NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 N 4.5021 8.4201 118.1239 53.0321 39.4517 173.1694 *34 A 4.0758 8.3616 125.7234 52.9717 19.7695 175.3492 35 D 4.8249 8.4046 120.1666 52.2734 43.4290 176.4515 36 L 4.3239 8.2864 129.4991 54.2035 40.7913 175.7415 37 S 4.3508 8.2071 119.1363 60.6011 64.6082 174.0479 38 Y 5.1476 7.8040 115.4369 56.1919 42.1901 174.8989 39 V 4.2368 8.8342 123.3088 61.4175 33.7261 173.8715 40 N 5.2367 8.5660 125.5478 51.6715 41.1474 173.9230 41 I 4.5256 8.3576 123.9538 59.3767 40.0557 174.8537 42 F 4.6325 9.0455 126.3872 57.4608 39.3314 174.9662 43 T 5.0697 9.4579 113.6124 60.1646 72.0057 175.3739 44 R 3.8823 9.3863 122.0074 58.3019 29.6752 176.3621 45 D 4.7115 8.4718 117.8006 51.7473 41.8119 175.6264 46 I 3.8739 8.2374 120.1099 63.3468 38.4284 178.3657 47 V 3.6186 7.6083 118.0119 65.8833 31.6284 178.4500 48 A 4.1548 8.3070 120.4944 52.7737 17.8418 179.0515 *50 S 3.8173 8.2727 115.2370 59.6148 64.1639 175.7996 51 A 4.0197 7.9366 121.8473 54.9355 17.9600 179.4123 52 F 3.9060 8.1964 119.1333 61.8428 39.5041 177.1591 53 Y 3.7341 8.0618 115.6954 60.7366 37.7311 178.4561 54 Q 3.9679 8.2406 119.2851 58.9465 28.6570 178.2532 55 Q 3.7688 7.8179 119.4837 59.1537 29.0895 178.3722 56 V 3.1384 6.8751 117.7511 64.9730 31.5776 177.1463 57 F 4.4119 7.3511 114.1092 56.0052 39.8542 176.7514 58 G 3.8060 7.9900 106.5148 45.5104 0.0000 173.9361 59 F 4.5909 7.4683 117.5765 57.7086 39.6418 174.7238 60 Q 4.5394 8.5977 123.0247 55.0481 30.2728 175.0777 61 E 4.5503 8.8367 123.7157 56.5658 31.2098 176.7585 62 I 4.3157 8.7272 126.8685 59.4300 36.8637 176.0320 63 E 4.0525 8.8126 127.6063 59.2052 29.7473 179.9923 64 S 4.1929 8.1478 112.0722 60.4327 63.2064 174.5169 65 I 4.2517 7.4663 118.8026 60.3244 38.0616 175.3575 66 R 4.3817 7.6634 119.7408 57.1906 30.6751 175.3893 67 S 4.7265 8.6662 117.2769 56.2645 66.3343 173.1017 68 P 4.3053 0.0000 0.0000 64.9900 31.1297 177.6013 69 I 4.5565 7.7773 109.9020 60.0634 38.1352 174.1983 70 F 5.3818 8.1641 122.2140 57.3998 43.2583 173.3827 71 R 4.8192 7.7508 122.9193 54.3849 34.4645 174.3058 72 G 4.5752 8.7285 109.6202 44.3528 0.0000 171.3106 73 L 5.3767 8.9052 123.3180 52.6606 45.2291 175.0238 74 D 4.8026 9.0038 123.8178 53.6176 41.3612 176.1932 75 T 3.6866 8.4572 115.4329 61.1127 69.8983 175.3866 76 G 4.1545 8.7322 110.8389 45.2166 0.0000 173.4849 77 K 4.5786 6.9320 117.6660 56.0672 32.1616 179.4254 78 S 4.1825 8.6400 124.5447 59.4383 62.9847 172.6776 79 C 4.1064 8.2608 122.1089 59.5811 29.5398 172.4140 80 I 4.4986 7.9049 122.0847 59.6265 38.8934 175.1684 81 G 4.4182 8.6350 113.8612 43.3477 0.0000 171.9777 82 F 5.2856 8.0377 120.4698 55.5007 42.3553 173.7510 83 N 5.5580 8.9437 121.9158 51.1210 40.9863 174.9395 84 A 4.8991 8.8836 125.4994 51.3892 19.7720 178.2045 85 H 4.4789 9.2361 115.7854 58.8217 28.7149 177.9365 86 E 4.1369 8.4810 120.0324 59.2005 29.0226 178.7625 87 A 4.1249 8.1576 120.2905 55.0881 18.5983 179.0437 88 Y 4.2255 8.1116 115.6173 61.4637 37.8092 178.3298 89 E 4.1492 8.3029 118.5027 59.0840 29.8510 178.4928 90 L 4.0332 7.5386 115.0951 55.8295 41.2862 177.4276 *92 Q 4.2152 7.8423 115.6651 56.5079 30.0406 175.7368 93 L 4.7335 8.6092 114.7980 54.4065 42.9581 178.6062 94 A 3.9958 8.2114 125.0468 55.2737 18.2567 180.4081 95 Q 3.8700 7.7484 112.2757 58.3109 28.5906 177.0826 96 F 4.9917 7.7221 117.0101 57.2626 39.1801 176.7093 97 S 2.8415 7.6715 116.7266 59.4994 62.9413 174.1037 98 E 4.2751 7.8235 121.1139 55.3612 28.6946 175.2187 99 T 4.7269 7.9284 113.9639 60.0113 71.2951 173.9939 100 S 4.4507 8.5587 115.2023 58.5090 65.3302 176.0864 101 G 3.9808 8.7248 111.9713 44.6811 0.0000 172.5379 102 I 4.7152 8.0258 110.4117 59.0698 40.1536 174.9176 103 K 4.6257 8.7638 121.0376 55.7763 33.4555 174.8661 104 F 5.0053 7.7850 110.9556 56.6848 40.5365 172.6884 105 L 4.5928 8.1978 119.5779 54.6216 43.2931 174.4964 106 L 4.6458 8.7406 120.7653 53.1553 44.0261 174.8371 107 N 5.1976 8.5275 122.4805 51.9904 40.6654 173.4600 108 F 4.8521 9.2237 125.8974 55.9736 41.2108 174.5888 109 D 5.3458 8.8092 123.7787 53.2513 42.1195 176.2872 110 V 4.7046 8.9264 115.9938 59.1987 34.6995 175.9052 111 D 4.4497 8.9437 122.2451 55.9981 39.2295 176.7480 112 T 4.7366 7.4573 108.6148 58.8389 73.4205 174.7549 113 K 4.1083 8.3826 120.3819 59.6268 32.0348 179.5177 114 E 4.0178 8.1493 118.2603 59.3011 29.3873 179.0759 115 A 4.0585 8.0778 120.9708 54.8878 18.2449 179.9577 116 V 3.5979 7.5728 116.3580 66.3881 31.4780 177.9720 117 D 4.4543 8.0014 117.3065 57.4957 39.4396 178.7547 118 K 4.1452 8.2461 118.9642 59.1396 32.0711 179.0518 119 L 4.0975 8.0670 120.3324 57.1618 41.9707 178.9098 120 V 3.6020 7.5121 119.1295 65.6546 31.4209 176.1349 121 P 4.2521 0.0000 0.0000 65.7626 31.0740 178.2566 122 V 3.4625 7.2519 117.3649 65.7301 31.3767 177.8898 123 A 3.8215 8.0281 120.3183 55.2548 18.2625 179.6326 124 I 4.0404 8.1763 119.4331 64.0796 36.9720 178.5818 125 A 4.0044 8.2100 120.5351 54.8375 18.2739 178.7789 126 A 4.2710 7.5328 116.6489 52.2980 18.7922 177.5748 127 G 3.7943 7.8174 104.3094 44.8702 0.0000 174.3787 128 A 4.5119 8.5751 122.7312 51.9697 20.3387 176.6025 129 T 4.5782 8.7009 115.8847 61.5139 71.6009 173.4974 130 L 4.3293 8.6144 128.9026 55.2434 42.3092 175.8464 131 I 4.2577 8.7618 127.3859 62.4708 39.0500 176.3798 132 K 4.4873 7.6715 122.9173 54.3738 35.0821 175.6198 133 A 4.4534 8.7638 129.2059 51.1455 19.3924 174.9425 134 P 4.2059 0.0000 0.0000 63.6773 31.8485 175.2891 135 Y 4.8749 8.3131 120.7028 55.9915 42.0158 172.8347 136 E 4.8970 8.7949 121.4924 55.1202 31.0683 176.0403 137 T 4.2144 8.3998 118.0688 60.2804 70.1051 175.2310 138 Y 4.1281 8.0148 119.4377 59.5147 38.0267 176.1932 139 Y 4.3658 6.1340 117.0581 56.3552 38.8363 175.0372 140 H 4.1195 7.4650 115.0597 57.9417 26.9432 174.2161 141 W 5.1783 7.7012 117.9375 55.0797 33.1057 175.6897 142 Y 5.1636 9.1205 125.8212 56.2439 39.7941 174.3783 143 Q 5.0611 8.3974 123.9441 54.7327 33.1755 173.3269 144 A 5.1881 8.8504 120.7914 50.0935 22.7103 175.1743 145 V 4.6035 8.6109 120.3734 61.1704 34.1877 174.7554 146 L 5.1503 8.3571 126.2479 53.1270 46.8351 174.8551 147 L 5.3809 8.7041 119.8401 53.0844 44.9315 177.2493 148 D 4.7708 9.3562 123.2922 51.5454 40.8413 175.2502 149 P 4.0817 0.0000 0.0000 65.0753 31.1242 177.1728 150 E 4.6235 8.1197 116.1512 55.9651 29.8726 175.6852 151 R 3.9081 7.9011 114.9800 57.3731 28.4792 176.0156 152 N 4.8616 8.5588 114.5592 51.8440 40.4411 174.7377 153 V 4.6238 7.7952 121.9845 62.6785 33.2330 174.6422 154 F 5.7232 8.9792 120.9921 55.7535 41.8139 173.2815 155 R 5.2407 9.7723 119.1237 54.6302 34.1258 174.6364 156 I 5.1282 8.4638 122.7628 59.9633 39.2799 174.3546 157 N 5.6272 9.9325 125.6755 51.9048 43.3201 172.4652 158 N 5.1602 8.9542 120.7298 52.0061 42.6969 173.5394 159 V 3.8037 8.1182 119.8928 60.1607 32.3257 176.1628 160 L 4.2179 8.0104 123.9344 55.0191 41.0630 177.3532 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 32 N 8.42 4.50 0.00 2.72 2.85 0.00 0.00 6.86 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 A 8.36 4.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.40 4.82 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.29 4.32 0.00 1.60 1.54 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.21 4.35 0.00 4.06 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.80 5.15 0.00 2.70 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.83 4.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.84 0.00 0.00 40 N 8.57 5.24 0.00 2.49 2.44 0.00 0.00 6.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.36 4.53 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 1.26 0.00 0.00 42 F 9.05 4.63 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.46 5.07 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 44 R 9.39 3.88 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 45 D 8.47 4.71 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.24 3.87 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 1.00 0.00 0.00 47 V 7.61 3.62 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 48 A 8.31 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 S 8.27 3.82 0.00 3.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.20 3.91 0.00 3.04 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.06 3.73 0.00 3.34 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.24 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.71 2.70 0.00 55 Q 7.82 3.77 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 56 V 6.88 3.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 -0.18 0.00 0.00 57 F 7.35 4.41 0.00 1.63 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.47 4.59 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.60 4.54 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.06 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 61 E 8.84 4.55 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 62 I 8.73 4.32 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 1.01 0.00 0.00 63 E 8.81 4.05 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 64 S 8.15 4.19 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.47 4.25 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 1.27 0.00 0.00 66 R 7.66 4.38 0.00 1.88 2.00 0.00 3.57 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 67 S 8.67 4.73 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.31 0.00 2.09 2.20 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 69 I 7.78 4.56 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.22 0.96 0.00 0.00 70 F 8.16 5.38 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.75 4.82 0.00 1.78 1.78 0.00 3.30 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 72 G 8.73 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.91 5.38 0.00 1.55 1.67 1.44 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.00 4.80 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.46 3.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 76 G 8.73 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 6.93 4.58 0.00 1.60 0.79 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.32 7.81 78 S 8.64 4.18 0.00 3.60 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.26 4.11 0.00 1.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.90 4.50 1.54 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.43 0.16 0.00 0.00 81 G 8.63 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.04 5.29 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.94 5.56 0.00 2.17 2.38 0.00 0.00 6.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.88 4.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 9.24 4.48 0.00 3.38 3.61 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.48 4.14 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 87 A 8.16 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.11 4.23 0.00 3.24 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.30 4.15 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 90 L 7.54 4.03 0.00 1.91 1.70 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *92 Q 7.84 4.22 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 93 L 8.61 4.73 0.00 1.92 1.90 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.21 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.75 3.87 0.00 1.76 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.31 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 96 F 7.72 4.99 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.67 2.84 0.00 3.26 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.82 4.28 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 99 T 7.93 4.73 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 100 S 8.56 4.45 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.72 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.03 4.72 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.91 0.00 0.00 103 K 8.76 4.63 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.44 7.81 104 F 7.79 5.01 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.20 4.59 0.00 1.74 1.55 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.74 4.65 0.00 1.84 1.14 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.53 5.20 0.00 2.79 2.73 0.00 0.00 7.04 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.22 4.85 0.00 3.25 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.81 5.35 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.93 4.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.12 0.00 0.00 111 D 8.94 4.45 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.46 4.74 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 113 K 8.38 4.11 0.00 1.57 1.18 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.34 7.81 114 E 8.15 4.02 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 115 A 8.08 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.57 3.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.19 0.00 0.00 117 D 8.00 4.45 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.25 4.15 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 119 L 8.07 4.10 0.00 1.93 1.66 0.76 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.51 3.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 121 P 0.00 4.25 0.00 2.28 2.29 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 122 V 7.25 3.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 123 A 8.03 3.82 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.18 4.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.92 0.00 0.00 125 A 8.21 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.53 4.27 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.58 4.51 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.70 4.58 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 130 L 8.61 4.33 0.00 1.63 1.56 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.76 4.26 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.96 0.88 0.00 0.00 132 K 7.67 4.49 0.00 1.70 1.61 0.00 1.43 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.17 7.81 133 A 8.76 4.45 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.21 0.00 1.87 1.45 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 135 Y 8.31 4.87 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.79 4.90 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 137 T 8.40 4.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 138 Y 8.01 4.13 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 6.13 4.37 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.47 4.12 0.00 3.51 3.45 0.00 5.55 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 7.70 5.18 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 9.12 5.16 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.40 5.06 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 144 A 8.85 5.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.61 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.07 0.00 0.00 146 L 8.36 5.15 0.00 0.52 1.35 0.70 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.70 5.38 0.00 1.53 1.54 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 148 D 9.36 4.77 0.00 2.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.08 0.00 1.83 2.00 0.00 2.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 150 E 8.12 4.62 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 151 R 7.90 3.91 0.00 2.01 2.04 0.00 3.16 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 152 N 8.56 4.86 0.00 3.32 2.78 0.00 0.00 6.70 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.80 4.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.88 0.00 0.00 154 F 8.98 5.72 0.00 3.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 9.77 5.24 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 156 I 8.46 5.13 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.10 1.09 0.00 0.00 157 N 9.93 5.63 0.00 2.81 2.87 0.00 0.00 6.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.95 5.16 0.00 2.90 2.70 0.00 0.00 7.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.12 3.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.74 0.00 0.00 160 L 8.01 4.22 0.00 1.76 1.60 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.