0.74 3h1jP1 LEU 161 H -0.31 0.74 -0.56 -0.55 8.37 7.70 3h1jP1 LEU 161 HA -0.87 0.00 0.50 -0.75 4.35 3.23 3h1jP1 LEU 161 HB2 -0.21 0.29 0.09 -0.04 1.64 1.77 3h1jP1 LEU 161 HB3 -0.28 -0.04 -0.04 -0.04 1.64 1.25 3h1jP1 LEU 161 HG -0.46 -0.07 -0.07 -0.04 1.64 1.00 3h1jP1 LEU 161 HD13 -0.06 -0.02 0.02 -0.04 0.93 0.83 3h1jP1 LEU 161 HD23 -0.12 -0.00 0.01 -0.04 0.89 0.74 3h1jP1 VAL 162 H -0.29 0.45 -0.06 -0.55 8.24 7.79 3h1jP1 VAL 162 HA -0.48 0.03 0.34 -0.75 4.13 3.27 3h1jP1 VAL 162 HB -0.40 0.13 0.15 -0.04 2.12 1.95 3h1jP1 VAL 162 HG13 -1.54 -0.02 -0.23 -0.04 0.97 -0.86 3h1jP1 VAL 162 HG23 -0.33 0.04 -0.13 -0.04 0.95 0.50 3h1jP1 GLU 163 H -0.20 0.48 -0.13 -0.55 8.60 8.21 3h1jP1 GLU 163 HA 0.20 0.21 0.37 -0.75 4.29 4.32 3h1jP1 GLU 163 HB2 0.17 -0.03 0.05 -0.04 2.09 2.24 3h1jP1 GLU 163 HB3 -0.06 0.19 0.11 -0.04 1.99 2.19 3h1jP1 GLU 163 HG2 0.28 -0.02 -0.31 -0.04 2.34 2.25 3h1jP1 GLU 163 HG3 0.36 0.03 -0.08 -0.04 2.34 2.61 3h1jP1 TRP 164 H -0.12 0.34 -0.29 -0.55 7.97 7.36 3h1jP1 TRP 164 HA 0.03 -0.02 0.33 -0.75 4.62 4.21 3h1jP1 TRP 164 HB2 -0.05 0.19 0.19 -0.04 3.23 3.51 3h1jP1 TRP 164 HB3 -0.01 -0.03 -0.01 -0.04 3.23 3.14 3h1jP1 TRP 164 HD1 0.03 -0.06 -0.03 -0.04 7.22 7.12 3h1jP1 TRP 164 HE1 0.02 -0.04 -0.01 -0.04 10.20 10.13 3h1jP1 TRP 164 HE3 -0.05 0.03 0.02 -0.04 7.59 7.55 3h1jP1 TRP 164 HZ2 0.01 -0.03 -0.03 -0.04 7.44 7.35 3h1jP1 TRP 164 HZ3 -0.02 -0.01 -0.01 -0.04 7.13 7.04 3h1jP1 TRP 164 HH2 0.00 -0.03 -0.03 -0.04 7.19 7.10 3h1jP1 ALA 165 H 0.07 0.53 -0.05 -0.55 8.40 8.41 3h1jP1 ALA 165 HA 0.25 -0.04 0.29 -0.75 4.34 4.08 3h1jP1 ALA 165 HB3 -0.05 0.01 0.09 -0.04 1.41 1.42 3h1jP1 TRP 166 H 0.16 0.47 -0.52 -0.55 7.97 7.53 3h1jP1 TRP 166 HA 0.01 0.09 0.89 -0.75 4.62 4.85 3h1jP1 TRP 166 HB2 0.11 0.10 -0.12 -0.04 3.23 3.27 3h1jP1 TRP 166 HB3 0.04 -0.06 -0.22 -0.04 3.23 2.95 3h1jP1 TRP 166 HD1 0.03 0.12 -0.38 -0.04 7.22 6.95 3h1jP1 TRP 166 HE1 0.09 0.06 -0.17 -0.04 10.20 10.14 3h1jP1 TRP 166 HE3 0.14 -0.03 -0.49 -0.04 7.59 7.18 3h1jP1 TRP 166 HZ2 0.04 0.16 -0.03 -0.04 7.44 7.58 3h1jP1 TRP 166 HZ3 0.11 0.09 -0.30 -0.04 7.13 6.98 3h1jP1 TRP 166 HH2 0.06 0.03 -0.07 -0.04 7.19 7.18 3h1jP1 GLY 167 H 0.27 0.86 0.24 -0.55 8.43 9.26 3h1jP1 GLY 167 HA2 0.16 -0.03 0.33 -0.51 4.01 3.96 3h1jP1 GLY 167 HA3 0.12 -0.00 0.41 -0.51 4.01 4.03 3h1jP1 GLY 168 H 0.32 0.23 -0.29 -0.55 8.43 8.14 3h1jP1 GLY 168 HA2 -0.14 0.10 0.45 -0.51 4.01 3.92 3h1jP1 GLY 168 HA3 0.07 0.02 0.25 -0.51 4.01 3.84 3h1jP1 PHE 169 H 0.17 0.18 0.07 -0.55 8.34 8.20 3h1jP1 PHE 169 HA 0.33 0.19 0.78 -0.75 4.62 5.17 3h1jP1 PHE 169 HB2 0.12 -0.01 0.06 -0.04 3.15 3.29 3h1jP1 PHE 169 HB3 0.16 0.02 0.17 -0.04 3.06 3.36 3h1jP1 PHE 169 HD2 0.13 0.15 -0.12 -0.04 7.28 7.39 3h1jP1 PHE 169 HE2 0.07 -0.00 -0.07 -0.04 7.38 7.34 3h1jP1 PHE 169 HZ 0.06 -0.01 -0.06 -0.04 7.32 7.27 3h1jP1 SER 170 H 0.33 0.23 -0.24 -0.55 8.46 8.24 3h1jP1 SER 170 HA -0.56 0.07 0.34 -0.75 4.49 3.59 3h1jP1 SER 170 HB2 -0.13 0.03 0.09 -0.04 3.95 3.89 3h1jP1 SER 170 HB3 0.07 0.17 -0.20 -0.04 3.93 3.92 3h1jP1 VAL 171 H -1.18 0.15 0.08 -0.55 8.24 6.74 3h1jP1 VAL 171 HA -0.79 0.06 0.44 -0.75 4.13 3.09 3h1jP1 VAL 171 HB -1.09 -0.01 0.10 -0.04 2.12 1.09 3h1jP1 VAL 171 HG13 -0.48 0.00 -0.09 -0.04 0.97 0.37 3h1jP1 VAL 171 HG23 -1.22 0.02 -0.05 -0.04 0.95 -0.34 3h1jP1 ASP 172 H -0.10 0.27 0.32 -0.55 8.40 8.34 3h1jP1 ASP 172 HA 0.18 0.10 0.41 -0.75 4.63 4.57 3h1jP1 ASP 172 HB2 -0.01 0.20 -0.37 -0.04 2.71 2.49 3h1jP1 ASP 172 HB3 -0.01 0.01 0.01 -0.04 2.70 2.67 3h1jP1 ASN 173 H -0.04 0.19 0.20 -0.55 8.53 8.33 3h1jP1 ASN 173 HA -0.28 -0.05 0.44 -0.75 4.76 4.12 3h1jP1 ASN 173 HB2 -0.10 0.01 0.24 -0.04 2.88 2.99 3h1jP1 ASN 173 HB3 -0.08 0.15 0.11 -0.04 2.79 2.93 3h1jP1 ASN 173 HD21 -0.13 0.15 0.12 -0.04 7.03 7.13 3h1jP1 ASN 173 HD22 -0.09 0.08 -0.03 -0.04 7.74 7.66 3h1jP1 PRO 174 HA -0.02 0.01 0.44 -0.51 4.44 4.36 3h1jP1 PRO 174 HB2 0.04 0.18 0.06 -0.04 2.28 2.52 3h1jP1 PRO 174 HB3 -0.00 -0.02 0.14 -0.04 2.02 2.10 3h1jP1 PRO 174 HG2 0.02 0.18 -0.07 -0.04 2.03 2.12 3h1jP1 PRO 174 HG3 0.00 0.07 -0.04 -0.04 2.03 2.03 3h1jP1 PRO 174 HD2 -0.03 -0.14 -0.13 -0.04 3.68 3.34 3h1jP1 PRO 174 HD3 -0.03 0.11 0.12 -0.04 3.65 3.81 3h1jP1 THR 175 H -0.06 0.24 -0.41 -0.55 8.28 7.51 3h1jP1 THR 175 HA -0.02 0.20 0.53 -0.75 4.39 4.35 3h1jP1 THR 175 HB -0.19 -0.04 0.19 -0.04 4.32 4.24 3h1jP1 THR 175 HG23 -0.48 0.07 0.09 -0.04 1.22 0.86 3h1jP1 LEU 176 H -0.26 0.29 0.13 -0.55 8.37 7.98 3h1jP1 LEU 176 HA -0.20 0.08 0.37 -0.75 4.35 3.85 3h1jP1 LEU 176 HB2 -1.15 -0.00 0.07 -0.04 1.64 0.52 3h1jP1 LEU 176 HB3 -0.46 -0.02 0.14 -0.04 1.64 1.27 3h1jP1 LEU 176 HG -0.25 -0.05 -0.28 -0.04 1.64 1.02 3h1jP1 LEU 176 HD13 -0.09 0.04 0.01 -0.04 0.93 0.85 3h1jP1 LEU 176 HD23 -1.02 -0.04 -0.15 -0.04 0.89 -0.36 3h1jP1 THR 177 H -0.08 0.60 -0.09 -0.55 8.28 8.16 3h1jP1 THR 177 HA 0.12 -0.00 0.41 -0.75 4.39 4.17 3h1jP1 THR 177 HB 0.05 -0.02 0.04 -0.04 4.32 4.34 3h1jP1 THR 177 HG23 -0.06 -0.01 0.07 -0.04 1.22 1.17 3h1jP1 ARG 178 H 0.09 0.44 -0.21 -0.55 8.46 8.23 3h1jP1 ARG 178 HA 0.12 0.01 0.57 -0.75 4.34 4.28 3h1jP1 ARG 178 HB2 0.14 -0.09 0.11 -0.04 1.90 2.03 3h1jP1 ARG 178 HB3 0.10 0.01 0.14 -0.04 1.80 2.02 3h1jP1 ARG 178 HG2 0.16 0.12 0.32 -0.04 1.67 2.22 3h1jP1 ARG 178 HG3 0.45 -0.04 -0.03 -0.04 1.67 2.01 3h1jP1 ARG 178 HD2 0.24 0.19 -0.21 -0.04 3.22 3.40 3h1jP1 ARG 178 HD3 0.17 -0.13 -0.06 -0.04 3.22 3.17 3h1jP1 PHE 179 H 0.35 0.59 -0.20 -0.55 8.34 8.52 3h1jP1 PHE 179 HA 0.07 -0.00 0.47 -0.75 4.62 4.40 3h1jP1 PHE 179 HB2 0.08 0.14 0.19 -0.04 3.15 3.52 3h1jP1 PHE 179 HB3 0.04 -0.01 -0.04 -0.04 3.06 3.02 3h1jP1 PHE 179 HD2 -0.01 -0.03 -0.02 -0.04 7.28 7.18 3h1jP1 PHE 179 HE2 -0.01 0.06 0.04 -0.04 7.38 7.43 3h1jP1 PHE 179 HZ 0.32 -0.03 -0.00 -0.04 7.32 7.56 3h1jP1 PHE 180 H 0.37 0.56 -0.06 -0.55 8.34 8.66 3h1jP1 PHE 180 HA 0.16 0.04 0.36 -0.75 4.62 4.43 3h1jP1 PHE 180 HB2 0.26 -0.00 0.09 -0.04 3.15 3.45 3h1jP1 PHE 180 HB3 0.16 0.10 0.15 -0.04 3.06 3.43 3h1jP1 PHE 180 HD2 0.09 0.01 -0.01 -0.04 7.28 7.33 3h1jP1 PHE 180 HE2 0.13 0.01 -0.03 -0.04 7.38 7.45 3h1jP1 PHE 180 HZ 0.34 0.06 0.01 -0.04 7.32 7.69 3h1jP1 ALA 181 H 0.14 0.40 -0.34 -0.55 8.40 8.05 3h1jP1 ALA 181 HA -0.21 0.02 0.39 -0.75 4.34 3.79 3h1jP1 ALA 181 HB3 -0.00 0.05 0.13 -0.04 1.41 1.54 3h1jP1 LEU 182 H 0.07 0.68 -0.02 -0.55 8.37 8.55 3h1jP1 LEU 182 HA 0.01 -0.05 0.41 -0.75 4.35 3.96 3h1jP1 LEU 182 HB2 0.02 0.23 0.21 -0.04 1.64 2.06 3h1jP1 LEU 182 HB3 -0.06 0.06 0.11 -0.04 1.64 1.71 3h1jP1 LEU 182 HG -0.05 -0.03 -0.03 -0.04 1.64 1.48 3h1jP1 LEU 182 HD13 -0.00 -0.03 0.08 -0.04 0.93 0.93 3h1jP1 LEU 182 HD23 -0.06 0.00 -0.01 -0.04 0.89 0.78 3h1jP1 HIS 183 H 0.12 0.72 -0.25 -0.55 8.41 8.46 3h1jP1 HIS 183 HA -0.02 -0.02 0.45 -0.75 4.63 4.29 3h1jP1 HIS 183 HB2 0.02 -0.01 -0.06 -0.04 3.26 3.17 3h1jP1 HIS 183 HB3 0.03 0.10 0.05 -0.04 3.20 3.34 3h1jP1 HIS 183 HD2 0.04 0.02 -0.12 -0.04 6.97 6.86 3h1jP1 HIS 183 HE1 0.04 -0.03 -0.08 -0.04 7.75 7.63 3h1jP1 PHE 184 H 0.02 0.48 -0.19 -0.55 8.34 8.10 3h1jP1 PHE 184 HA -0.11 -0.01 0.42 -0.75 4.62 4.17 3h1jP1 PHE 184 HB2 -0.58 0.13 0.17 -0.04 3.15 2.82 3h1jP1 PHE 184 HB3 -0.22 0.06 0.15 -0.04 3.06 3.01 3h1jP1 PHE 184 HD2 -0.18 0.02 -0.11 -0.04 7.28 6.97 3h1jP1 PHE 184 HE2 0.02 -0.01 -0.02 -0.04 7.38 7.33 3h1jP1 PHE 184 HZ 0.03 -0.02 -0.01 -0.04 7.32 7.27 3h1jP1 LEU 185 H 0.10 0.49 -0.17 -0.55 8.37 8.24 3h1jP1 LEU 185 HA 0.26 0.03 0.49 -0.75 4.35 4.38 3h1jP1 LEU 185 HB2 0.02 0.03 0.07 -0.04 1.64 1.72 3h1jP1 LEU 185 HB3 0.04 0.07 0.18 -0.04 1.64 1.89 3h1jP1 LEU 185 HG 0.05 -0.06 -0.28 -0.04 1.64 1.31 3h1jP1 LEU 185 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 3h1jP1 LEU 185 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 3h1jP1 LEU 186 H 0.03 0.59 0.08 -0.55 8.37 8.53 3h1jP1 LEU 186 HA 0.02 -0.10 0.36 -0.75 4.35 3.88 3h1jP1 LEU 186 HB2 -0.05 0.14 0.12 -0.04 1.64 1.80 3h1jP1 LEU 186 HB3 -0.04 -0.06 -0.02 -0.04 1.64 1.48 3h1jP1 LEU 186 HG 0.00 0.27 0.18 -0.04 1.64 2.06 3h1jP1 LEU 186 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.80 3h1jP1 LEU 186 HD23 0.01 -0.04 0.03 -0.04 0.89 0.84 3h1jP1 PRO 187 HA -0.19 -0.00 0.41 -0.51 4.44 4.15 3h1jP1 PRO 187 HB2 -0.66 0.07 0.05 -0.04 2.28 1.70 3h1jP1 PRO 187 HB3 -0.36 -0.03 0.08 -0.04 2.02 1.67 3h1jP1 PRO 187 HG2 -0.37 0.13 0.05 -0.04 2.03 1.80 3h1jP1 PRO 187 HG3 -0.31 -0.05 0.05 -0.04 2.03 1.68 3h1jP1 PRO 187 HD2 -0.05 0.21 -0.69 -0.04 3.68 3.10 3h1jP1 PRO 187 HD3 -0.18 0.11 0.03 -0.04 3.65 3.57 3h1jP1 PHE 188 H 0.06 0.53 -0.18 -0.55 8.34 8.20 3h1jP1 PHE 188 HA -0.01 -0.01 0.53 -0.75 4.62 4.37 3h1jP1 PHE 188 HB2 0.00 0.18 0.15 -0.04 3.15 3.44 3h1jP1 PHE 188 HB3 0.00 -0.07 0.06 -0.04 3.06 3.00 3h1jP1 PHE 188 HD2 0.02 0.13 0.13 -0.04 7.28 7.51 3h1jP1 PHE 188 HE2 -0.00 0.08 0.05 -0.04 7.38 7.47 3h1jP1 PHE 188 HZ -0.02 -0.01 0.02 -0.04 7.32 7.27 3h1jP1 ALA 189 H 0.11 0.33 -0.08 -0.55 8.40 8.21 3h1jP1 ALA 189 HA 0.05 -0.01 0.42 -0.75 4.34 4.05 3h1jP1 ALA 189 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 3h1jP1 ILE 190 H -0.03 0.53 -0.45 -0.55 8.25 7.75 3h1jP1 ILE 190 HA -0.05 0.00 0.47 -0.75 4.18 3.85 3h1jP1 ILE 190 HB -0.09 0.28 0.25 -0.04 1.89 2.29 3h1jP1 ILE 190 HG12 -0.11 -0.05 -0.05 -0.04 1.49 1.24 3h1jP1 ILE 190 HG13 -0.09 0.10 -0.12 -0.04 1.21 1.06 3h1jP1 ILE 190 HG23 -0.05 -0.03 -0.10 -0.04 0.93 0.71 3h1jP1 ILE 190 HD13 -0.22 -0.01 -0.15 -0.04 0.88 0.46 3h1jP1 ALA 191 H -0.05 0.69 0.17 -0.55 8.40 8.65 3h1jP1 ALA 191 HA -0.02 -0.03 0.33 -0.75 4.34 3.86 3h1jP1 ALA 191 HB3 -0.02 0.02 0.11 -0.04 1.41 1.48 3h1jP1 GLY 192 H 0.04 0.73 -0.31 -0.55 8.43 8.33 3h1jP1 GLY 192 HA2 0.03 -0.01 0.41 -0.51 4.01 3.93 3h1jP1 GLY 192 HA3 0.04 0.04 0.30 -0.51 4.01 3.88 3h1jP1 ILE 193 H 0.02 0.67 -0.00 -0.55 8.25 8.38 3h1jP1 ILE 193 HA 0.05 -0.05 0.45 -0.75 4.18 3.87 3h1jP1 ILE 193 HB -0.01 0.13 0.18 -0.04 1.89 2.14 3h1jP1 ILE 193 HG12 0.04 -0.10 0.07 -0.04 1.49 1.46 3h1jP1 ILE 193 HG13 0.02 0.26 0.22 -0.04 1.21 1.68 3h1jP1 ILE 193 HG23 0.03 -0.03 -0.05 -0.04 0.93 0.83 3h1jP1 ILE 193 HD13 0.01 -0.03 -0.04 -0.04 0.88 0.78 3h1jP1 THR 194 H -0.00 0.74 -0.26 -0.55 8.28 8.21 3h1jP1 THR 194 HA 0.01 -0.04 0.38 -0.75 4.39 3.99 3h1jP1 THR 194 HB -0.00 0.23 0.10 -0.04 4.32 4.61 3h1jP1 THR 194 HG23 0.01 -0.03 -0.05 -0.04 1.22 1.11 3h1jP1 ILE 195 H 0.02 0.55 -0.34 -0.55 8.25 7.94 3h1jP1 ILE 195 HA 0.01 -0.00 0.44 -0.75 4.18 3.87 3h1jP1 ILE 195 HB 0.01 0.19 0.18 -0.04 1.89 2.23 3h1jP1 ILE 195 HG12 0.01 0.33 0.17 -0.04 1.49 1.97 3h1jP1 ILE 195 HG13 0.01 -0.07 0.04 -0.04 1.21 1.15 3h1jP1 ILE 195 HG23 -0.01 -0.03 -0.07 -0.04 0.93 0.78 3h1jP1 ILE 195 HD13 0.01 -0.04 -0.03 -0.04 0.88 0.78 3h1jP1 ILE 196 H 0.04 0.34 -0.05 -0.55 8.25 8.03 3h1jP1 ILE 196 HA -0.07 0.02 0.44 -0.75 4.18 3.82 3h1jP1 ILE 196 HB 0.13 0.15 0.17 -0.04 1.89 2.30 3h1jP1 ILE 196 HG12 -0.02 -0.03 0.03 -0.04 1.49 1.43 3h1jP1 ILE 196 HG13 0.03 0.12 0.08 -0.04 1.21 1.40 3h1jP1 ILE 196 HG23 0.16 -0.02 -0.05 -0.04 0.93 0.97 3h1jP1 ILE 196 HD13 0.06 -0.01 0.00 -0.04 0.88 0.89 3h1jP1 HIS 197 H 0.19 0.64 -0.16 -0.55 8.41 8.53 3h1jP1 HIS 197 HA 0.18 -0.01 0.37 -0.75 4.63 4.41 3h1jP1 HIS 197 HB2 0.05 0.06 0.08 -0.04 3.26 3.41 3h1jP1 HIS 197 HB3 0.03 0.15 0.23 -0.04 3.20 3.56 3h1jP1 HIS 197 HD2 0.06 -0.01 -0.03 -0.04 6.97 6.94 3h1jP1 HIS 197 HE1 0.07 0.07 0.01 -0.04 7.75 7.85 3h1jP1 LEU 198 H 0.08 0.64 0.03 -0.55 8.37 8.58 3h1jP1 LEU 198 HA -0.25 -0.05 0.38 -0.75 4.35 3.69 3h1jP1 LEU 198 HB2 -0.09 0.11 0.12 -0.04 1.64 1.75 3h1jP1 LEU 198 HB3 -0.38 -0.02 0.05 -0.04 1.64 1.25 3h1jP1 LEU 198 HG 0.06 0.15 0.13 -0.04 1.64 1.94 3h1jP1 LEU 198 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.87 3h1jP1 LEU 198 HD23 -0.02 -0.03 0.00 -0.04 0.89 0.81 3h1jP1 THR 199 H -0.07 0.49 -0.44 -0.55 8.28 7.71 3h1jP1 THR 199 HA -0.06 0.01 0.42 -0.75 4.39 4.01 3h1jP1 THR 199 HB -0.18 0.12 0.23 -0.04 4.32 4.45 3h1jP1 THR 199 HG23 -0.24 -0.03 -0.17 -0.04 1.22 0.75 3h1jP1 PHE 200 H 0.05 0.67 0.02 -0.55 8.34 8.53 3h1jP1 PHE 200 HA -0.03 0.02 0.47 -0.75 4.62 4.32 3h1jP1 PHE 200 HB2 -0.03 0.20 0.12 -0.04 3.15 3.40 3h1jP1 PHE 200 HB3 -0.03 -0.17 -0.08 -0.04 3.06 2.74 3h1jP1 PHE 200 HD2 0.03 0.06 -0.06 -0.04 7.28 7.27 3h1jP1 PHE 200 HE2 0.04 -0.02 -0.02 -0.04 7.38 7.35 3h1jP1 PHE 200 HZ 0.04 -0.01 -0.01 -0.04 7.32 7.30 3h1jP1 LEU 201 H -0.04 0.63 -0.11 -0.55 8.37 8.30 3h1jP1 LEU 201 HA -0.14 -0.02 0.39 -0.75 4.35 3.81 3h1jP1 LEU 201 HB2 -0.17 -0.04 0.05 -0.04 1.64 1.44 3h1jP1 LEU 201 HB3 -0.24 0.11 0.16 -0.04 1.64 1.63 3h1jP1 LEU 201 HG 0.01 -0.01 -0.43 -0.04 1.64 1.16 3h1jP1 LEU 201 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.86 3h1jP1 LEU 201 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 3h1jP1 HIS 202 H -0.18 0.76 -0.07 -0.55 8.41 8.38 3h1jP1 HIS 202 HA -0.02 -0.06 0.42 -0.75 4.63 4.22 3h1jP1 HIS 202 HB2 -0.03 0.12 0.13 -0.04 3.26 3.45 3h1jP1 HIS 202 HB3 -0.02 -0.02 0.10 -0.04 3.20 3.22 3h1jP1 HIS 202 HD2 0.00 -0.09 0.01 -0.04 6.97 6.85 3h1jP1 HIS 202 HE1 -0.05 -0.06 0.01 -0.04 7.75 7.60 3h1jP1 GLU 203 H 0.02 0.38 -0.60 -0.55 8.60 7.85 3h1jP1 GLU 203 HA 0.02 -0.00 0.44 -0.75 4.29 3.99 3h1jP1 GLU 203 HB2 0.02 0.26 0.21 -0.04 2.09 2.54 3h1jP1 GLU 203 HB3 0.02 -0.09 0.03 -0.04 1.99 1.90 3h1jP1 GLU 203 HG2 0.02 0.20 0.12 -0.04 2.34 2.65 3h1jP1 GLU 203 HG3 0.10 -0.11 0.09 -0.04 2.34 2.38 3h1jP1 SER 204 H -0.13 0.33 -0.09 -0.55 8.46 8.02 3h1jP1 SER 204 HA -0.06 0.09 0.83 -0.75 4.49 4.59 3h1jP1 SER 204 HB2 -0.32 -0.04 0.04 -0.04 3.95 3.59 3h1jP1 SER 204 HB3 -0.30 -0.11 0.04 -0.04 3.93 3.53 3h1jP1 GLY 205 H -0.06 0.55 0.20 -0.55 8.43 8.58 3h1jP1 GLY 205 HA2 0.09 -0.03 0.35 -0.51 4.01 3.90 3h1jP1 GLY 205 HA3 0.05 0.15 0.65 -0.51 4.01 4.34 3h1jP1 SER 206 H 0.10 0.12 0.17 -0.55 8.46 8.30 3h1jP1 SER 206 HA 0.30 -0.02 0.42 -0.75 4.49 4.44 3h1jP1 SER 206 HB2 -0.02 -0.03 0.17 -0.04 3.95 4.03 3h1jP1 SER 206 HB3 0.13 0.07 0.14 -0.04 3.93 4.23 3h1jP1 ASN 207 H 0.45 0.02 0.18 -0.55 8.53 8.63 3h1jP1 ASN 207 HA 0.11 0.13 0.54 -0.75 4.76 4.79 3h1jP1 ASN 207 HB2 -0.12 0.08 0.07 -0.04 2.88 2.87 3h1jP1 ASN 207 HB3 0.30 -0.07 0.04 -0.04 2.79 3.02 3h1jP1 ASN 207 HD21 -0.04 0.24 -0.05 -0.04 7.03 7.14 3h1jP1 ASN 207 HD22 -0.07 -0.11 -0.21 -0.04 7.74 7.31 3h1jP1 ASN 208 H -0.01 0.22 0.14 -0.55 8.53 8.33 3h1jP1 ASN 208 HA -0.93 0.19 0.64 -0.75 4.76 3.90 3h1jP1 ASN 208 HB2 -0.40 -0.03 -0.03 -0.04 2.88 2.38 3h1jP1 ASN 208 HB3 -0.28 0.12 -0.29 -0.04 2.79 2.30 3h1jP1 ASN 208 HD21 -0.04 0.36 -0.03 -0.04 7.03 7.27 3h1jP1 ASN 208 HD22 -0.08 0.04 -0.09 -0.04 7.74 7.57 3h1jP1 PRO 209 HA -0.01 0.06 0.38 -0.51 4.44 4.36 3h1jP1 PRO 209 HB2 -0.03 0.03 0.07 -0.04 2.28 2.31 3h1jP1 PRO 209 HB3 0.15 0.03 0.07 -0.04 2.02 2.23 3h1jP1 PRO 209 HG2 -0.15 0.27 0.13 -0.04 2.03 2.24 3h1jP1 PRO 209 HG3 -0.18 -0.06 0.12 -0.04 2.03 1.87 3h1jP1 PRO 209 HD2 -0.40 0.13 -0.06 -0.04 3.68 3.31 3h1jP1 PRO 209 HD3 -1.24 0.08 0.14 -0.04 3.65 2.59 3h1jP1 LEU 210 H -0.06 0.09 -0.24 -0.55 8.37 7.61 3h1jP1 LEU 210 HA -0.15 0.08 0.39 -0.75 4.35 3.91 3h1jP1 LEU 210 HB2 0.01 -0.01 -0.02 -0.04 1.64 1.58 3h1jP1 LEU 210 HB3 0.10 0.04 0.03 -0.04 1.64 1.77 3h1jP1 LEU 210 HG 0.01 -0.04 -0.01 -0.04 1.64 1.56 3h1jP1 LEU 210 HD13 0.09 0.02 -0.03 -0.04 0.93 0.97 3h1jP1 LEU 210 HD23 0.13 0.01 -0.07 -0.04 0.89 0.91 3h1jP1 GLY 211 H -0.01 0.50 -0.27 -0.55 8.43 8.10 3h1jP1 GLY 211 HA2 -0.02 0.06 0.31 -0.51 4.01 3.85 3h1jP1 GLY 211 HA3 -0.03 -0.07 0.38 -0.51 4.01 3.78 3h1jP1 ILE 212 H -0.00 0.09 -0.22 -0.55 8.25 7.57 3h1jP1 ILE 212 HA 0.01 0.20 0.78 -0.75 4.18 4.42 3h1jP1 ILE 212 HB 0.04 0.00 0.03 -0.04 1.89 1.91 3h1jP1 ILE 212 HG12 0.06 -0.05 -0.26 -0.04 1.49 1.21 3h1jP1 ILE 212 HG13 0.03 -0.01 -0.20 -0.04 1.21 0.99 3h1jP1 ILE 212 HG23 0.08 0.04 -0.09 -0.04 0.93 0.92 3h1jP1 ILE 212 HD13 0.07 0.01 -0.07 -0.04 0.88 0.85 3h1jP1 SER 213 H 0.01 0.15 0.11 -0.55 8.46 8.18 3h1jP1 SER 213 HA 0.01 0.07 0.35 -0.75 4.49 4.17 3h1jP1 SER 213 HB2 0.01 0.07 0.16 -0.04 3.95 4.16 3h1jP1 SER 213 HB3 0.01 -0.01 0.08 -0.04 3.93 3.98 3h1jP1 SER 214 H 0.01 0.22 0.16 -0.55 8.46 8.30 3h1jP1 SER 214 HA -0.01 0.21 0.86 -0.75 4.49 4.80 3h1jP1 SER 214 HB2 -0.03 0.03 0.18 -0.04 3.95 4.09 3h1jP1 SER 214 HB3 -0.04 -0.00 0.04 -0.04 3.93 3.89 3h1jP1 ASP 215 H 0.01 0.11 -0.15 -0.55 8.40 7.81 3h1jP1 ASP 215 HA 0.01 0.13 0.29 -0.75 4.63 4.31 3h1jP1 ASP 215 HB2 0.01 -0.01 -0.01 -0.04 2.71 2.66 3h1jP1 ASP 215 HB3 0.01 0.06 0.04 -0.04 2.70 2.77 3h1jP1 SER 216 H 0.01 0.07 -0.50 -0.55 8.46 7.49 3h1jP1 SER 216 HA 0.01 0.10 0.44 -0.75 4.49 4.28 3h1jP1 SER 216 HB2 0.00 0.01 0.07 -0.04 3.95 4.00 3h1jP1 SER 216 HB3 0.01 -0.02 0.02 -0.04 3.93 3.90 3h1jP1 ASP 217 H 0.00 0.53 -0.66 -0.55 8.40 7.72 3h1jP1 ASP 217 HA -0.00 0.10 0.52 -0.75 4.63 4.49 3h1jP1 ASP 217 HB2 -0.01 0.05 -0.40 -0.04 2.71 2.31 3h1jP1 ASP 217 HB3 -0.02 -0.12 0.13 -0.04 2.70 2.65 3h1jP1 LYS 218 H 0.02 0.18 0.09 -0.55 8.42 8.14 3h1jP1 LYS 218 HA 0.03 0.24 0.86 -0.75 4.32 4.70 3h1jP1 LYS 218 HB2 0.03 -0.01 0.00 -0.04 1.87 1.85 3h1jP1 LYS 218 HB3 0.05 -0.07 -0.03 -0.04 1.79 1.70 3h1jP1 LYS 218 HG2 0.02 0.05 -0.29 -0.04 1.46 1.20 3h1jP1 LYS 218 HG3 0.02 0.01 -0.10 -0.04 1.46 1.35 3h1jP1 LYS 218 HD2 0.03 0.01 -0.40 -0.04 1.69 1.29 3h1jP1 LYS 218 HD3 0.01 -0.02 -0.45 -0.04 1.68 1.19 3h1jP1 LYS 218 HE2 0.01 -0.22 -0.49 -0.04 2.99 2.25 3h1jP1 LYS 218 HE3 0.02 0.03 -0.16 -0.04 2.99 2.84 3h1jP1 ILE 219 H 0.11 0.49 0.29 -0.55 8.25 8.60 3h1jP1 ILE 219 HA 0.12 0.18 0.81 -0.75 4.18 4.53 3h1jP1 ILE 219 HB 0.45 0.05 -0.04 -0.04 1.89 2.31 3h1jP1 ILE 219 HG12 0.07 0.00 -0.26 -0.04 1.49 1.26 3h1jP1 ILE 219 HG13 0.28 -0.02 -0.12 -0.04 1.21 1.31 3h1jP1 ILE 219 HG23 -0.03 -0.01 -0.14 -0.04 0.93 0.70 3h1jP1 ILE 219 HD13 -0.28 -0.01 -0.05 -0.04 0.88 0.49 3h1jP1 PRO 220 HA 0.14 0.14 0.30 -0.51 4.44 4.51 3h1jP1 PRO 220 HB2 0.07 0.29 0.18 -0.04 2.28 2.78 3h1jP1 PRO 220 HB3 0.06 -0.04 0.15 -0.04 2.02 2.15 3h1jP1 PRO 220 HG2 -0.11 -0.03 0.07 -0.04 2.03 1.92 3h1jP1 PRO 220 HG3 -0.02 -0.02 0.14 -0.04 2.03 2.09 3h1jP1 PRO 220 HD2 0.22 0.05 0.21 -0.04 3.68 4.12 3h1jP1 PRO 220 HD3 0.09 0.12 0.17 -0.04 3.65 3.99 3h1jP1 PHE 221 H 0.30 0.44 0.04 -0.55 8.34 8.56 3h1jP1 PHE 221 HA 0.36 -0.00 0.31 -0.75 4.62 4.53 3h1jP1 PHE 221 HB2 0.12 0.15 -0.05 -0.04 3.15 3.33 3h1jP1 PHE 221 HB3 0.11 -0.13 -0.27 -0.04 3.06 2.73 3h1jP1 PHE 221 HD2 0.13 0.11 -0.24 -0.04 7.28 7.24 3h1jP1 PHE 221 HE2 0.11 -0.01 -0.05 -0.04 7.38 7.38 3h1jP1 PHE 221 HZ 0.10 -0.01 -0.09 -0.04 7.32 7.28 3h1jP1 HIS 222 H 0.33 0.43 -0.16 -0.55 8.41 8.47 3h1jP1 HIS 222 HA 0.03 -0.09 0.81 -0.75 4.63 4.63 3h1jP1 HIS 222 HB2 0.23 0.14 0.15 -0.04 3.26 3.74 3h1jP1 HIS 222 HB3 0.09 0.07 0.19 -0.04 3.20 3.51 3h1jP1 HIS 222 HD2 0.02 0.00 -0.08 -0.04 6.97 6.86 3h1jP1 HIS 222 HE1 0.07 -0.00 0.03 -0.04 7.75 7.80 3h1jP1 PRO 223 HA -0.46 -0.02 0.42 -0.51 4.44 3.88 3h1jP1 PRO 223 HB2 -0.17 0.01 0.09 -0.04 2.28 2.18 3h1jP1 PRO 223 HB3 -0.72 0.03 0.09 -0.04 2.02 1.39 3h1jP1 PRO 223 HG2 -0.73 0.05 -0.03 -0.04 2.03 1.29 3h1jP1 PRO 223 HG3 -0.45 0.03 0.05 -0.04 2.03 1.62 3h1jP1 PRO 223 HD2 -0.70 0.15 0.43 -0.04 3.68 3.52 3h1jP1 PRO 223 HD3 -0.45 0.09 -0.00 -0.04 3.65 3.24 3h1jP1 TYR 224 H -0.58 0.36 -0.25 -0.55 8.29 7.26 3h1jP1 TYR 224 HA -0.29 0.02 0.38 -0.75 4.56 3.91 3h1jP1 TYR 224 HB2 -0.40 0.22 0.03 -0.04 3.06 2.87 3h1jP1 TYR 224 HB3 -0.80 0.00 -0.03 -0.04 2.98 2.11 3h1jP1 TYR 224 HD2 -0.19 0.03 -0.05 -0.04 7.15 6.90 3h1jP1 TYR 224 HE2 -0.13 -0.01 0.00 -0.04 6.85 6.68 3h1jP1 TYR 225 H -0.34 0.74 0.18 -0.55 8.29 8.31 3h1jP1 TYR 225 HA -0.15 0.08 0.84 -0.75 4.56 4.57 3h1jP1 TYR 225 HB2 -1.11 0.08 0.09 -0.04 3.06 2.08 3h1jP1 TYR 225 HB3 -0.36 -0.06 0.08 -0.04 2.98 2.60 3h1jP1 TYR 225 HD2 -0.07 -0.02 -0.04 -0.04 7.15 6.98 3h1jP1 TYR 225 HE2 -0.05 0.11 -0.13 -0.04 6.85 6.74 3h1jP1 SER 226 H -0.28 0.33 -0.14 -0.55 8.46 7.82 3h1jP1 SER 226 HA 0.10 0.09 0.51 -0.75 4.49 4.44 3h1jP1 SER 226 HB2 0.13 0.00 0.03 -0.04 3.95 4.08 3h1jP1 SER 226 HB3 0.43 0.09 0.06 -0.04 3.93 4.47 3h1jP1 PHE 227 H 0.14 0.47 -0.14 -0.55 8.34 8.26 3h1jP1 PHE 227 HA -0.01 -0.00 0.35 -0.75 4.62 4.20 3h1jP1 PHE 227 HB2 -0.12 0.47 0.23 -0.04 3.15 3.69 3h1jP1 PHE 227 HB3 -0.06 -0.03 -0.04 -0.04 3.06 2.88 3h1jP1 PHE 227 HD2 -0.10 0.05 0.10 -0.04 7.28 7.29 3h1jP1 PHE 227 HE2 -0.04 -0.02 0.02 -0.04 7.38 7.30 3h1jP1 PHE 227 HZ -0.01 -0.01 0.00 -0.04 7.32 7.27 3h1jP1 LYS 228 H 0.03 0.37 -0.16 -0.55 8.42 8.10 3h1jP1 LYS 228 HA 0.04 0.03 0.44 -0.75 4.32 4.08 3h1jP1 LYS 228 HB2 -0.04 0.23 0.19 -0.04 1.87 2.21 3h1jP1 LYS 228 HB3 0.10 -0.00 0.12 -0.04 1.79 1.98 3h1jP1 LYS 228 HG2 0.05 -0.09 -0.09 -0.04 1.46 1.28 3h1jP1 LYS 228 HG3 0.02 -0.03 0.04 -0.04 1.46 1.45 3h1jP1 LYS 228 HD2 0.05 0.07 -0.05 -0.04 1.69 1.72 3h1jP1 LYS 228 HD3 0.25 0.01 -0.11 -0.04 1.68 1.79 3h1jP1 LYS 228 HE2 0.04 -0.12 -0.16 -0.04 2.99 2.72 3h1jP1 LYS 228 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.89 3h1jP1 ASP 229 H 0.03 0.69 -0.21 -0.55 8.40 8.36 3h1jP1 ASP 229 HA 0.02 -0.06 0.41 -0.75 4.63 4.25 3h1jP1 ASP 229 HB2 0.09 0.20 0.27 -0.04 2.71 3.23 3h1jP1 ASP 229 HB3 0.08 -0.10 0.04 -0.04 2.70 2.68 3h1jP1 ILE 230 H -0.01 0.67 -0.07 -0.55 8.25 8.29 3h1jP1 ILE 230 HA -0.02 -0.02 0.39 -0.75 4.18 3.77 3h1jP1 ILE 230 HB -0.08 0.10 0.10 -0.04 1.89 1.97 3h1jP1 ILE 230 HG12 -0.10 0.58 0.13 -0.04 1.49 2.06 3h1jP1 ILE 230 HG13 -0.20 -0.07 -0.02 -0.04 1.21 0.89 3h1jP1 ILE 230 HG23 -0.06 -0.02 -0.05 -0.04 0.93 0.75 3h1jP1 ILE 230 HD13 -0.04 -0.04 0.01 -0.04 0.88 0.77 3h1jP1 LEU 231 H 0.01 0.53 -0.24 -0.55 8.37 8.13 3h1jP1 LEU 231 HA 0.01 -0.02 0.42 -0.75 4.35 4.01 3h1jP1 LEU 231 HB2 0.04 0.00 0.14 -0.04 1.64 1.78 3h1jP1 LEU 231 HB3 0.02 0.24 0.24 -0.04 1.64 2.10 3h1jP1 LEU 231 HG -0.00 -0.03 -0.25 -0.04 1.64 1.32 3h1jP1 LEU 231 HD13 0.02 -0.02 0.03 -0.04 0.93 0.91 3h1jP1 LEU 231 HD23 0.01 -0.01 0.00 -0.04 0.89 0.85 3h1jP1 GLY 232 H -0.01 0.62 -0.05 -0.55 8.43 8.44 3h1jP1 GLY 232 HA2 -0.05 -0.04 0.39 -0.51 4.01 3.80 3h1jP1 GLY 232 HA3 -0.07 0.02 0.35 -0.51 4.01 3.80 3h1jP1 LEU 233 H -0.02 0.74 -0.05 -0.55 8.37 8.49 3h1jP1 LEU 233 HA -0.02 -0.04 0.41 -0.75 4.35 3.95 3h1jP1 LEU 233 HB2 -0.02 0.00 0.10 -0.04 1.64 1.68 3h1jP1 LEU 233 HB3 -0.01 0.18 0.21 -0.04 1.64 1.98 3h1jP1 LEU 233 HG -0.00 -0.03 -0.18 -0.04 1.64 1.38 3h1jP1 LEU 233 HD13 -0.03 -0.01 -0.00 -0.04 0.93 0.85 3h1jP1 LEU 233 HD23 -0.02 0.00 -0.01 -0.04 0.89 0.82 3h1jP1 THR 234 H -0.00 0.59 -0.08 -0.55 8.28 8.23 3h1jP1 THR 234 HA 0.01 -0.03 0.33 -0.75 4.39 3.94 3h1jP1 THR 234 HB 0.01 -0.07 0.07 -0.04 4.32 4.29 3h1jP1 THR 234 HG23 -0.00 0.07 0.07 -0.04 1.22 1.32 3h1jP1 LEU 235 H 0.01 0.43 -0.38 -0.55 8.37 7.88 3h1jP1 LEU 235 HA 0.03 0.03 0.59 -0.75 4.35 4.25 3h1jP1 LEU 235 HB2 0.00 0.13 0.20 -0.04 1.64 1.93 3h1jP1 LEU 235 HB3 0.03 -0.08 0.06 -0.04 1.64 1.60 3h1jP1 LEU 235 HG 0.00 0.32 0.05 -0.04 1.64 1.97 3h1jP1 LEU 235 HD13 -0.01 -0.03 -0.02 -0.04 0.93 0.82 3h1jP1 LEU 235 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 3h1jP1 MET 236 H 0.04 0.55 0.09 -0.55 8.47 8.60 3h1jP1 MET 236 HA 0.17 -0.01 0.44 -0.75 4.52 4.37 3h1jP1 MET 236 HB2 0.11 -0.04 0.12 -0.04 2.15 2.30 3h1jP1 MET 236 HB3 0.06 0.12 0.15 -0.04 2.03 2.32 3h1jP1 MET 236 HG2 0.20 -0.06 -0.05 -0.04 2.63 2.67 3h1jP1 MET 236 HG3 0.34 -0.05 0.05 -0.04 2.56 2.86 3h1jP1 MET 236 HE3 -0.21 -0.01 -0.06 -0.04 2.10 1.78 3h1jP1 LEU 237 H 0.04 0.62 -0.18 -0.55 8.37 8.31 3h1jP1 LEU 237 HA 0.09 -0.03 0.35 -0.75 4.35 4.02 3h1jP1 LEU 237 HB2 0.03 0.15 0.07 -0.04 1.64 1.85 3h1jP1 LEU 237 HB3 0.02 0.02 -0.04 -0.04 1.64 1.60 3h1jP1 LEU 237 HG 0.03 -0.04 -0.02 -0.04 1.64 1.58 3h1jP1 LEU 237 HD13 0.15 -0.01 -0.03 -0.04 0.93 1.00 3h1jP1 LEU 237 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 3h1jP1 THR 238 H 0.05 0.41 -0.28 -0.55 8.28 7.91 3h1jP1 THR 238 HA 0.03 -0.01 0.35 -0.75 4.39 4.00 3h1jP1 THR 238 HB 0.07 0.13 0.18 -0.04 4.32 4.66 3h1jP1 THR 238 HG23 0.07 -0.03 -0.07 -0.04 1.22 1.14 3h1jP1 PRO 239 HA 0.16 0.01 0.45 -0.51 4.44 4.55 3h1jP1 PRO 239 HB2 0.43 0.01 0.01 -0.04 2.28 2.69 3h1jP1 PRO 239 HB3 0.20 0.00 0.11 -0.04 2.02 2.29 3h1jP1 PRO 239 HG2 0.34 0.17 0.17 -0.04 2.03 2.66 3h1jP1 PRO 239 HG3 0.25 -0.00 0.11 -0.04 2.03 2.34 3h1jP1 PRO 239 HD2 0.11 0.24 -0.06 -0.04 3.68 3.93 3h1jP1 PRO 239 HD3 0.12 0.06 0.17 -0.04 3.65 3.96 3h1jP1 PHE 240 H -0.02 0.50 -0.18 -0.55 8.34 8.08 3h1jP1 PHE 240 HA -0.99 -0.02 0.37 -0.75 4.62 3.22 3h1jP1 PHE 240 HB2 -1.95 -0.01 0.09 -0.04 3.15 1.24 3h1jP1 PHE 240 HB3 -0.50 0.14 0.13 -0.04 3.06 2.78 3h1jP1 PHE 240 HD2 -0.40 -0.01 -0.03 -0.04 7.28 6.80 3h1jP1 PHE 240 HE2 -0.02 -0.08 -0.22 -0.04 7.38 7.01 3h1jP1 PHE 240 HZ -0.03 0.14 0.04 -0.04 7.32 7.43 3h1jP1 LEU 241 H -0.14 0.75 -0.07 -0.55 8.37 8.36 3h1jP1 LEU 241 HA -0.46 0.01 0.51 -0.75 4.35 3.66 3h1jP1 LEU 241 HB2 -0.08 0.10 0.12 -0.04 1.64 1.74 3h1jP1 LEU 241 HB3 -0.16 -0.07 0.02 -0.04 1.64 1.38 3h1jP1 LEU 241 HG -0.13 0.24 0.08 -0.04 1.64 1.78 3h1jP1 LEU 241 HD13 -0.09 -0.02 -0.04 -0.04 0.93 0.74 3h1jP1 LEU 241 HD23 -0.51 -0.03 -0.07 -0.04 0.89 0.24 3h1jP1 THR 242 H 0.03 0.84 0.01 -0.55 8.28 8.61 3h1jP1 THR 242 HA 0.28 -0.02 0.40 -0.75 4.39 4.29 3h1jP1 THR 242 HB 0.16 0.08 0.21 -0.04 4.32 4.72 3h1jP1 THR 242 HG23 0.22 -0.03 -0.08 -0.04 1.22 1.29 3h1jP1 LEU 243 H 0.13 0.84 -0.10 -0.55 8.37 8.69 3h1jP1 LEU 243 HA 0.17 -0.07 0.38 -0.75 4.35 4.09 3h1jP1 LEU 243 HB2 0.28 0.08 0.12 -0.04 1.64 2.08 3h1jP1 LEU 243 HB3 0.26 0.11 0.13 -0.04 1.64 2.10 3h1jP1 LEU 243 HG 0.23 0.06 -0.08 -0.04 1.64 1.82 3h1jP1 LEU 243 HD13 0.15 -0.04 0.05 -0.04 0.93 1.05 3h1jP1 LEU 243 HD23 0.39 -0.03 -0.02 -0.04 0.89 1.19 3h1jP1 ALA 244 H -0.06 0.60 -0.10 -0.55 8.40 8.29 3h1jP1 ALA 244 HA 0.05 0.01 0.29 -0.75 4.34 3.93 3h1jP1 ALA 244 HB3 -0.27 -0.03 0.06 -0.04 1.41 1.13 3h1jP1 LEU 245 H -0.10 0.92 -0.06 -0.55 8.37 8.58 3h1jP1 LEU 245 HA 0.02 0.06 0.64 -0.75 4.35 4.31 3h1jP1 LEU 245 HB2 -0.38 0.10 0.09 -0.04 1.64 1.41 3h1jP1 LEU 245 HB3 -0.46 -0.07 0.00 -0.04 1.64 1.08 3h1jP1 LEU 245 HG -0.13 -0.03 -0.01 -0.04 1.64 1.43 3h1jP1 LEU 245 HD13 -0.15 -0.02 -0.04 -0.04 0.93 0.68 3h1jP1 LEU 245 HD23 0.09 -0.01 0.01 -0.04 0.89 0.94 3h1jP1 PHE 246 H 0.05 0.66 -0.04 -0.55 8.34 8.45 3h1jP1 PHE 246 HA 0.04 0.13 0.96 -0.75 4.62 5.00 3h1jP1 PHE 246 HB2 0.04 0.20 0.17 -0.04 3.15 3.51 3h1jP1 PHE 246 HB3 0.03 -0.09 0.01 -0.04 3.06 2.97 3h1jP1 PHE 246 HD2 0.02 0.01 0.07 -0.04 7.28 7.35 3h1jP1 PHE 246 HE2 0.02 -0.03 -0.02 -0.04 7.38 7.31 3h1jP1 PHE 246 HZ 0.02 -0.04 -0.02 -0.04 7.32 7.24 3h1jP1 SER 247 H 0.19 0.37 0.12 -0.55 8.46 8.58 3h1jP1 SER 247 HA 0.12 0.16 0.92 -0.75 4.49 4.94 3h1jP1 SER 247 HB2 0.12 0.00 -0.03 -0.04 3.95 4.00 3h1jP1 SER 247 HB3 0.13 -0.02 0.20 -0.04 3.93 4.21 3h1jP1 PRO 248 HA 0.14 0.10 0.39 -0.51 4.44 4.56 3h1jP1 PRO 248 HB2 0.14 -0.09 0.05 -0.04 2.28 2.34 3h1jP1 PRO 248 HB3 0.17 0.01 0.08 -0.04 2.02 2.24 3h1jP1 PRO 248 HG2 0.09 -0.03 -0.01 -0.04 2.03 2.04 3h1jP1 PRO 248 HG3 0.12 0.39 -0.04 -0.04 2.03 2.46 3h1jP1 PRO 248 HD2 0.09 -0.01 0.02 -0.04 3.68 3.74 3h1jP1 PRO 248 HD3 0.10 0.27 -0.93 -0.04 3.65 3.05 3h1jP1 ASN 249 H 0.13 0.14 -0.16 -0.55 8.53 8.10 3h1jP1 ASN 249 HA 0.19 0.16 0.67 -0.75 4.76 5.03 3h1jP1 ASN 249 HB2 0.13 0.02 -0.02 -0.04 2.88 2.97 3h1jP1 ASN 249 HB3 0.24 0.04 0.05 -0.04 2.79 3.08 3h1jP1 ASN 249 HD21 0.13 0.02 -0.03 -0.04 7.03 7.11 3h1jP1 ASN 249 HD22 0.07 0.01 -0.02 -0.04 7.74 7.76 3h1jP1 LEU 250 H 0.13 0.50 -0.47 -0.55 8.37 7.99 3h1jP1 LEU 250 HA 0.09 0.04 0.31 -0.75 4.35 4.03 3h1jP1 LEU 250 HB2 0.10 0.09 0.15 -0.04 1.64 1.94 3h1jP1 LEU 250 HB3 0.11 -0.05 0.11 -0.04 1.64 1.77 3h1jP1 LEU 250 HG 0.04 -0.00 -0.15 -0.04 1.64 1.49 3h1jP1 LEU 250 HD13 0.05 -0.00 0.02 -0.04 0.93 0.96 3h1jP1 LEU 250 HD23 0.06 -0.01 -0.01 -0.04 0.89 0.88 3h1jP1 LEU 251 H 0.16 0.17 -0.13 -0.55 8.37 8.03 3h1jP1 LEU 251 HA 0.08 0.11 0.47 -0.75 4.35 4.26 3h1jP1 LEU 251 HB2 0.29 0.04 0.00 -0.04 1.64 1.94 3h1jP1 LEU 251 HB3 0.32 -0.08 0.14 -0.04 1.64 1.99 3h1jP1 LEU 251 HG 0.16 0.03 0.03 -0.04 1.64 1.82 3h1jP1 LEU 251 HD13 0.23 -0.01 0.01 -0.04 0.93 1.12 3h1jP1 LEU 251 HD23 -0.13 0.00 -0.09 -0.04 0.89 0.63 3h1jP1 GLY 252 H 0.16 0.38 -0.79 -0.55 8.43 7.63 3h1jP1 GLY 252 HA2 0.12 0.07 0.93 -0.51 4.01 4.62 3h1jP1 GLY 252 HA3 0.17 -0.00 0.19 -0.51 4.01 3.86 3h1jP1 ASP 253 H 0.13 0.07 0.16 -0.55 8.40 8.20 3h1jP1 ASP 253 HA 0.13 0.20 0.53 -0.75 4.63 4.74 3h1jP1 ASP 253 HB2 0.10 0.11 0.13 -0.04 2.71 3.00 3h1jP1 ASP 253 HB3 0.18 -0.11 0.13 -0.04 2.70 2.86 3h1jP1 PRO 254 HA 0.45 0.15 0.53 -0.51 4.44 5.05 3h1jP1 PRO 254 HB2 0.07 0.01 0.06 -0.04 2.28 2.38 3h1jP1 PRO 254 HB3 0.08 0.10 0.09 -0.04 2.02 2.26 3h1jP1 PRO 254 HG2 0.11 0.00 -0.00 -0.04 2.03 2.09 3h1jP1 PRO 254 HG3 0.08 0.08 0.07 -0.04 2.03 2.21 3h1jP1 PRO 254 HD2 0.11 0.05 0.27 -0.04 3.68 4.07 3h1jP1 PRO 254 HD3 0.11 0.34 0.26 -0.04 3.65 4.33 3h1jP1 GLU 255 H 0.17 0.15 -0.17 -0.55 8.60 8.20 3h1jP1 GLU 255 HA 0.14 0.14 0.48 -0.75 4.29 4.29 3h1jP1 GLU 255 HB2 0.12 0.09 0.13 -0.04 2.09 2.38 3h1jP1 GLU 255 HB3 0.14 -0.03 0.03 -0.04 1.99 2.09 3h1jP1 GLU 255 HG2 0.09 0.10 0.02 -0.04 2.34 2.52 3h1jP1 GLU 255 HG3 0.11 -0.12 0.03 -0.04 2.34 2.32 3h1jP1 ASN 256 H 0.22 0.30 -0.53 -0.55 8.53 7.98 3h1jP1 ASN 256 HA 0.11 -0.09 0.66 -0.75 4.76 4.69 3h1jP1 ASN 256 HB2 0.17 0.01 0.06 -0.04 2.88 3.07 3h1jP1 ASN 256 HB3 0.04 0.18 0.06 -0.04 2.79 3.03 3h1jP1 ASN 256 HD21 -0.33 0.02 0.06 -0.04 7.03 6.74 3h1jP1 ASN 256 HD22 -0.08 0.14 0.05 -0.04 7.74 7.81 3h1jP1 PHE 257 H 0.36 0.35 -0.64 -0.55 8.34 7.86 3h1jP1 PHE 257 HA 0.28 0.17 0.73 -0.75 4.62 5.05 3h1jP1 PHE 257 HB2 0.12 0.19 0.08 -0.04 3.15 3.50 3h1jP1 PHE 257 HB3 0.16 -0.03 0.14 -0.04 3.06 3.29 3h1jP1 PHE 257 HD2 0.12 -0.02 0.00 -0.04 7.28 7.34 3h1jP1 PHE 257 HE2 0.08 0.01 -0.05 -0.04 7.38 7.38 3h1jP1 PHE 257 HZ 0.08 -0.01 -0.05 -0.04 7.32 7.30 3h1jP1 THR 258 H 0.20 0.11 -0.18 -0.55 8.28 7.85 3h1jP1 THR 258 HA 0.01 0.25 0.93 -0.75 4.39 4.83 3h1jP1 THR 258 HB 0.06 -0.01 0.23 -0.04 4.32 4.57 3h1jP1 THR 258 HG23 -0.02 0.05 -0.07 -0.04 1.22 1.14 3h1jP1 PRO 259 HA -0.36 0.13 0.51 -0.51 4.44 4.21 3h1jP1 PRO 259 HB2 -0.29 0.00 0.06 -0.04 2.28 2.02 3h1jP1 PRO 259 HB3 -0.39 0.05 0.12 -0.04 2.02 1.75 3h1jP1 PRO 259 HG2 -0.59 0.01 0.08 -0.04 2.03 1.49 3h1jP1 PRO 259 HG3 -2.41 0.05 0.04 -0.04 2.03 -0.32 3h1jP1 PRO 259 HD2 -0.25 0.07 0.20 -0.04 3.68 3.65 3h1jP1 PRO 259 HD3 -0.40 0.33 0.19 -0.04 3.65 3.73 3h1jP1 ALA 260 H -0.21 0.45 0.11 -0.55 8.40 8.21 3h1jP1 ALA 260 HA -0.27 -0.04 0.13 -0.75 4.34 3.40 3h1jP1 ALA 260 HB3 -0.90 -0.00 -0.09 -0.04 1.41 0.38 3h1jP1 ASN 261 H -0.15 0.20 0.11 -0.55 8.53 8.15 3h1jP1 ASN 261 HA -0.19 0.19 0.87 -0.75 4.76 4.87 3h1jP1 ASN 261 HB2 -0.05 0.14 0.03 -0.04 2.88 2.95 3h1jP1 ASN 261 HB3 0.05 0.10 0.26 -0.04 2.79 3.16 3h1jP1 ASN 261 HD21 -0.02 -0.01 -0.06 -0.04 7.03 6.90 3h1jP1 ASN 261 HD22 -0.02 0.06 -0.01 -0.04 7.74 7.72 3h1jP1 PRO 262 HA -0.93 0.07 0.31 -0.51 4.44 3.38 3h1jP1 PRO 262 HB2 -0.14 0.02 -0.03 -0.04 2.28 2.09 3h1jP1 PRO 262 HB3 -0.22 0.05 0.07 -0.04 2.02 1.88 3h1jP1 PRO 262 HG2 -0.21 0.03 0.02 -0.04 2.03 1.83 3h1jP1 PRO 262 HG3 -0.78 0.02 -0.03 -0.04 2.03 1.19 3h1jP1 PRO 262 HD2 -0.20 0.09 0.14 -0.04 3.68 3.67 3h1jP1 PRO 262 HD3 -0.40 0.38 -0.08 -0.04 3.65 3.50 3h1jP1 LEU 263 H 0.01 0.02 -0.61 -0.55 8.37 7.24 3h1jP1 LEU 263 HA 0.15 0.22 0.83 -0.75 4.35 4.80 3h1jP1 LEU 263 HB2 0.02 0.00 -0.04 -0.04 1.64 1.58 3h1jP1 LEU 263 HB3 0.03 0.01 0.10 -0.04 1.64 1.74 3h1jP1 LEU 263 HG -0.01 -0.08 -0.14 -0.04 1.64 1.38 3h1jP1 LEU 263 HD13 0.00 0.00 -0.03 -0.04 0.93 0.87 3h1jP1 LEU 263 HD23 0.04 0.04 -0.11 -0.04 0.89 0.82 3h1jP1 VAL 264 H 0.27 0.56 -0.13 -0.55 8.24 8.39 3h1jP1 VAL 264 HA -0.09 0.17 0.91 -0.75 4.13 4.37 3h1jP1 VAL 264 HB 0.00 -0.02 0.05 -0.04 2.12 2.11 3h1jP1 VAL 264 HG13 -0.08 0.01 -0.17 -0.04 0.97 0.69 3h1jP1 VAL 264 HG23 -0.01 -0.01 -0.31 -0.04 0.95 0.58 3h1jP1 THR 265 H -0.45 0.16 0.04 -0.55 8.28 7.49 3h1jP1 THR 265 HA -1.49 0.13 0.69 -0.75 4.39 2.96 3h1jP1 THR 265 HB -0.55 -0.02 0.07 -0.04 4.32 3.78 3h1jP1 THR 265 HG23 -0.56 0.05 -0.09 -0.04 1.22 0.58 3h1jP1 PRO 266 HA -0.11 0.07 0.36 -0.51 4.44 4.25 3h1jP1 PRO 266 HB2 -0.03 0.03 -0.16 -0.04 2.28 2.08 3h1jP1 PRO 266 HB3 -0.01 0.01 0.04 -0.04 2.02 2.02 3h1jP1 PRO 266 HG2 0.06 -0.05 0.01 -0.04 2.03 2.01 3h1jP1 PRO 266 HG3 -0.00 0.06 0.05 -0.04 2.03 2.10 3h1jP1 PRO 266 HD2 -0.23 0.04 0.12 -0.04 3.68 3.58 3h1jP1 PRO 266 HD3 -0.19 0.33 0.28 -0.04 3.65 4.03 3h1jP1 PRO 267 HA -0.14 0.10 0.42 -0.51 4.44 4.32 3h1jP1 PRO 267 HB2 -0.39 0.02 0.01 -0.04 2.28 1.87 3h1jP1 PRO 267 HB3 -0.18 0.02 0.12 -0.04 2.02 1.94 3h1jP1 PRO 267 HG2 -0.39 -0.03 0.08 -0.04 2.03 1.66 3h1jP1 PRO 267 HG3 -0.22 0.04 0.07 -0.04 2.03 1.88 3h1jP1 PRO 267 HD2 -0.09 0.07 0.19 -0.04 3.68 3.80 3h1jP1 PRO 267 HD3 -0.12 0.15 0.18 -0.04 3.65 3.82 3h1jP1 HIS 268 H -0.08 0.09 -0.24 -0.55 8.41 7.64 3h1jP1 HIS 268 HA 0.00 0.20 0.81 -0.75 4.63 4.89 3h1jP1 HIS 268 HB2 0.01 -0.06 0.13 -0.04 3.26 3.30 3h1jP1 HIS 268 HB3 0.02 0.04 -0.01 -0.04 3.20 3.21 3h1jP1 HIS 268 HD2 0.01 0.14 -0.11 -0.04 6.97 6.96 3h1jP1 HIS 268 HE1 0.02 -0.02 -0.03 -0.04 7.75 7.68 3h1jP1 ILE 269 H 0.07 0.32 -0.08 -0.55 8.25 8.01 3h1jP1 ILE 269 HA 0.06 0.07 0.88 -0.75 4.18 4.43 3h1jP1 ILE 269 HB -0.01 0.04 -0.21 -0.04 1.89 1.67 3h1jP1 ILE 269 HG12 0.02 0.01 -0.39 -0.04 1.49 1.09 3h1jP1 ILE 269 HG13 0.08 -0.06 -0.13 -0.04 1.21 1.05 3h1jP1 ILE 269 HG23 0.00 0.02 -0.01 -0.04 0.93 0.90 3h1jP1 ILE 269 HD13 0.09 -0.01 -0.14 -0.04 0.88 0.78 3h1jP1 LYS 270 H 0.02 0.14 0.04 -0.55 8.42 8.07 3h1jP1 LYS 270 HA -0.18 0.30 0.96 -0.75 4.32 4.64 3h1jP1 LYS 270 HB2 -0.01 -0.11 0.00 -0.04 1.87 1.71 3h1jP1 LYS 270 HB3 -0.06 0.10 -0.06 -0.04 1.79 1.74 3h1jP1 LYS 270 HG2 0.02 -0.17 -0.35 -0.04 1.46 0.92 3h1jP1 LYS 270 HG3 0.00 0.06 -0.05 -0.04 1.46 1.43 3h1jP1 LYS 270 HD2 0.16 0.32 0.10 -0.04 1.69 2.22 3h1jP1 LYS 270 HD3 0.09 0.07 0.04 -0.04 1.68 1.84 3h1jP1 LYS 270 HE2 0.00 0.05 -0.59 -0.04 2.99 2.41 3h1jP1 LYS 270 HE3 0.13 0.08 -0.21 -0.04 2.99 2.94 3h1jP1 PRO 271 HA -0.14 -0.01 0.36 -0.51 4.44 4.14 3h1jP1 PRO 271 HB2 -0.24 -0.00 -0.18 -0.04 2.28 1.82 3h1jP1 PRO 271 HB3 -0.12 -0.02 -0.01 -0.04 2.02 1.84 3h1jP1 PRO 271 HG2 -1.61 0.05 -0.01 -0.04 2.03 0.42 3h1jP1 PRO 271 HG3 -0.61 0.03 -0.02 -0.04 2.03 1.39 3h1jP1 PRO 271 HD2 -0.76 0.19 0.11 -0.04 3.68 3.18 3h1jP1 PRO 271 HD3 -0.85 0.26 0.17 -0.04 3.65 3.18 3h1jP1 GLU 272 H -0.35 0.09 0.11 -0.55 8.60 7.90 3h1jP1 GLU 272 HA -0.46 0.11 0.42 -0.75 4.29 3.61 3h1jP1 GLU 272 HB2 -1.71 -0.06 0.04 -0.04 2.09 0.32 3h1jP1 GLU 272 HB3 -1.51 0.03 0.09 -0.04 1.99 0.55 3h1jP1 GLU 272 HG2 -1.07 0.08 0.04 -0.04 2.34 1.35 3h1jP1 GLU 272 HG3 -1.00 0.02 0.08 -0.04 2.34 1.40 3h1jP1 TRP 273 H -0.15 0.24 0.20 -0.55 7.97 7.70 3h1jP1 TRP 273 HA -0.14 0.13 0.30 -0.75 4.62 4.16 3h1jP1 TRP 273 HB2 -0.04 0.01 0.07 -0.04 3.23 3.23 3h1jP1 TRP 273 HB3 -0.10 0.11 0.17 -0.04 3.23 3.36 3h1jP1 TRP 273 HD1 -0.11 0.27 0.16 -0.04 7.22 7.50 3h1jP1 TRP 273 HE1 0.07 0.00 0.05 -0.04 10.20 10.28 3h1jP1 TRP 273 HE3 0.12 -0.02 -0.50 -0.04 7.59 7.15 3h1jP1 TRP 273 HZ2 0.09 -0.02 0.01 -0.04 7.44 7.48 3h1jP1 TRP 273 HZ3 0.40 0.01 -0.11 -0.04 7.13 7.40 3h1jP1 TRP 273 HH2 0.26 -0.02 -0.11 -0.04 7.19 7.27 3h1jP1 TYR 274 H -2.13 0.10 -0.27 -0.55 8.29 5.44 3h1jP1 TYR 274 HA -0.08 0.09 0.41 -0.75 4.56 4.22 3h1jP1 TYR 274 HB2 -0.99 0.03 0.10 -0.04 3.06 2.16 3h1jP1 TYR 274 HB3 -1.91 -0.01 0.06 -0.04 2.98 1.09 3h1jP1 TYR 274 HD2 -1.95 0.01 -0.14 -0.04 7.15 5.02 3h1jP1 TYR 274 HE2 -1.12 0.03 -0.09 -0.04 6.85 5.63 3h1jP1 PHE 275 H -0.29 0.73 -0.48 -0.55 8.34 7.75 3h1jP1 PHE 275 HA -0.11 0.18 0.89 -0.75 4.62 4.83 3h1jP1 PHE 275 HB2 -0.29 0.12 -0.05 -0.04 3.15 2.89 3h1jP1 PHE 275 HB3 -0.18 -0.05 -0.01 -0.04 3.06 2.78 3h1jP1 PHE 275 HD2 -0.04 0.09 -0.21 -0.04 7.28 7.08 3h1jP1 PHE 275 HE2 0.14 0.01 -0.08 -0.04 7.38 7.41 3h1jP1 PHE 275 HZ 0.16 0.15 -0.06 -0.04 7.32 7.53 3h1jP1 LEU 276 H 0.08 0.37 -0.10 -0.55 8.37 8.17 3h1jP1 LEU 276 HA 0.13 0.05 0.30 -0.75 4.35 4.08 3h1jP1 LEU 276 HB2 0.20 0.03 0.17 -0.04 1.64 1.99 3h1jP1 LEU 276 HB3 0.13 0.10 0.05 -0.04 1.64 1.87 3h1jP1 LEU 276 HG 0.04 0.00 -0.15 -0.04 1.64 1.49 3h1jP1 LEU 276 HD13 0.13 0.02 -0.02 -0.04 0.93 1.03 3h1jP1 LEU 276 HD23 0.03 -0.00 -0.21 -0.04 0.89 0.66 3h1jP1 PHE 277 H 0.34 0.18 -0.22 -0.55 8.34 8.08 3h1jP1 PHE 277 HA -0.03 0.05 0.04 -0.75 4.62 3.93 3h1jP1 PHE 277 HB2 -0.13 0.00 0.01 -0.04 3.15 2.99 3h1jP1 PHE 277 HB3 -0.04 0.02 0.02 -0.04 3.06 3.01 3h1jP1 PHE 277 HD2 -0.11 -0.00 -0.20 -0.04 7.28 6.93 3h1jP1 PHE 277 HE2 0.13 0.14 -0.03 -0.04 7.38 7.58 3h1jP1 PHE 277 HZ 0.12 0.02 -0.03 -0.04 7.32 7.39 3h1jP1 ALA 278 H -1.52 0.17 -0.30 -0.55 8.40 6.20 3h1jP1 ALA 278 HA -0.41 0.04 0.41 -0.75 4.34 3.62 3h1jP1 ALA 278 HB3 -0.68 0.03 0.05 -0.04 1.41 0.78 3h1jP1 TYR 279 H -0.13 0.65 -0.04 -0.55 8.29 8.22 3h1jP1 TYR 279 HA -0.14 -0.04 0.33 -0.75 4.56 3.96 3h1jP1 TYR 279 HB2 -0.09 -0.07 -0.01 -0.04 3.06 2.85 3h1jP1 TYR 279 HB3 -0.09 0.13 0.17 -0.04 2.98 3.15 3h1jP1 TYR 279 HD2 -0.06 -0.05 0.02 -0.04 7.15 7.02 3h1jP1 TYR 279 HE2 -0.04 0.16 0.04 -0.04 6.85 6.97 3h1jP1 ALA 280 H -0.04 0.79 -0.20 -0.55 8.40 8.40 3h1jP1 ALA 280 HA -0.31 0.02 0.32 -0.75 4.34 3.62 3h1jP1 ALA 280 HB3 -0.08 0.02 0.09 -0.04 1.41 1.40 3h1jP1 ILE 281 H -0.10 0.49 -0.05 -0.55 8.25 8.04 3h1jP1 ILE 281 HA -0.01 -0.06 0.35 -0.75 4.18 3.70 3h1jP1 ILE 281 HB -0.04 0.12 0.13 -0.04 1.89 2.06 3h1jP1 ILE 281 HG12 -0.03 -0.10 0.05 -0.04 1.49 1.37 3h1jP1 ILE 281 HG13 -0.09 0.34 0.14 -0.04 1.21 1.57 3h1jP1 ILE 281 HG23 0.22 -0.03 -0.14 -0.04 0.93 0.94 3h1jP1 ILE 281 HD13 -0.26 -0.03 -0.00 -0.04 0.88 0.55 3h1jP1 LEU 282 H -0.11 0.57 -0.22 -0.55 8.37 8.07 3h1jP1 LEU 282 HA -0.06 -0.01 0.51 -0.75 4.35 4.04 3h1jP1 LEU 282 HB2 -0.08 -0.06 0.08 -0.04 1.64 1.55 3h1jP1 LEU 282 HB3 -0.09 0.13 0.10 -0.04 1.64 1.74 3h1jP1 LEU 282 HG -0.06 -0.14 -0.10 -0.04 1.64 1.30 3h1jP1 LEU 282 HD13 -0.07 -0.02 -0.10 -0.04 0.93 0.70 3h1jP1 LEU 282 HD23 -0.05 0.01 -0.36 -0.04 0.89 0.45 3h1jP1 ARG 283 H -0.22 0.52 -0.10 -0.55 8.46 8.10 3h1jP1 ARG 283 HA -0.14 0.01 0.43 -0.75 4.34 3.89 3h1jP1 ARG 283 HB2 -0.33 0.14 0.11 -0.04 1.90 1.78 3h1jP1 ARG 283 HB3 -0.20 -0.09 -0.06 -0.04 1.80 1.40 3h1jP1 ARG 283 HG2 -0.25 -0.07 0.01 -0.04 1.67 1.33 3h1jP1 ARG 283 HG3 -0.76 0.09 -0.00 -0.04 1.67 0.96 3h1jP1 ARG 283 HD2 -0.21 -0.10 -0.01 -0.04 3.22 2.86 3h1jP1 ARG 283 HD3 -0.49 -0.00 -0.02 -0.04 3.22 2.67 3h1jP1 SER 284 H -0.10 0.39 -0.33 -0.55 8.46 7.88 3h1jP1 SER 284 HA -0.05 -0.04 0.33 -0.75 4.49 3.98 3h1jP1 SER 284 HB2 -0.02 0.24 0.14 -0.04 3.95 4.27 3h1jP1 SER 284 HB3 -0.01 -0.13 -0.02 -0.04 3.93 3.74 3h1jP1 ILE 285 H -0.04 0.26 -0.14 -0.55 8.25 7.78 3h1jP1 ILE 285 HA -0.03 0.05 0.50 -0.75 4.18 3.94 3h1jP1 ILE 285 HB -0.05 0.07 0.12 -0.04 1.89 2.00 3h1jP1 ILE 285 HG12 -0.05 -0.06 -0.17 -0.04 1.49 1.16 3h1jP1 ILE 285 HG13 -0.04 -0.00 -0.04 -0.04 1.21 1.09 3h1jP1 ILE 285 HG23 -0.04 -0.10 -0.12 -0.04 0.93 0.63 3h1jP1 ILE 285 HD13 -0.02 -0.02 0.02 -0.04 0.88 0.82 3h1jP1 PRO 286 HA -0.03 0.17 0.46 -0.51 4.44 4.53 3h1jP1 PRO 286 HB2 -0.02 -0.05 0.22 -0.04 2.28 2.39 3h1jP1 PRO 286 HB3 -0.02 0.09 0.13 -0.04 2.02 2.17 3h1jP1 PRO 286 HG2 -0.02 -0.06 -0.01 -0.04 2.03 1.91 3h1jP1 PRO 286 HG3 -0.02 -0.01 0.09 -0.04 2.03 2.06 3h1jP1 PRO 286 HD2 -0.02 -0.05 0.15 -0.04 3.68 3.72 3h1jP1 PRO 286 HD3 -0.02 0.38 0.35 -0.04 3.65 4.32 3h1jP1 ASN 287 H -0.03 0.64 -0.63 -0.55 8.53 7.95 3h1jP1 ASN 287 HA -0.02 0.12 0.67 -0.75 4.76 4.77 3h1jP1 ASN 287 HB2 -0.03 0.15 -0.09 -0.04 2.88 2.87 3h1jP1 ASN 287 HB3 -0.03 -0.03 -0.10 -0.04 2.79 2.58 3h1jP1 ASN 287 HD21 -0.03 -0.00 0.02 -0.04 7.03 6.97 3h1jP1 ASN 287 HD22 -0.03 0.11 0.02 -0.04 7.74 7.81 3h1jP1 LYS 288 H -0.02 0.16 0.11 -0.55 8.42 8.11 3h1jP1 LYS 288 HA -0.03 0.18 0.41 -0.75 4.32 4.13 3h1jP1 LYS 288 HB2 -0.02 0.05 0.13 -0.04 1.87 1.99 3h1jP1 LYS 288 HB3 -0.03 -0.11 0.19 -0.04 1.79 1.80 3h1jP1 LYS 288 HG2 -0.04 0.00 -0.19 -0.04 1.46 1.19 3h1jP1 LYS 288 HG3 -0.03 0.05 -0.00 -0.04 1.46 1.44 3h1jP1 LYS 288 HD2 -0.00 0.00 -0.01 -0.04 1.69 1.63 3h1jP1 LYS 288 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 3h1jP1 LYS 288 HE2 -0.05 -0.00 -0.19 -0.04 2.99 2.70 3h1jP1 LYS 288 HE3 -0.02 0.04 -0.08 -0.04 2.99 2.88 3h1jP1 LEU 289 H -0.04 0.10 0.03 -0.55 8.37 7.91 3h1jP1 LEU 289 HA -0.06 0.12 0.39 -0.75 4.35 4.04 3h1jP1 LEU 289 HB2 -0.05 0.08 0.13 -0.04 1.64 1.76 3h1jP1 LEU 289 HB3 -0.05 -0.05 0.08 -0.04 1.64 1.58 3h1jP1 LEU 289 HG -0.06 -0.03 -0.19 -0.04 1.64 1.33 3h1jP1 LEU 289 HD13 -0.07 0.04 0.07 -0.04 0.93 0.93 3h1jP1 LEU 289 HD23 -0.06 0.02 0.02 -0.04 0.89 0.82 3h1jP1 GLY 290 H -0.05 0.04 -0.31 -0.55 8.43 7.57 3h1jP1 GLY 290 HA2 -0.06 0.05 0.39 -0.51 4.01 3.88 3h1jP1 GLY 290 HA3 -0.05 0.05 0.25 -0.51 4.01 3.75 3h1jP1 GLY 291 H -0.05 0.48 -0.10 -0.55 8.43 8.21 3h1jP1 GLY 291 HA2 -0.05 -0.01 0.45 -0.51 4.01 3.89 3h1jP1 GLY 291 HA3 -0.05 0.30 0.43 -0.51 4.01 4.18 3h1jP1 VAL 292 H -0.07 0.40 -0.25 -0.55 8.24 7.78 3h1jP1 VAL 292 HA -0.10 0.03 0.47 -0.75 4.13 3.78 3h1jP1 VAL 292 HB -0.09 0.06 0.19 -0.04 2.12 2.23 3h1jP1 VAL 292 HG13 -0.17 -0.02 -0.10 -0.04 0.97 0.64 3h1jP1 VAL 292 HG23 -0.11 0.07 0.07 -0.04 0.95 0.94 3h1jP1 LEU 293 H -0.07 0.69 0.07 -0.55 8.37 8.51 3h1jP1 LEU 293 HA -0.05 -0.05 0.38 -0.75 4.35 3.87 3h1jP1 LEU 293 HB2 -0.07 0.12 0.20 -0.04 1.64 1.85 3h1jP1 LEU 293 HB3 -0.06 -0.07 0.02 -0.04 1.64 1.49 3h1jP1 LEU 293 HG -0.06 0.10 0.14 -0.04 1.64 1.77 3h1jP1 LEU 293 HD13 -0.05 -0.04 -0.12 -0.04 0.93 0.68 3h1jP1 LEU 293 HD23 -0.04 -0.02 0.01 -0.04 0.89 0.80 3h1jP1 ALA 294 H -0.06 0.82 -0.21 -0.55 8.40 8.40 3h1jP1 ALA 294 HA -0.12 -0.04 0.38 -0.75 4.34 3.80 3h1jP1 ALA 294 HB3 -0.03 0.03 0.01 -0.04 1.41 1.38 3h1jP1 LEU 295 H -0.04 0.68 -0.08 -0.55 8.37 8.38 3h1jP1 LEU 295 HA -0.02 -0.03 0.34 -0.75 4.35 3.89 3h1jP1 LEU 295 HB2 -0.08 0.05 0.15 -0.04 1.64 1.72 3h1jP1 LEU 295 HB3 -0.09 0.16 0.29 -0.04 1.64 1.96 3h1jP1 LEU 295 HG -0.13 -0.03 -0.20 -0.04 1.64 1.24 3h1jP1 LEU 295 HD13 -0.17 -0.01 -0.05 -0.04 0.93 0.66 3h1jP1 LEU 295 HD23 -0.16 -0.01 -0.05 -0.04 0.89 0.63 3h1jP1 ALA 296 H -0.04 0.80 -0.00 -0.55 8.40 8.61 3h1jP1 ALA 296 HA -0.01 -0.03 0.37 -0.75 4.34 3.92 3h1jP1 ALA 296 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 3h1jP1 ALA 297 H 0.06 0.83 -0.11 -0.55 8.40 8.63 3h1jP1 ALA 297 HA 0.16 -0.10 0.39 -0.75 4.34 4.04 3h1jP1 ALA 297 HB3 0.09 0.02 0.11 -0.04 1.41 1.59 3h1jP1 SER 298 H 0.28 0.79 -0.13 -0.55 8.46 8.85 3h1jP1 SER 298 HA 0.37 -0.04 0.32 -0.75 4.49 4.39 3h1jP1 SER 298 HB2 0.02 -0.11 0.07 -0.04 3.95 3.89 3h1jP1 SER 298 HB3 0.25 0.06 0.09 -0.04 3.93 4.28 3h1jP1 VAL 299 H 0.15 0.38 -0.46 -0.55 8.24 7.76 3h1jP1 VAL 299 HA 0.15 0.17 1.00 -0.75 4.13 4.69 3h1jP1 VAL 299 HB 0.06 0.09 0.13 -0.04 2.12 2.36 3h1jP1 VAL 299 HG13 0.03 -0.02 -0.10 -0.04 0.97 0.84 3h1jP1 VAL 299 HG23 0.15 -0.00 -0.11 -0.04 0.95 0.95 3h1jP1 LEU 300 H 0.12 0.75 0.27 -0.55 8.37 8.97 3h1jP1 LEU 300 HA 0.11 0.01 0.40 -0.75 4.35 4.12 3h1jP1 LEU 300 HB2 0.16 0.07 0.03 -0.04 1.64 1.86 3h1jP1 LEU 300 HB3 0.25 -0.05 -0.00 -0.04 1.64 1.79 3h1jP1 LEU 300 HG 0.12 0.10 0.09 -0.04 1.64 1.91 3h1jP1 LEU 300 HD13 0.12 -0.02 -0.05 -0.04 0.93 0.94 3h1jP1 LEU 300 HD23 0.30 -0.02 0.01 -0.04 0.89 1.15 3h1jP1 ILE 301 H 0.19 0.58 -0.35 -0.55 8.25 8.12 3h1jP1 ILE 301 HA 0.19 -0.02 0.33 -0.75 4.18 3.93 3h1jP1 ILE 301 HB 0.27 0.16 0.07 -0.04 1.89 2.35 3h1jP1 ILE 301 HG12 0.07 -0.06 -0.09 -0.04 1.49 1.37 3h1jP1 ILE 301 HG13 0.15 -0.04 0.05 -0.04 1.21 1.32 3h1jP1 ILE 301 HG23 0.11 -0.00 -0.23 -0.04 0.93 0.77 3h1jP1 ILE 301 HD13 0.08 0.00 -0.06 -0.04 0.88 0.86 3h1jP1 LEU 302 H 0.05 0.55 -0.47 -0.55 8.37 7.95 3h1jP1 LEU 302 HA 0.16 -0.01 0.34 -0.75 4.35 4.09 3h1jP1 LEU 302 HB2 -0.24 0.11 0.08 -0.04 1.64 1.55 3h1jP1 LEU 302 HB3 -0.16 -0.06 -0.00 -0.04 1.64 1.37 3h1jP1 LEU 302 HG 0.01 0.16 0.11 -0.04 1.64 1.88 3h1jP1 LEU 302 HD13 -0.21 -0.02 0.02 -0.04 0.93 0.68 3h1jP1 LEU 302 HD23 0.13 -0.02 0.01 -0.04 0.89 0.96 3h1jP1 PHE 303 H 0.12 0.60 -0.28 -0.55 8.34 8.22 3h1jP1 PHE 303 HA 0.29 0.01 0.41 -0.75 4.62 4.57 3h1jP1 PHE 303 HB2 0.15 0.17 0.12 -0.04 3.15 3.55 3h1jP1 PHE 303 HB3 0.20 -0.05 0.01 -0.04 3.06 3.19 3h1jP1 PHE 303 HD2 0.13 0.04 0.08 -0.04 7.28 7.49 3h1jP1 PHE 303 HE2 0.05 -0.02 0.02 -0.04 7.38 7.38 3h1jP1 PHE 303 HZ 0.02 -0.03 -0.05 -0.04 7.32 7.22 3h1jP1 LEU 304 H 0.26 0.50 -0.23 -0.55 8.37 8.35 3h1jP1 LEU 304 HA 0.49 0.06 0.53 -0.75 4.35 4.68 3h1jP1 LEU 304 HB2 0.14 0.17 0.10 -0.04 1.64 2.00 3h1jP1 LEU 304 HB3 0.16 -0.02 -0.06 -0.04 1.64 1.69 3h1jP1 LEU 304 HG 0.19 -0.02 0.00 -0.04 1.64 1.78 3h1jP1 LEU 304 HD13 0.10 -0.00 -0.02 -0.04 0.93 0.97 3h1jP1 LEU 304 HD23 0.18 -0.01 -0.08 -0.04 0.89 0.94 3h1jP1 ILE 305 H 0.06 0.26 -0.13 -0.55 8.25 7.88 3h1jP1 ILE 305 HA -0.25 0.02 0.28 -0.75 4.18 3.47 3h1jP1 ILE 305 HB -0.39 0.14 0.05 -0.04 1.89 1.64 3h1jP1 ILE 305 HG12 0.06 0.06 0.10 -0.04 1.49 1.67 3h1jP1 ILE 305 HG13 0.10 -0.05 0.04 -0.04 1.21 1.26 3h1jP1 ILE 305 HG23 -1.33 -0.03 -0.14 -0.04 0.93 -0.60 3h1jP1 ILE 305 HD13 -0.17 -0.01 -0.02 -0.04 0.88 0.63 3h1jP1 PRO 306 HA -0.21 0.01 0.35 -0.51 4.44 4.08 3h1jP1 PRO 306 HB2 -1.13 0.03 0.03 -0.04 2.28 1.16 3h1jP1 PRO 306 HB3 -0.43 0.04 0.06 -0.04 2.02 1.65 3h1jP1 PRO 306 HG2 -0.13 0.01 0.04 -0.04 2.03 1.91 3h1jP1 PRO 306 HG3 -0.59 -0.03 0.02 -0.04 2.03 1.39 3h1jP1 PRO 306 HD2 -0.10 0.34 -0.53 -0.04 3.68 3.35 3h1jP1 PRO 306 HD3 -0.24 0.14 -0.09 -0.04 3.65 3.42 3h1jP1 PHE 307 H -0.28 0.60 -0.09 -0.55 8.34 8.01 3h1jP1 PHE 307 HA 0.02 0.10 0.67 -0.75 4.62 4.65 3h1jP1 PHE 307 HB2 0.02 0.06 0.08 -0.04 3.15 3.27 3h1jP1 PHE 307 HB3 0.02 -0.06 0.17 -0.04 3.06 3.14 3h1jP1 PHE 307 HD2 0.04 0.02 0.08 -0.04 7.28 7.38 3h1jP1 PHE 307 HE2 0.07 0.03 0.02 -0.04 7.38 7.45 3h1jP1 PHE 307 HZ 0.05 -0.06 0.01 -0.04 7.32 7.27 3h1jP1 LEU 308 H -0.07 0.49 -0.46 -0.55 8.37 7.78 3h1jP1 LEU 308 HA 0.04 0.14 0.79 -0.75 4.35 4.57 3h1jP1 LEU 308 HB2 -0.12 0.10 0.04 -0.04 1.64 1.62 3h1jP1 LEU 308 HB3 -0.03 -0.07 0.15 -0.04 1.64 1.64 3h1jP1 LEU 308 HG 0.05 -0.01 -0.30 -0.04 1.64 1.34 3h1jP1 LEU 308 HD13 0.01 -0.04 0.01 -0.04 0.93 0.88 3h1jP1 LEU 308 HD23 0.06 0.03 -0.08 -0.04 0.89 0.86 3h1jP1 HIS 309 H 0.07 0.28 -0.25 -0.55 8.41 7.97 3h1jP1 HIS 309 HA -0.04 -0.02 0.65 -0.75 4.63 4.46 3h1jP1 HIS 309 HB2 0.16 0.01 0.10 -0.04 3.26 3.50 3h1jP1 HIS 309 HB3 -0.00 0.07 0.19 -0.04 3.20 3.41 3h1jP1 HIS 309 HD2 -0.05 0.03 -0.21 -0.04 6.97 6.70 3h1jP1 HIS 309 HE1 -0.16 0.18 0.08 -0.04 7.75 7.81 3h1jP1 LYS 310 H -0.23 0.03 0.23 -0.55 8.42 7.90 3h1jP1 LYS 310 HA -0.02 0.21 0.79 -0.75 4.32 4.55 3h1jP1 LYS 310 HB2 -0.06 -0.02 0.11 -0.04 1.87 1.86 3h1jP1 LYS 310 HB3 -0.03 -0.07 0.03 -0.04 1.79 1.68 3h1jP1 LYS 310 HG2 -0.01 0.10 -0.30 -0.04 1.46 1.21 3h1jP1 LYS 310 HG3 -0.00 -0.03 -0.02 -0.04 1.46 1.38 3h1jP1 LYS 310 HD2 0.01 -0.07 -0.01 -0.04 1.69 1.57 3h1jP1 LYS 310 HD3 0.02 0.18 -0.19 -0.04 1.68 1.65 3h1jP1 LYS 310 HE2 0.04 0.11 -0.09 -0.04 2.99 3.00 3h1jP1 LYS 310 HE3 0.02 -0.06 -0.05 -0.04 2.99 2.86 3h1jP1 SER 311 H -0.48 -0.05 0.12 -0.55 8.46 7.51 3h1jP1 SER 311 HA -0.10 0.08 0.43 -0.75 4.49 4.14 3h1jP1 SER 311 HB2 -0.22 -0.07 0.16 -0.04 3.95 3.78 3h1jP1 SER 311 HB3 -0.49 0.18 0.12 -0.04 3.93 3.69 3h1jP1 LYS 312 H -0.02 0.09 0.21 -0.55 8.42 8.15 3h1jP1 LYS 312 HA -0.03 0.18 0.61 -0.75 4.32 4.33 3h1jP1 LYS 312 HB2 -0.01 -0.04 0.13 -0.04 1.87 1.90 3h1jP1 LYS 312 HB3 -0.21 -0.01 0.14 -0.04 1.79 1.66 3h1jP1 LYS 312 HG2 -0.06 0.13 -0.01 -0.04 1.46 1.48 3h1jP1 LYS 312 HG3 -0.04 -0.06 0.07 -0.04 1.46 1.39 3h1jP1 LYS 312 HD2 -0.51 -0.04 0.05 -0.04 1.69 1.15 3h1jP1 LYS 312 HD3 -0.21 0.02 0.07 -0.04 1.68 1.53 3h1jP1 LYS 312 HE2 -0.06 -0.07 0.02 -0.04 2.99 2.85 3h1jP1 LYS 312 HE3 -0.12 -0.03 0.03 -0.04 2.99 2.83 3h1jP1 GLN 313 H 0.00 -0.00 -0.18 -0.55 8.47 7.74 3h1jP1 GLN 313 HA 0.04 0.18 0.83 -0.75 4.36 4.65 3h1jP1 GLN 313 HB2 0.03 0.01 0.00 -0.04 2.15 2.15 3h1jP1 GLN 313 HB3 0.08 -0.02 0.06 -0.04 2.02 2.10 3h1jP1 GLN 313 HG2 0.10 0.10 -0.15 -0.04 2.40 2.42 3h1jP1 GLN 313 HG3 0.08 -0.11 -0.12 -0.04 2.39 2.21 3h1jP1 GLN 313 HE21 0.15 0.00 0.00 -0.04 6.97 7.09 3h1jP1 GLN 313 HE22 0.16 0.02 -0.01 -0.04 7.69 7.83 3h1jP1 ARG 314 H 0.00 0.17 0.17 -0.55 8.46 8.26 3h1jP1 ARG 314 HA 0.01 0.17 0.57 -0.75 4.34 4.33 3h1jP1 ARG 314 HB2 -0.10 0.01 0.12 -0.04 1.90 1.89 3h1jP1 ARG 314 HB3 -0.07 -0.01 0.23 -0.04 1.80 1.91 3h1jP1 ARG 314 HG2 -0.20 0.10 -0.21 -0.04 1.67 1.32 3h1jP1 ARG 314 HG3 -0.35 0.01 0.11 -0.04 1.67 1.40 3h1jP1 ARG 314 HD2 -0.18 -0.03 -0.00 -0.04 3.22 2.97 3h1jP1 ARG 314 HD3 -0.16 -0.14 -0.01 -0.04 3.22 2.87 3h1jP1 THR 315 H -0.08 0.03 0.01 -0.55 8.28 7.70 3h1jP1 THR 315 HA -0.19 0.35 0.88 -0.75 4.39 4.67 3h1jP1 THR 315 HB -0.12 -0.10 0.22 -0.04 4.32 4.28 3h1jP1 THR 315 HG23 0.08 0.10 -0.07 -0.04 1.22 1.29 3h1jP1 MET 316 H -0.69 0.41 0.22 -0.55 8.47 7.86 3h1jP1 MET 316 HA -0.29 0.14 0.73 -0.75 4.52 4.34 3h1jP1 MET 316 HB2 -1.78 0.04 0.09 -0.04 2.15 0.47 3h1jP1 MET 316 HB3 -0.58 -0.07 0.11 -0.04 2.03 1.44 3h1jP1 MET 316 HG2 -0.28 -0.08 -0.04 -0.04 2.63 2.20 3h1jP1 MET 316 HG3 -0.48 0.17 -0.03 -0.04 2.56 2.17 3h1jP1 MET 316 HE3 -0.23 0.01 -0.05 -0.04 2.10 1.79 3h1jP1 THR 317 H -0.36 0.14 -0.22 -0.55 8.28 7.30 3h1jP1 THR 317 HA -0.09 0.05 0.32 -0.75 4.39 3.92 3h1jP1 THR 317 HB -0.97 0.03 -0.02 -0.04 4.32 3.31 3h1jP1 THR 317 HG23 -0.25 -0.01 -0.09 -0.04 1.22 0.83 3h1jP1 PHE 318 H -0.20 0.13 -0.42 -0.55 8.34 7.30 3h1jP1 PHE 318 HA 0.02 0.22 0.83 -0.75 4.62 4.94 3h1jP1 PHE 318 HB2 0.01 0.03 0.01 -0.04 3.15 3.15 3h1jP1 PHE 318 HB3 0.02 0.02 0.15 -0.04 3.06 3.21 3h1jP1 PHE 318 HD2 0.03 0.09 -0.12 -0.04 7.28 7.24 3h1jP1 PHE 318 HE2 0.04 0.03 -0.04 -0.04 7.38 7.36 3h1jP1 PHE 318 HZ 0.04 -0.03 -0.04 -0.04 7.32 7.25 3h1jP1 ARG 319 H -0.02 0.47 -0.50 -0.55 8.46 7.86 3h1jP1 ARG 319 HA 0.05 0.24 0.91 -0.75 4.34 4.79 3h1jP1 ARG 319 HB2 -0.09 0.02 0.21 -0.04 1.90 2.00 3h1jP1 ARG 319 HB3 -0.01 -0.21 0.15 -0.04 1.80 1.68 3h1jP1 ARG 319 HG2 0.03 0.08 -0.01 -0.04 1.67 1.73 3h1jP1 ARG 319 HG3 0.01 0.01 -0.24 -0.04 1.67 1.41 3h1jP1 ARG 319 HD2 -0.03 -0.08 0.03 -0.04 3.22 3.10 3h1jP1 ARG 319 HD3 -0.03 -0.03 0.01 -0.04 3.22 3.13 3h1jP1 PRO 320 HA 0.08 0.10 0.39 -0.51 4.44 4.50 3h1jP1 PRO 320 HB2 0.06 0.03 -0.02 -0.04 2.28 2.31 3h1jP1 PRO 320 HB3 0.07 0.08 0.07 -0.04 2.02 2.20 3h1jP1 PRO 320 HG2 0.04 -0.08 0.08 -0.04 2.03 2.02 3h1jP1 PRO 320 HG3 0.04 0.11 0.04 -0.04 2.03 2.19 3h1jP1 PRO 320 HD2 0.05 0.16 0.18 -0.04 3.68 4.03 3h1jP1 PRO 320 HD3 0.08 0.24 -0.11 -0.04 3.65 3.82 3h1jP1 LEU 321 H 0.03 0.17 -0.17 -0.55 8.37 7.86 3h1jP1 LEU 321 HA 0.03 0.10 0.49 -0.75 4.35 4.22 3h1jP1 LEU 321 HB2 0.01 0.01 0.05 -0.04 1.64 1.68 3h1jP1 LEU 321 HB3 0.00 0.02 0.03 -0.04 1.64 1.66 3h1jP1 LEU 321 HG 0.02 -0.01 0.06 -0.04 1.64 1.67 3h1jP1 LEU 321 HD13 0.01 0.03 0.01 -0.04 0.93 0.93 3h1jP1 LEU 321 HD23 0.02 0.00 -0.04 -0.04 0.89 0.83 3h1jP1 SER 322 H 0.02 0.11 -0.15 -0.55 8.46 7.90 3h1jP1 SER 322 HA 0.09 0.04 0.39 -0.75 4.49 4.25 3h1jP1 SER 322 HB2 -0.04 0.14 0.17 -0.04 3.95 4.18 3h1jP1 SER 322 HB3 0.06 0.04 0.03 -0.04 3.93 4.03 3h1jP1 GLN 323 H 0.04 0.58 -0.17 -0.55 8.47 8.38 3h1jP1 GLN 323 HA 0.09 -0.01 0.34 -0.75 4.36 4.03 3h1jP1 GLN 323 HB2 0.16 0.12 0.13 -0.04 2.15 2.52 3h1jP1 GLN 323 HB3 0.35 -0.06 -0.02 -0.04 2.02 2.25 3h1jP1 GLN 323 HG2 0.08 -0.11 -0.01 -0.04 2.40 2.31 3h1jP1 GLN 323 HG3 -0.05 0.24 0.04 -0.04 2.39 2.58 3h1jP1 GLN 323 HE21 0.11 0.06 -0.09 -0.04 6.97 7.00 3h1jP1 GLN 323 HE22 0.01 0.22 -0.23 -0.04 7.69 7.65 3h1jP1 THR 324 H 0.13 0.42 -0.25 -0.55 8.28 8.03 3h1jP1 THR 324 HA 0.30 0.02 0.51 -0.75 4.39 4.47 3h1jP1 THR 324 HB 0.07 0.12 0.20 -0.04 4.32 4.67 3h1jP1 THR 324 HG23 0.06 -0.02 -0.13 -0.04 1.22 1.10 3h1jP1 LEU 325 H 0.02 0.57 -0.01 -0.55 8.37 8.41 3h1jP1 LEU 325 HA -0.13 -0.02 0.39 -0.75 4.35 3.84 3h1jP1 LEU 325 HB2 -0.21 0.04 0.13 -0.04 1.64 1.55 3h1jP1 LEU 325 HB3 -0.39 0.14 0.12 -0.04 1.64 1.48 3h1jP1 LEU 325 HG -1.23 0.02 -0.02 -0.04 1.64 0.37 3h1jP1 LEU 325 HD13 -0.26 -0.02 0.07 -0.04 0.93 0.68 3h1jP1 LEU 325 HD23 -0.65 -0.03 -0.13 -0.04 0.89 0.04 3h1jP1 PHE 326 H 0.22 0.55 -0.38 -0.55 8.34 8.17 3h1jP1 PHE 326 HA 0.20 0.03 0.41 -0.75 4.62 4.50 3h1jP1 PHE 326 HB2 0.03 0.05 0.05 -0.04 3.15 3.24 3h1jP1 PHE 326 HB3 -0.21 0.22 0.20 -0.04 3.06 3.23 3h1jP1 PHE 326 HD2 -1.12 0.05 -0.07 -0.04 7.28 6.10 3h1jP1 PHE 326 HE2 -1.18 0.01 -0.03 -0.04 7.38 6.14 3h1jP1 PHE 326 HZ -0.58 -0.05 -0.07 -0.04 7.32 6.58 3h1jP1 TRP 327 H 0.23 0.57 0.06 -0.55 7.97 8.28 3h1jP1 TRP 327 HA -0.14 -0.03 0.43 -0.75 4.62 4.13 3h1jP1 TRP 327 HB2 0.07 0.11 0.15 -0.04 3.23 3.52 3h1jP1 TRP 327 HB3 0.03 -0.05 0.08 -0.04 3.23 3.24 3h1jP1 TRP 327 HD1 0.17 0.12 -0.01 -0.04 7.22 7.45 3h1jP1 TRP 327 HE1 0.08 -0.02 -0.00 -0.04 10.20 10.22 3h1jP1 TRP 327 HE3 -0.02 -0.04 0.06 -0.04 7.59 7.54 3h1jP1 TRP 327 HZ2 -0.19 -0.01 -0.01 -0.04 7.44 7.18 3h1jP1 TRP 327 HZ3 0.02 -0.01 -0.01 -0.04 7.13 7.09 3h1jP1 TRP 327 HH2 -0.06 -0.02 -0.01 -0.04 7.19 7.05 3h1jP1 LEU 328 H 0.09 0.46 -0.55 -0.55 8.37 7.83 3h1jP1 LEU 328 HA 0.06 0.01 0.47 -0.75 4.35 4.13 3h1jP1 LEU 328 HB2 0.02 0.19 0.12 -0.04 1.64 1.92 3h1jP1 LEU 328 HB3 -0.05 0.09 0.09 -0.04 1.64 1.73 3h1jP1 LEU 328 HG 0.00 -0.05 0.00 -0.04 1.64 1.55 3h1jP1 LEU 328 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.91 3h1jP1 LEU 328 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 3h1jP1 LEU 329 H -0.09 0.55 -0.04 -0.55 8.37 8.24 3h1jP1 LEU 329 HA -0.04 -0.02 0.42 -0.75 4.35 3.95 3h1jP1 LEU 329 HB2 -0.05 0.04 0.17 -0.04 1.64 1.75 3h1jP1 LEU 329 HB3 -0.23 0.21 0.25 -0.04 1.64 1.83 3h1jP1 LEU 329 HG -0.10 -0.06 -0.20 -0.04 1.64 1.24 3h1jP1 LEU 329 HD13 -0.06 -0.02 0.05 -0.04 0.93 0.86 3h1jP1 LEU 329 HD23 -0.04 0.00 -0.03 -0.04 0.89 0.78 3h1jP1 VAL 330 H -0.29 0.50 -0.11 -0.55 8.24 7.79 3h1jP1 VAL 330 HA -0.19 0.03 0.40 -0.75 4.13 3.61 3h1jP1 VAL 330 HB 0.08 0.10 0.12 -0.04 2.12 2.38 3h1jP1 VAL 330 HG13 0.05 -0.02 -0.08 -0.04 0.97 0.89 3h1jP1 VAL 330 HG23 -0.76 0.06 0.01 -0.04 0.95 0.21 3h1jP1 ALA 331 H 0.03 0.53 -0.22 -0.55 8.40 8.19 3h1jP1 ALA 331 HA 0.03 -0.01 0.50 -0.75 4.34 4.10 3h1jP1 ALA 331 HB3 0.04 0.03 0.12 -0.04 1.41 1.56 3h1jP1 ASN 332 H 0.01 0.63 -0.13 -0.55 8.53 8.50 3h1jP1 ASN 332 HA 0.05 -0.02 0.43 -0.75 4.76 4.46 3h1jP1 ASN 332 HB2 0.02 0.07 0.10 -0.04 2.88 3.03 3h1jP1 ASN 332 HB3 0.04 0.21 0.23 -0.04 2.79 3.24 3h1jP1 ASN 332 HD21 0.09 0.25 0.08 -0.04 7.03 7.41 3h1jP1 ASN 332 HD22 0.06 -0.10 -0.03 -0.04 7.74 7.63 3h1jP1 LEU 333 H -0.02 0.57 -0.18 -0.55 8.37 8.20 3h1jP1 LEU 333 HA -0.04 0.01 0.44 -0.75 4.35 4.01 3h1jP1 LEU 333 HB2 -0.13 0.16 0.17 -0.04 1.64 1.81 3h1jP1 LEU 333 HB3 -0.23 -0.08 -0.00 -0.04 1.64 1.30 3h1jP1 LEU 333 HG -0.02 0.13 0.07 -0.04 1.64 1.78 3h1jP1 LEU 333 HD13 -0.22 -0.01 -0.02 -0.04 0.93 0.64 3h1jP1 LEU 333 HD23 -0.31 -0.01 -0.01 -0.04 0.89 0.52 3h1jP1 LEU 334 H -0.01 0.57 -0.04 -0.55 8.37 8.34 3h1jP1 LEU 334 HA 0.03 -0.02 0.38 -0.75 4.35 3.98 3h1jP1 LEU 334 HB2 0.01 0.08 0.17 -0.04 1.64 1.86 3h1jP1 LEU 334 HB3 0.02 0.15 0.17 -0.04 1.64 1.94 3h1jP1 LEU 334 HG 0.01 -0.01 -0.08 -0.04 1.64 1.53 3h1jP1 LEU 334 HD13 0.01 -0.02 0.05 -0.04 0.93 0.93 3h1jP1 LEU 334 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.83 3h1jP1 ILE 335 H 0.07 0.53 -0.52 -0.55 8.25 7.78 3h1jP1 ILE 335 HA 0.28 -0.01 0.46 -0.75 4.18 4.16 3h1jP1 ILE 335 HB 0.11 0.28 0.24 -0.04 1.89 2.48 3h1jP1 ILE 335 HG12 0.12 -0.08 0.01 -0.04 1.49 1.50 3h1jP1 ILE 335 HG13 0.07 0.21 0.04 -0.04 1.21 1.49 3h1jP1 ILE 335 HG23 0.27 -0.03 -0.15 -0.04 0.93 0.98 3h1jP1 ILE 335 HD13 0.08 -0.03 -0.04 -0.04 0.88 0.84 3h1jP1 LEU 336 H 0.08 0.56 0.09 -0.55 8.37 8.55 3h1jP1 LEU 336 HA 0.03 -0.02 0.40 -0.75 4.35 4.00 3h1jP1 LEU 336 HB2 0.04 0.05 0.24 -0.04 1.64 1.93 3h1jP1 LEU 336 HB3 0.04 0.02 0.09 -0.04 1.64 1.74 3h1jP1 LEU 336 HG 0.03 0.04 0.04 -0.04 1.64 1.72 3h1jP1 LEU 336 HD13 -0.10 0.00 -0.13 -0.04 0.93 0.67 3h1jP1 LEU 336 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.78 3h1jP1 THR 337 H 0.11 0.76 -0.22 -0.55 8.28 8.38 3h1jP1 THR 337 HA 0.15 -0.11 0.20 -0.75 4.39 3.88 3h1jP1 THR 337 HB 0.13 0.16 0.11 -0.04 4.32 4.68 3h1jP1 THR 337 HG23 0.17 -0.01 -0.12 -0.04 1.22 1.22 3h1jP1 TRP 338 H 0.27 0.49 -0.15 -0.55 7.97 8.03 3h1jP1 TRP 338 HA -0.03 -0.03 0.36 -0.75 4.62 4.17 3h1jP1 TRP 338 HB2 -0.02 -0.03 0.14 -0.04 3.23 3.28 3h1jP1 TRP 338 HB3 -0.02 0.19 0.26 -0.04 3.23 3.62 3h1jP1 TRP 338 HD1 -0.06 -0.01 -0.00 -0.04 7.22 7.10 3h1jP1 TRP 338 HE1 -0.03 -0.02 -0.06 -0.04 10.20 10.04 3h1jP1 TRP 338 HE3 0.01 0.06 0.01 -0.04 7.59 7.63 3h1jP1 TRP 338 HZ2 0.43 -0.02 -0.05 -0.04 7.44 7.76 3h1jP1 TRP 338 HZ3 0.08 -0.04 -0.05 -0.04 7.13 7.08 3h1jP1 TRP 338 HH2 0.22 -0.05 -0.05 -0.04 7.19 7.27 3h1jP1 ILE 339 H -0.05 0.67 -0.11 -0.55 8.25 8.21 3h1jP1 ILE 339 HA -1.05 -0.05 0.34 -0.75 4.18 2.66 3h1jP1 ILE 339 HB -0.15 0.13 0.15 -0.04 1.89 1.98 3h1jP1 ILE 339 HG12 -0.14 0.14 -0.01 -0.04 1.49 1.43 3h1jP1 ILE 339 HG13 -0.09 -0.07 -0.12 -0.04 1.21 0.89 3h1jP1 ILE 339 HG23 -0.26 -0.02 -0.15 -0.04 0.93 0.46 3h1jP1 ILE 339 HD13 -0.63 -0.00 -0.00 -0.04 0.88 0.21 3h1jP1 GLY 340 H -0.08 0.59 -0.20 -0.55 8.43 8.20 3h1jP1 GLY 340 HA2 -0.06 -0.02 0.31 -0.51 4.01 3.72 3h1jP1 GLY 340 HA3 0.10 -0.05 0.28 -0.51 4.01 3.83 3h1jP1 SER 341 H -0.11 0.42 -0.42 -0.55 8.46 7.81 3h1jP1 SER 341 HA -0.01 0.01 0.48 -0.75 4.49 4.21 3h1jP1 SER 341 HB2 -0.01 -0.11 0.10 -0.04 3.95 3.89 3h1jP1 SER 341 HB3 0.02 -0.05 0.07 -0.04 3.93 3.93 3h1jP1 GLN 342 H -0.40 0.69 -0.25 -0.55 8.47 7.96 3h1jP1 GLN 342 HA -0.31 0.11 0.90 -0.75 4.36 4.31 3h1jP1 GLN 342 HB2 -1.23 0.05 0.11 -0.04 2.15 1.05 3h1jP1 GLN 342 HB3 -1.60 -0.07 0.07 -0.04 2.02 0.37 3h1jP1 GLN 342 HG2 -1.03 0.26 -0.06 -0.04 2.40 1.52 3h1jP1 GLN 342 HG3 -2.01 -0.13 -0.06 -0.04 2.39 0.15 3h1jP1 GLN 342 HE21 0.09 -0.05 -0.07 -0.04 6.97 6.91 3h1jP1 GLN 342 HE22 0.18 -0.02 -0.09 -0.04 7.69 7.72 3h1jP1 PRO 343 HA 0.01 0.08 0.40 -0.51 4.44 4.42 3h1jP1 PRO 343 HB2 0.07 0.00 -0.10 -0.04 2.28 2.22 3h1jP1 PRO 343 HB3 0.05 0.04 0.08 -0.04 2.02 2.15 3h1jP1 PRO 343 HG2 0.23 -0.04 0.01 -0.04 2.03 2.19 3h1jP1 PRO 343 HG3 0.10 0.02 0.04 -0.04 2.03 2.15 3h1jP1 PRO 343 HD2 -0.10 0.05 0.23 -0.04 3.68 3.82 3h1jP1 PRO 343 HD3 -0.05 0.17 0.18 -0.04 3.65 3.91 3h1jP1 VAL 344 H 0.01 0.15 0.10 -0.55 8.24 7.95 3h1jP1 VAL 344 HA -0.01 0.11 0.46 -0.75 4.13 3.92 3h1jP1 VAL 344 HB 0.00 -0.04 0.24 -0.04 2.12 2.28 3h1jP1 VAL 344 HG13 -0.02 -0.00 -0.03 -0.04 0.97 0.87 3h1jP1 VAL 344 HG23 -0.05 0.02 0.06 -0.04 0.95 0.95 3h1jP1 GLU 345 H 0.12 0.54 0.32 -0.55 8.60 9.04 3h1jP1 GLU 345 HA 0.05 0.11 0.64 -0.75 4.29 4.34 3h1jP1 GLU 345 HB2 0.11 0.06 -0.14 -0.04 2.09 2.08 3h1jP1 GLU 345 HB3 0.04 -0.04 0.09 -0.04 1.99 2.04 3h1jP1 GLU 345 HG2 0.04 0.07 -0.05 -0.04 2.34 2.36 3h1jP1 GLU 345 HG3 0.07 -0.09 -0.78 -0.04 2.34 1.49 3h1jP1 HIS 346 H 0.10 0.18 0.15 -0.55 8.41 8.30 3h1jP1 HIS 346 HA -0.05 -0.08 0.48 -0.75 4.63 4.23 3h1jP1 HIS 346 HB2 -0.03 0.02 0.11 -0.04 3.26 3.32 3h1jP1 HIS 346 HB3 -0.06 0.05 0.12 -0.04 3.20 3.27 3h1jP1 HIS 346 HD2 -0.06 0.02 -0.08 -0.04 6.97 6.81 3h1jP1 HIS 346 HE1 -0.01 0.02 0.04 -0.04 7.75 7.76 3h1jP1 PRO 347 HA -1.10 0.01 0.37 -0.51 4.44 3.20 3h1jP1 PRO 347 HB2 -0.28 0.02 0.07 -0.04 2.28 2.04 3h1jP1 PRO 347 HB3 -0.79 0.04 0.10 -0.04 2.02 1.33 3h1jP1 PRO 347 HG2 -0.35 0.06 -0.06 -0.04 2.03 1.65 3h1jP1 PRO 347 HG3 -0.28 0.06 0.06 -0.04 2.03 1.82 3h1jP1 PRO 347 HD2 -0.94 0.16 0.33 -0.04 3.68 3.19 3h1jP1 PRO 347 HD3 -0.48 0.11 0.19 -0.04 3.65 3.43 3h1jP1 PHE 348 H -0.48 0.26 -0.20 -0.55 8.34 7.37 3h1jP1 PHE 348 HA -0.26 -0.01 0.39 -0.75 4.62 3.98 3h1jP1 PHE 348 HB2 -0.14 0.41 0.24 -0.04 3.15 3.62 3h1jP1 PHE 348 HB3 -0.27 0.08 0.01 -0.04 3.06 2.84 3h1jP1 PHE 348 HD2 -0.29 0.02 -0.03 -0.04 7.28 6.94 3h1jP1 PHE 348 HE2 0.15 -0.02 -0.02 -0.04 7.38 7.44 3h1jP1 PHE 348 HZ 0.12 -0.02 -0.02 -0.04 7.32 7.37 3h1jP1 ILE 349 H 0.08 0.52 -0.11 -0.55 8.25 8.20 3h1jP1 ILE 349 HA -0.01 0.12 0.30 -0.75 4.18 3.85 3h1jP1 ILE 349 HB 0.07 -0.15 -0.09 -0.04 1.89 1.68 3h1jP1 ILE 349 HG12 -0.00 0.10 -0.10 -0.04 1.49 1.45 3h1jP1 ILE 349 HG13 0.05 0.06 -0.08 -0.04 1.21 1.20 3h1jP1 ILE 349 HG23 0.01 0.03 -0.20 -0.04 0.93 0.73 3h1jP1 ILE 349 HD13 0.03 0.03 -0.35 -0.04 0.88 0.54 3h1jP1 ILE 350 H 0.09 0.06 -0.18 -0.55 8.25 7.68 3h1jP1 ILE 350 HA 0.04 0.06 0.38 -0.75 4.18 3.91 3h1jP1 ILE 350 HB 0.10 -0.02 0.08 -0.04 1.89 2.01 3h1jP1 ILE 350 HG12 0.08 -0.01 -0.03 -0.04 1.49 1.49 3h1jP1 ILE 350 HG13 0.06 0.01 -0.25 -0.04 1.21 0.99 3h1jP1 ILE 350 HG23 0.13 -0.02 0.07 -0.04 0.93 1.08 3h1jP1 ILE 350 HD13 0.04 -0.00 0.02 -0.04 0.88 0.90 3h1jP1 ILE 351 H 0.05 0.55 -0.09 -0.55 8.25 8.20 3h1jP1 ILE 351 HA 0.08 -0.03 0.38 -0.75 4.18 3.85 3h1jP1 ILE 351 HB 0.05 0.14 0.11 -0.04 1.89 2.15 3h1jP1 ILE 351 HG12 0.11 -0.08 0.01 -0.04 1.49 1.49 3h1jP1 ILE 351 HG13 0.05 0.46 0.00 -0.04 1.21 1.68 3h1jP1 ILE 351 HG23 0.25 -0.02 -0.09 -0.04 0.93 1.03 3h1jP1 ILE 351 HD13 0.29 -0.02 -0.11 -0.04 0.88 1.00 3h1jP1 GLY 352 H -0.01 0.78 -0.09 -0.55 8.43 8.57 3h1jP1 GLY 352 HA2 -0.02 -0.04 0.37 -0.51 4.01 3.81 3h1jP1 GLY 352 HA3 -0.05 0.14 0.29 -0.51 4.01 3.88 3h1jP1 GLN 353 H 0.01 0.64 -0.02 -0.55 8.47 8.55 3h1jP1 GLN 353 HA 0.02 -0.02 0.34 -0.75 4.36 3.95 3h1jP1 GLN 353 HB2 0.03 0.08 0.12 -0.04 2.15 2.34 3h1jP1 GLN 353 HB3 0.02 -0.07 0.03 -0.04 2.02 1.96 3h1jP1 GLN 353 HG2 -0.00 0.00 0.05 -0.04 2.40 2.41 3h1jP1 GLN 353 HG3 -0.00 0.31 0.12 -0.04 2.39 2.78 3h1jP1 GLN 353 HE21 -0.00 -0.08 -0.00 -0.04 6.97 6.84 3h1jP1 GLN 353 HE22 -0.01 0.12 0.02 -0.04 7.69 7.79 3h1jP1 MET 354 H 0.04 0.52 -0.38 -0.55 8.47 8.11 3h1jP1 MET 354 HA 0.05 -0.00 0.50 -0.75 4.52 4.32 3h1jP1 MET 354 HB2 0.06 0.17 0.26 -0.04 2.15 2.60 3h1jP1 MET 354 HB3 0.06 -0.08 0.03 -0.04 2.03 1.99 3h1jP1 MET 354 HG2 0.05 0.24 0.02 -0.04 2.63 2.90 3h1jP1 MET 354 HG3 0.05 -0.07 -0.03 -0.04 2.56 2.47 3h1jP1 MET 354 HE3 0.03 -0.01 -0.11 -0.04 2.10 1.98 3h1jP1 ALA 355 H 0.07 0.73 0.14 -0.55 8.40 8.78 3h1jP1 ALA 355 HA 0.07 -0.07 0.37 -0.75 4.34 3.96 3h1jP1 ALA 355 HB3 0.07 0.04 0.13 -0.04 1.41 1.61 3h1jP1 SER 356 H 0.06 0.77 -0.24 -0.55 8.46 8.51 3h1jP1 SER 356 HA 0.12 -0.03 0.39 -0.75 4.49 4.21 3h1jP1 SER 356 HB2 0.09 0.08 0.13 -0.04 3.95 4.21 3h1jP1 SER 356 HB3 0.18 -0.04 0.00 -0.04 3.93 4.03 3h1jP1 LEU 357 H 0.11 0.66 0.01 -0.55 8.37 8.61 3h1jP1 LEU 357 HA 0.18 -0.06 0.38 -0.75 4.35 4.10 3h1jP1 LEU 357 HB2 0.07 0.09 0.22 -0.04 1.64 1.98 3h1jP1 LEU 357 HB3 0.07 0.07 0.22 -0.04 1.64 1.96 3h1jP1 LEU 357 HG 0.06 -0.04 -0.08 -0.04 1.64 1.54 3h1jP1 LEU 357 HD13 0.06 -0.02 0.05 -0.04 0.93 0.98 3h1jP1 LEU 357 HD23 0.03 -0.02 0.00 -0.04 0.89 0.87 3h1jP1 SER 358 H 0.10 1.02 -0.24 -0.55 8.46 8.79 3h1jP1 SER 358 HA 0.05 -0.08 0.36 -0.75 4.49 4.07 3h1jP1 SER 358 HB2 0.06 -0.06 -0.04 -0.04 3.95 3.86 3h1jP1 SER 358 HB3 0.08 0.29 0.28 -0.04 3.93 4.54 3h1jP1 TYR 359 H 0.17 0.99 0.14 -0.55 8.29 9.05 3h1jP1 TYR 359 HA -0.08 -0.08 0.42 -0.75 4.56 4.06 3h1jP1 TYR 359 HB2 -0.09 -0.00 0.13 -0.04 3.06 3.05 3h1jP1 TYR 359 HB3 -0.17 0.19 0.26 -0.04 2.98 3.23 3h1jP1 TYR 359 HD2 -0.90 -0.02 -0.02 -0.04 7.15 6.17 3h1jP1 TYR 359 HE2 -0.43 -0.01 -0.01 -0.04 6.85 6.35 3h1jP1 PHE 360 H 0.22 0.49 -0.04 -0.55 8.34 8.47 3h1jP1 PHE 360 HA -0.17 0.02 0.40 -0.75 4.62 4.12 3h1jP1 PHE 360 HB2 0.06 0.11 0.08 -0.04 3.15 3.35 3h1jP1 PHE 360 HB3 0.03 -0.05 0.04 -0.04 3.06 3.03 3h1jP1 PHE 360 HD2 0.11 0.07 -0.02 -0.04 7.28 7.40 3h1jP1 PHE 360 HE2 0.14 0.01 -0.21 -0.04 7.38 7.28 3h1jP1 PHE 360 HZ 0.14 0.10 -0.04 -0.04 7.32 7.48 3h1jP1 THR 361 H 0.09 0.52 -0.36 -0.55 8.28 7.97 3h1jP1 THR 361 HA 0.05 0.02 0.59 -0.75 4.39 4.29 3h1jP1 THR 361 HB 0.02 0.19 0.23 -0.04 4.32 4.71 3h1jP1 THR 361 HG23 0.00 -0.05 -0.05 -0.04 1.22 1.08 3h1jP1 ILE 362 H -0.06 0.67 0.14 -0.55 8.25 8.44 3h1jP1 ILE 362 HA -0.15 -0.10 0.47 -0.75 4.18 3.65 3h1jP1 ILE 362 HB -0.13 0.12 0.11 -0.04 1.89 1.96 3h1jP1 ILE 362 HG12 -0.11 -0.09 0.06 -0.04 1.49 1.31 3h1jP1 ILE 362 HG13 -0.06 0.34 0.10 -0.04 1.21 1.55 3h1jP1 ILE 362 HG23 -0.36 -0.01 0.03 -0.04 0.93 0.55 3h1jP1 ILE 362 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.70 3h1jP1 LEU 363 H -0.12 0.34 -0.39 -0.55 8.37 7.65 3h1jP1 LEU 363 HA 0.18 0.08 0.60 -0.75 4.35 4.46 3h1jP1 LEU 363 HB2 -0.23 0.06 0.08 -0.04 1.64 1.51 3h1jP1 LEU 363 HB3 -0.10 -0.01 -0.06 -0.04 1.64 1.43 3h1jP1 LEU 363 HG -0.35 0.02 -0.02 -0.04 1.64 1.25 3h1jP1 LEU 363 HD13 -0.63 -0.01 -0.08 -0.04 0.93 0.17 3h1jP1 LEU 363 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.74 3h1jP1 LEU 364 H 0.02 0.54 0.07 -0.55 8.37 8.45 3h1jP1 LEU 364 HA 0.04 0.15 0.69 -0.75 4.35 4.48 3h1jP1 LEU 364 HB2 0.06 0.04 0.16 -0.04 1.64 1.87 3h1jP1 LEU 364 HB3 0.05 -0.06 0.07 -0.04 1.64 1.66 3h1jP1 LEU 364 HG 0.12 0.07 0.11 -0.04 1.64 1.90 3h1jP1 LEU 364 HD13 0.11 -0.03 0.00 -0.04 0.93 0.98 3h1jP1 LEU 364 HD23 0.08 -0.00 -0.06 -0.04 0.89 0.87 3h1jP1 ILE 365 H 0.02 0.49 0.03 -0.55 8.25 8.23 3h1jP1 ILE 365 HA 0.02 0.27 1.15 -0.75 4.18 4.86 3h1jP1 ILE 365 HB 0.00 0.00 0.16 -0.04 1.89 2.01 3h1jP1 ILE 365 HG12 0.02 0.03 -0.09 -0.04 1.49 1.41 3h1jP1 ILE 365 HG13 0.03 -0.07 -0.29 -0.04 1.21 0.83 3h1jP1 ILE 365 HG23 0.00 -0.02 -0.14 -0.04 0.93 0.73 3h1jP1 ILE 365 HD13 0.02 -0.01 -0.01 -0.04 0.88 0.83 3h1jP1 LEU 366 H -0.04 0.42 0.15 -0.55 8.37 8.35 3h1jP1 LEU 366 HA -0.05 -0.01 0.41 -0.75 4.35 3.95 3h1jP1 LEU 366 HB2 -0.24 0.10 0.25 -0.04 1.64 1.71 3h1jP1 LEU 366 HB3 -0.19 -0.05 0.06 -0.04 1.64 1.42 3h1jP1 LEU 366 HG -0.08 0.05 -0.13 -0.04 1.64 1.45 3h1jP1 LEU 366 HD13 -0.10 -0.00 0.01 -0.04 0.93 0.79 3h1jP1 LEU 366 HD23 -0.04 -0.02 -0.04 -0.04 0.89 0.74 3h1jP1 PHE 367 H -0.04 0.55 0.01 -0.55 8.34 8.31 3h1jP1 PHE 367 HA -0.05 -0.10 0.36 -0.75 4.62 4.07 3h1jP1 PHE 367 HB2 -0.08 0.22 0.17 -0.04 3.15 3.41 3h1jP1 PHE 367 HB3 -0.09 0.05 -0.03 -0.04 3.06 2.95 3h1jP1 PHE 367 HD2 -0.09 0.03 0.01 -0.04 7.28 7.19 3h1jP1 PHE 367 HE2 -0.07 -0.02 -0.05 -0.04 7.38 7.20 3h1jP1 PHE 367 HZ 0.05 -0.08 -0.15 -0.04 7.32 7.09 3h1jP1 PRO 368 HA 0.01 0.02 0.50 -0.51 4.44 4.46 3h1jP1 PRO 368 HB2 0.02 -0.04 0.00 -0.04 2.28 2.22 3h1jP1 PRO 368 HB3 0.02 0.16 0.12 -0.04 2.02 2.28 3h1jP1 PRO 368 HG2 0.03 0.07 0.05 -0.04 2.03 2.14 3h1jP1 PRO 368 HG3 0.03 0.26 -0.01 -0.04 2.03 2.28 3h1jP1 PRO 368 HD2 0.07 -0.14 -0.77 -0.04 3.68 2.80 3h1jP1 PRO 368 HD3 0.09 0.27 -0.08 -0.04 3.65 3.89 3h1jP1 THR 369 H 0.02 0.55 -0.25 -0.55 8.28 8.05 3h1jP1 THR 369 HA 0.00 -0.01 0.43 -0.75 4.39 4.06 3h1jP1 THR 369 HB -0.02 0.11 0.26 -0.04 4.32 4.64 3h1jP1 THR 369 HG23 -0.01 -0.04 -0.08 -0.04 1.22 1.04 3h1jP1 ILE 370 H -0.01 0.90 0.15 -0.55 8.25 8.73 3h1jP1 ILE 370 HA -0.01 -0.04 0.39 -0.75 4.18 3.76 3h1jP1 ILE 370 HB -0.01 0.13 0.03 -0.04 1.89 2.00 3h1jP1 ILE 370 HG12 -0.07 0.25 0.06 -0.04 1.49 1.69 3h1jP1 ILE 370 HG13 -0.09 -0.05 -0.05 -0.04 1.21 0.98 3h1jP1 ILE 370 HG23 -0.01 -0.04 -0.14 -0.04 0.93 0.71 3h1jP1 ILE 370 HD13 -0.03 -0.03 -0.00 -0.04 0.88 0.78 3h1jP1 GLY 371 H 0.02 0.57 -0.46 -0.55 8.43 8.00 3h1jP1 GLY 371 HA2 -0.02 -0.06 0.45 -0.51 4.01 3.87 3h1jP1 GLY 371 HA3 -0.05 0.06 0.29 -0.51 4.01 3.80 3h1jP1 THR 372 H -0.01 0.59 -0.02 -0.55 8.28 8.29 3h1jP1 THR 372 HA 0.00 0.06 0.44 -0.75 4.39 4.14 3h1jP1 THR 372 HB 0.00 0.15 0.27 -0.04 4.32 4.70 3h1jP1 THR 372 HG23 0.01 -0.03 -0.12 -0.04 1.22 1.04 3h1jP1 LEU 373 H 0.00 0.68 0.00 -0.55 8.37 8.51 3h1jP1 LEU 373 HA 0.01 0.01 0.40 -0.75 4.35 4.02 3h1jP1 LEU 373 HB2 0.00 0.03 0.08 -0.04 1.64 1.70 3h1jP1 LEU 373 HB3 0.00 0.08 0.18 -0.04 1.64 1.86 3h1jP1 LEU 373 HG 0.00 -0.01 -0.18 -0.04 1.64 1.41 3h1jP1 LEU 373 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 3h1jP1 LEU 373 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.82 3h1jP1 GLU 374 H 0.01 0.72 -0.13 -0.55 8.60 8.65 3h1jP1 GLU 374 HA 0.02 -0.03 0.41 -0.75 4.29 3.93 3h1jP1 GLU 374 HB2 0.01 0.20 0.24 -0.04 2.09 2.51 3h1jP1 GLU 374 HB3 0.02 -0.02 0.01 -0.04 1.99 1.96 3h1jP1 GLU 374 HG2 0.02 -0.02 0.10 -0.04 2.34 2.39 3h1jP1 GLU 374 HG3 0.01 -0.01 0.09 -0.04 2.34 2.39 3h1jP1 ASN 375 H 0.02 0.47 -0.33 -0.55 8.53 8.15 3h1jP1 ASN 375 HA 0.11 -0.01 0.48 -0.75 4.76 4.58 3h1jP1 ASN 375 HB2 0.04 0.24 0.25 -0.04 2.88 3.37 3h1jP1 ASN 375 HB3 0.09 -0.12 0.06 -0.04 2.79 2.78 3h1jP1 ASN 375 HD21 -0.03 0.39 0.10 -0.04 7.03 7.45 3h1jP1 ASN 375 HD22 0.00 -0.05 0.05 -0.04 7.74 7.70 3h1jP1 LYS 376 H 0.03 0.52 -0.05 -0.55 8.42 8.36 3h1jP1 LYS 376 HA 0.03 0.14 0.46 -0.75 4.32 4.20 3h1jP1 LYS 376 HB2 0.01 0.15 0.19 -0.04 1.87 2.18 3h1jP1 LYS 376 HB3 0.01 -0.06 0.06 -0.04 1.79 1.76 3h1jP1 LYS 376 HG2 0.03 0.02 0.05 -0.04 1.46 1.51 3h1jP1 LYS 376 HG3 0.02 0.19 0.09 -0.04 1.46 1.73 3h1jP1 LYS 376 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 3h1jP1 LYS 376 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 3h1jP1 LYS 376 HE2 0.01 0.01 -0.06 -0.04 2.99 2.90 3h1jP1 LYS 376 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 3h1jP1 MET 377 H 0.01 0.44 -0.16 -0.55 8.47 8.21 3h1jP1 MET 377 HA -0.01 0.02 0.44 -0.75 4.52 4.22 3h1jP1 MET 377 HB2 0.01 0.10 0.15 -0.04 2.15 2.38 3h1jP1 MET 377 HB3 -0.00 -0.05 0.10 -0.04 2.03 2.03 3h1jP1 MET 377 HG2 -0.00 -0.04 0.04 -0.04 2.63 2.59 3h1jP1 MET 377 HG3 0.00 0.13 0.03 -0.04 2.56 2.69 3h1jP1 MET 377 HE3 0.00 -0.01 0.02 -0.04 2.10 2.07 3h1jP1 LEU 378 H 0.01 0.34 -0.57 -0.55 8.37 7.60 3h1jP1 LEU 378 HA -0.08 0.07 0.68 -0.75 4.35 4.27 3h1jP1 LEU 378 HB2 0.08 0.14 0.19 -0.04 1.64 2.01 3h1jP1 LEU 378 HB3 -0.20 -0.06 0.10 -0.04 1.64 1.44 3h1jP1 LEU 378 HG 0.04 0.10 0.02 -0.04 1.64 1.76 3h1jP1 LEU 378 HD13 0.18 -0.03 0.00 -0.04 0.93 1.04 3h1jP1 LEU 378 HD23 -0.01 -0.00 0.05 -0.04 0.89 0.88 3h1jP1 ASN 379 H -0.05 0.41 -0.44 -0.55 8.53 7.90 3h1jP1 ASN 379 HA -0.05 0.08 0.34 -0.75 4.76 4.38 3h1jP1 ASN 379 HB2 -0.10 -0.03 -0.28 -0.04 2.88 2.43 3h1jP1 ASN 379 HB3 -0.19 0.10 0.33 -0.04 2.79 3.00 3h1jP1 ASN 379 HD21 -0.04 -0.07 0.06 -0.04 7.03 6.94 3h1jP1 ASN 379 HD22 -0.09 0.01 0.10 -0.04 7.74 7.72 3h1jP1 TYR 380 H 0.04 0.37 -0.03 -0.55 8.29 8.12 3h1jP1 TYR 380 HA 0.00 0.19 0.60 -0.75 4.56 4.59 3h1jP1 TYR 380 HB2 0.00 0.15 0.06 -0.04 3.06 3.23 3h1jP1 TYR 380 HB3 0.00 -0.03 0.04 -0.04 2.98 2.95 3h1jP1 TYR 380 HD2 0.00 -0.02 0.02 -0.04 7.15 7.11 3h1jP1 TYR 380 HE2 0.00 -0.04 -0.01 -0.04 6.85 6.77