NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.1148 7.8827 121.4050 61.1805 39.4714 174.4017 32 V 3.9298 8.2821 125.3224 61.5525 31.2724 174.1261 33 L 4.3387 8.4717 128.6967 53.7134 43.4849 176.1208 34 E 4.0514 8.7137 121.0007 56.0091 29.7715 174.4447 35 P 4.1420 0.0000 0.0000 62.3925 32.1149 175.5321 36 I 4.5322 9.1055 124.4711 59.8318 39.3303 174.3940 37 Y 4.7657 8.9815 125.9685 56.8709 38.6690 175.5041 38 W 4.3548 9.0509 135.0000 57.1395 30.7197 174.8749 39 N 4.8914 7.7551 124.0758 52.4370 41.1616 175.4333 40 S 4.1033 9.0854 118.6264 60.6210 63.4011 175.7685 41 S 4.1976 7.8932 114.9001 60.3586 63.3727 174.1171 42 N 4.5230 7.8636 120.2664 53.4243 36.5266 175.7217 43 S 4.0538 8.1335 119.6624 60.0011 63.4105 175.6904 44 K 4.0977 7.9970 120.5114 57.7245 32.5040 176.3145 45 F 4.3449 8.0640 117.6220 56.8941 37.3244 174.8669 46 L 4.4169 8.2546 126.0300 53.1382 42.5860 176.9357 47 P 4.3763 0.0000 0.0000 65.4674 31.8874 178.0273 48 G 3.7954 8.1832 107.1139 47.3065 0.0000 174.3368 49 Q 4.5427 7.8149 114.8188 54.5486 29.8539 177.2598 50 G 3.7877 8.3638 108.6770 46.0028 0.0000 172.3693 51 L 4.4009 7.7485 123.2447 53.1539 42.9868 177.0114 52 V 4.7457 8.1294 126.6699 61.4734 33.0593 174.6511 53 L 4.4483 9.1631 128.3152 53.1537 45.8341 175.3158 54 Y 5.8948 8.0048 122.3025 55.6413 36.0349 173.4681 55 P 4.3668 0.0000 0.0000 62.9694 33.4830 176.9646 56 Q 4.8945 9.9248 119.8977 53.6061 32.1551 175.5969 57 I 3.8945 8.2200 122.4103 63.2948 37.4551 176.7178 58 G 4.0215 8.9908 113.7437 45.0885 0.0000 173.1830 59 D 5.2258 8.1454 120.3516 53.8546 42.9834 175.2147 60 K 5.1071 8.8499 117.7850 55.4948 36.4423 175.1355 61 L 4.9801 8.8376 124.1725 53.5847 45.6640 174.4937 62 D 5.0322 8.6526 125.6961 53.1202 43.0114 175.1183 63 I 4.9751 8.4233 124.2974 59.6820 39.9024 174.8120 64 I 4.8946 8.6683 127.0337 59.8342 41.1410 173.6174 65 C 5.3000 9.0993 126.0204 55.0840 41.4559 172.1974 66 P 5.1246 0.0000 0.0000 62.3428 32.2067 175.9211 67 K 4.8456 8.2672 119.5655 56.1270 34.0027 178.5784 68 V 3.8319 8.4298 121.8521 61.5169 32.2835 174.0804 *76 Y 4.1806 8.1485 119.4749 57.8477 39.2828 174.7220 77 E 4.0034 7.8477 126.5250 55.3997 31.0557 174.9007 78 Y 4.8551 8.9711 122.3758 56.6903 40.0606 174.4782 79 Y 5.2227 8.8014 120.9727 56.3919 42.9807 174.0609 80 K 4.9217 8.7888 122.7771 54.6936 34.4011 175.7114 81 V 4.4139 8.6281 125.5939 61.1857 33.9464 173.8964 82 Y 4.9580 9.0955 125.0463 55.9814 41.5998 174.5956 83 M 4.6547 8.8566 123.7624 56.2098 32.9850 175.5239 84 V 4.8464 9.5275 121.9586 59.8906 35.4024 174.5269 85 D 4.9435 8.1067 121.5263 52.2600 42.6842 176.7263 86 K 2.4800 7.9578 118.7204 59.3119 32.0039 177.9806 87 D 4.2608 8.0785 118.9362 57.7509 40.9424 179.1949 88 Q 3.9087 8.2022 117.4157 58.7231 28.8423 178.4611 89 A 4.0119 7.8129 121.7358 55.4912 18.3364 179.1846 90 D 4.5551 8.5447 114.7371 55.7974 41.1646 177.9093 91 R 4.3938 8.0253 117.1178 54.6334 32.7971 174.9048 92 C 4.3919 7.9356 116.2347 58.0580 38.0977 172.3478 93 T 5.2082 8.0356 107.4508 59.7239 71.8944 175.2567 94 I 4.3942 8.1604 117.8019 59.0380 39.4473 175.0530 95 K 4.5407 8.5448 126.0889 54.4422 34.1038 177.7438 96 K 3.9541 8.8650 122.5646 60.3180 32.3868 177.3329 97 E 3.9098 8.3592 119.1288 58.5844 29.5415 177.3996 98 N 4.3491 9.0606 116.9023 53.5987 38.9623 174.2630 99 T 4.4091 7.8994 119.4993 60.9238 70.6665 172.8193 100 P 3.6086 0.0000 0.0000 62.0585 31.9981 175.8672 101 L 4.1286 8.1514 120.0247 56.0553 42.4192 176.7647 102 L 4.4412 7.2745 119.2090 53.0442 45.6373 175.1346 103 N 4.8897 8.8269 123.6861 52.3625 38.8529 173.6520 104 C 4.8738 9.8215 122.0521 54.5770 40.4487 174.1147 105 A 5.2483 8.1727 132.2056 51.3577 19.2848 177.5895 106 K 4.4184 8.0545 120.2434 54.2417 33.4579 175.3679 107 P 2.9700 0.0000 0.0000 64.5481 31.4663 178.0742 108 D 4.9435 7.6672 114.0059 52.6724 39.6742 175.2991 109 Q 4.4487 7.9585 120.4432 54.8342 31.9764 173.6804 110 D 4.6073 9.1108 126.2566 55.4262 41.7626 175.9817 111 I 4.5628 8.5221 125.5978 59.4474 38.9463 175.2276 112 K 5.1144 8.6745 125.9713 54.9401 35.5971 175.3426 113 F 5.1081 9.3430 125.2423 56.7558 42.6742 173.3648 114 T 4.5066 8.4603 122.1233 61.7610 70.4457 173.5091 115 I 3.9947 7.8062 128.0234 59.3495 39.0810 174.5236 116 K 4.5250 8.2476 128.3424 54.6425 34.1299 175.9938 117 F 4.7660 8.7468 126.9947 57.4117 39.1928 174.4229 118 Q 4.7822 8.0777 121.3506 55.9564 31.0246 174.4612 119 E 3.9027 8.7225 117.6360 58.2989 29.8329 177.0509 120 F 5.0874 8.0320 118.3691 56.0636 39.5005 175.3877 121 S 4.7943 8.3885 119.3467 55.7062 65.8645 173.3366 122 P 4.0121 0.0000 0.0000 64.7800 31.3404 176.4339 123 N 4.3292 7.5175 117.2679 54.2610 38.9228 174.1744 124 L 4.6820 8.6558 124.9768 54.7080 42.0416 176.7448 125 W 4.3547 8.2891 115.8566 55.9626 29.7824 175.7638 126 G 3.8871 8.1877 105.0250 46.5025 0.0000 173.7486 127 L 4.4471 8.4666 120.8028 53.0265 42.2010 175.6853 128 E 4.4631 8.1598 121.7606 54.6215 32.9228 174.4236 129 F 4.9149 8.1528 116.6251 56.2928 42.6680 174.9137 130 Q 4.7563 9.4487 120.2589 53.9300 32.7973 175.2117 131 K 3.9029 9.0873 121.8109 57.7573 32.9064 175.8115 132 N 4.2076 8.1405 115.2081 54.3072 36.8724 174.4246 133 K 4.7031 7.6566 113.9827 54.8610 37.3224 175.9142 134 D 5.2385 8.2622 121.4368 52.8259 43.5508 175.4141 135 Y 4.8924 8.2178 117.8537 56.5092 42.3934 173.7154 136 Y 5.1765 9.1162 120.8009 56.3710 41.2282 174.4040 137 I 5.4819 9.0400 125.8183 59.6412 40.2812 175.0584 138 I 5.4249 8.9552 119.5817 59.8917 42.0588 173.4721 139 S 5.0968 8.9257 114.8058 57.0826 65.7192 173.9687 140 T 4.6728 8.5193 113.2185 61.6669 70.1147 174.4901 141 S 4.4829 8.2885 119.9165 59.7182 63.7461 174.7400 142 N 4.5493 8.9455 119.4368 53.2903 37.4860 174.4957 143 G 4.1357 8.4430 108.1287 46.2753 0.0000 174.2212 144 S 4.7387 8.3631 113.9168 57.5605 63.6627 174.8594 145 L 3.7152 8.2836 121.9197 57.1666 42.0348 177.7736 146 E 4.0766 8.2281 117.5282 58.6087 29.8190 177.5553 147 G 4.5129 8.1120 105.6687 44.8213 0.0000 174.5894 148 L 3.8991 7.2162 120.4426 58.1802 41.8491 178.1232 149 D 4.8341 7.8582 114.3698 53.9754 41.1341 175.9897 150 N 4.3340 8.3718 119.1765 54.1327 38.7824 175.3866 151 Q 4.1811 8.5931 121.0538 54.8081 29.1677 174.8060 152 E 5.0086 7.8897 117.8591 56.3465 33.7832 173.1998 153 G 4.4248 8.1183 115.4082 44.0295 0.0000 178.5127 154 G 4.3979 8.6995 115.8344 45.7619 0.0000 173.9896 155 V 4.1373 8.2429 112.9347 61.9427 31.9991 177.3898 156 C 4.4919 8.0604 120.1851 58.4403 42.0145 174.3962 157 Q 4.6473 7.8453 117.4030 55.7982 28.9125 175.7034 158 T 4.5356 8.2281 104.9850 62.6995 74.9251 174.1572 159 R 4.3704 7.8145 120.9834 54.6935 31.8606 175.1348 160 A 5.0249 7.8689 122.1040 51.5098 18.8586 178.5803 161 M 3.6545 7.9805 123.1639 55.5284 31.7128 176.0092 162 K 4.8924 8.4118 118.3945 56.1772 36.0410 174.3315 163 I 4.6879 9.4589 127.5872 60.2227 39.1068 174.5262 164 L 4.6392 9.2737 129.8130 53.9254 43.4903 175.1750 165 M 4.7266 8.5584 127.7019 54.0229 33.2179 175.8313 166 K 4.2231 9.7429 126.6812 55.3893 31.8722 176.6064 167 V 3.9322 8.5090 125.3270 63.0514 33.1944 176.2485 168 G 4.1729 8.3230 114.5113 46.1377 0.0000 173.4567 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 31 I 7.88 4.11 1.87 0.00 0.00 0.86 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 0.53 0.91 0.00 0.00 32 V 8.28 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 33 L 8.47 4.34 0.00 1.61 1.58 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.71 4.05 0.00 1.97 1.88 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 2.34 2.39 0.00 35 P 0.00 4.14 0.00 2.15 1.88 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 36 I 9.11 4.53 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.95 0.00 0.00 37 Y 8.98 4.77 0.00 2.89 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 38 W 9.05 4.35 0.00 3.52 2.97 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 0.00 0.00 0.00 39 N 7.76 4.89 0.00 2.91 2.61 0.00 0.00 6.88 8.14 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 40 S 9.09 4.10 0.00 4.00 4.25 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 41 S 7.89 4.20 0.00 3.99 4.02 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 0.00 42 N 7.86 4.52 0.00 2.83 3.06 0.00 0.00 7.00 7.51 0.00 0.00 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 S 8.13 4.05 0.00 3.87 3.90 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 0.00 0.00 0.00 44 K 8.00 4.10 0.00 1.70 1.55 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.32 7.81 45 F 8.06 4.34 0.00 2.98 3.03 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 46 L 8.25 4.42 0.00 1.82 1.56 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.38 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 G 8.18 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.81 4.54 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 50 G 8.36 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 51 L 7.75 4.40 0.00 0.67 0.99 0.22 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.13 4.75 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 0.96 0.00 0.00 0.99 0.00 0.00 53 L 9.16 4.45 0.00 1.55 1.32 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.00 5.89 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.37 0.00 0.81 1.34 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 0.00 56 Q 9.92 4.89 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 57 I 8.22 3.89 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.99 0.00 0.00 58 G 8.99 4.02 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 0.00 0.00 0.00 0.00 59 D 8.15 5.23 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 5.11 0.00 1.74 1.77 0.00 1.24 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 61 L 8.84 4.98 0.00 1.94 1.46 0.94 1.15 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 62 D 8.65 5.03 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.42 4.98 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 1.07 0.00 0.00 64 I 8.67 4.89 1.22 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.66 0.00 0.00 65 C 9.10 5.30 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 5.12 0.00 2.22 2.32 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 67 K 8.27 4.85 0.00 2.14 2.05 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.43 7.81 68 V 8.43 3.83 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 *76 Y 8.15 4.18 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.00 0.00 1.77 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 2.15 2.19 0.00 78 Y 8.97 4.86 0.00 2.95 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 79 Y 8.80 5.22 0.00 2.82 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 80 K 8.79 4.92 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 81 V 8.63 4.41 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.92 0.00 0.00 82 Y 9.10 4.96 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.86 4.65 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.75 0.00 84 V 9.53 4.85 2.24 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 0.89 0.00 0.00 1.10 0.00 0.00 85 D 8.11 4.94 0.00 2.93 2.85 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 86 K 7.96 2.48 0.00 1.42 1.58 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.20 7.81 87 D 8.08 4.26 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 88 Q 8.20 3.91 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 89 A 7.81 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.54 4.56 0.00 2.57 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.03 4.39 0.00 1.82 1.92 0.00 3.42 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 92 C 7.94 4.39 0.00 3.15 3.23 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 0.00 93 T 8.04 5.21 4.20 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 1.27 0.00 0.00 94 I 8.16 4.39 1.15 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.60 0.39 0.00 0.00 95 K 8.54 4.54 0.00 1.62 1.72 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.48 7.81 96 K 8.86 3.95 0.00 1.83 1.97 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 97 E 8.36 3.91 0.00 1.95 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 2.15 2.47 0.00 98 N 9.06 4.35 0.00 2.77 3.00 0.00 0.00 6.92 7.42 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 99 T 7.90 4.41 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 100 P 0.00 3.61 0.00 1.60 1.14 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.38 0.00 101 L 8.15 4.13 0.00 0.62 1.38 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.27 4.44 0.00 1.34 1.41 1.03 0.58 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 0.00 103 N 8.83 4.89 0.00 2.62 2.69 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 9.82 4.87 0.00 3.14 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 0.00 105 A 8.17 5.25 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 0.00 106 K 8.05 4.42 0.00 1.80 1.66 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 107 P 0.00 2.97 0.00 1.93 1.82 0.00 3.39 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 108 D 7.67 4.94 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 109 Q 7.96 4.45 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 110 D 9.11 4.61 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.52 4.56 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.95 0.00 0.00 112 K 8.67 5.11 0.00 1.68 1.71 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.42 7.81 113 F 9.34 5.11 0.00 3.01 2.90 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 0.00 0.00 0.00 114 T 8.46 4.51 4.12 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 115 I 7.81 3.99 1.21 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.07 -0.13 0.00 0.00 116 K 8.25 4.52 0.00 1.66 1.62 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.67 7.81 117 F 8.75 4.77 0.00 3.03 2.97 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 0.00 0.00 0.00 118 Q 8.08 4.78 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 119 E 8.72 3.90 0.00 1.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 120 F 8.03 5.09 0.00 3.21 2.85 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 0.00 121 S 8.39 4.79 0.00 4.03 3.92 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 0.00 122 P 0.00 4.01 0.00 2.09 2.18 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 123 N 7.52 4.33 0.00 2.71 2.78 0.00 0.00 7.10 7.66 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 0.00 124 L 8.66 4.68 0.00 1.74 1.66 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.29 4.35 0.00 3.23 3.27 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 0.00 126 G 8.19 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.45 0.00 1.75 1.51 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.16 4.46 0.00 2.05 1.84 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 2.11 2.22 0.00 129 F 8.15 4.91 0.00 2.92 2.75 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 0.00 130 Q 9.45 4.76 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 131 K 9.09 3.90 0.00 1.77 1.79 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.52 7.81 132 N 8.14 4.21 0.00 2.81 2.83 0.00 0.00 6.71 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.66 4.70 0.00 2.06 1.15 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.63 7.81 134 D 8.26 5.24 0.00 2.34 2.15 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 0.00 135 Y 8.22 4.89 0.00 2.93 3.07 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 0.00 0.00 0.00 136 Y 9.12 5.18 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 9.04 5.48 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 1.07 0.00 0.00 138 I 8.96 5.42 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.29 1.10 0.00 0.00 139 S 8.93 5.10 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 141 S 8.29 4.48 0.00 4.20 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 0.00 142 N 8.95 4.55 0.00 2.75 2.95 0.00 0.00 6.39 7.00 0.00 0.00 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 G 8.44 4.14 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 0.00 0.00 0.00 144 S 8.36 4.74 0.00 4.19 4.05 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 0.00 0.00 0.00 145 L 8.28 3.72 0.00 0.97 1.47 -0.42 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.23 4.08 0.00 1.97 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 2.30 2.33 0.00 147 G 8.11 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.22 3.90 0.00 1.55 1.73 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.86 4.83 0.00 2.71 2.66 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 0.00 150 N 8.37 4.33 0.00 2.92 2.78 0.00 0.00 7.00 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 0.00 151 Q 8.59 4.18 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.20 0.00 152 E 7.89 5.01 0.00 1.86 1.75 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 2.17 2.23 0.00 153 G 8.12 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 0.00 154 G 8.70 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 0.00 0.00 0.00 0.00 155 V 8.24 4.14 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 0.94 0.00 0.00 1.12 0.00 0.00 156 C 8.06 4.49 0.00 3.42 3.15 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 0.00 157 Q 7.85 4.65 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.31 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 158 T 8.23 4.54 4.25 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 1.22 0.00 0.00 159 R 7.81 4.37 0.00 1.82 1.81 0.00 3.02 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 160 A 7.87 5.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.98 3.65 0.00 1.29 1.90 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.41 0.00 162 K 8.41 4.89 0.00 1.98 2.04 0.00 1.58 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.56 7.81 163 I 9.46 4.69 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 0.97 0.00 0.00 164 L 9.27 4.64 0.00 1.76 1.55 0.60 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 165 M 8.56 4.73 0.00 1.89 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 166 K 9.74 4.22 0.00 1.61 1.62 0.00 1.69 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.82 7.81 167 V 8.51 3.93 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 0.96 0.00 0.00 0.66 0.00 0.00 168 G 8.32 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.