NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.1178 7.8827 121.4030 61.1573 39.4391 174.3398 32 V 4.0660 8.2855 125.6960 61.5599 31.3675 174.1703 33 L 4.3519 8.4934 128.7419 53.8260 43.3225 176.2839 34 E 4.0447 8.5686 121.7100 55.7326 29.9050 174.5355 35 P 4.2624 0.0000 0.0000 63.4908 32.4346 175.6975 36 I 4.3216 8.9898 124.9489 59.7945 39.0978 174.4897 37 Y 4.8091 8.6126 125.8900 56.3165 38.5781 175.7249 38 W 4.6135 9.0612 135.0000 57.1020 30.4135 174.6497 39 N 5.1734 8.4122 123.7129 53.0556 41.2456 175.2981 40 S 4.2391 8.8277 117.9995 60.1914 63.5790 175.7040 41 S 4.1778 8.1574 115.4923 60.3557 63.2268 174.0240 42 N 4.4501 7.8519 118.8639 53.4884 36.8733 175.5259 43 S 4.0876 8.3599 120.6095 60.0506 63.3208 175.7034 44 K 4.1217 8.3212 120.1835 57.3204 32.6136 176.3092 45 F 4.3503 7.8733 117.4638 57.0499 37.2692 174.0869 46 L 4.3359 8.5402 126.5671 53.1193 42.2872 177.1078 47 P 4.1390 0.0000 0.0000 65.3884 31.7113 177.9537 48 G 3.7820 8.2453 107.3692 47.4916 0.0000 174.4426 49 Q 4.5529 7.9072 114.6846 54.5614 29.8658 177.4183 50 G 3.7541 8.7195 108.2390 45.9893 0.0000 173.0757 51 L 4.7103 8.1141 124.9744 53.1111 42.9814 176.8398 52 V 4.6820 8.1277 126.8171 61.6418 32.9339 174.7605 53 L 4.3692 8.9362 128.5088 53.2764 45.8277 175.0565 54 Y 5.7542 8.0577 122.2973 55.3424 36.3030 173.7110 55 P 4.2483 0.0000 0.0000 62.8488 33.4332 176.8461 56 Q 4.9293 8.6164 119.5524 53.6428 32.1940 175.4669 57 I 3.9235 8.2316 122.9849 63.1930 37.4109 176.5255 58 G 4.0336 8.7719 113.5639 45.1360 0.0000 173.1991 59 D 5.3509 8.5015 120.2363 53.1445 42.9551 175.1538 60 K 5.0709 8.3289 117.1078 55.6749 36.5286 174.8871 61 L 4.9215 8.5763 122.6291 53.7129 45.9200 174.3657 62 D 5.0662 8.6473 125.4972 52.9541 43.1819 175.0987 63 I 4.8636 8.4792 124.3736 59.6735 39.7420 174.8762 64 I 4.9859 8.4273 127.4586 59.8153 41.2919 173.7920 65 C 4.9645 9.3648 126.5806 55.4870 41.0713 171.9713 66 P 5.6606 0.0000 0.0000 62.1663 31.8948 176.1986 67 K 4.7675 8.8083 120.7778 56.3833 34.0302 178.6516 68 V 3.8525 8.4411 121.7864 61.4288 32.5174 174.2747 *76 Y 4.3242 8.1391 119.2269 57.9736 39.5902 174.8757 77 E 4.2646 7.8163 125.7598 55.2077 31.1228 174.3147 78 Y 4.8665 8.4597 121.5604 56.9417 40.1228 174.4072 79 Y 5.1045 8.7241 119.7723 56.7560 43.2622 173.7704 80 K 4.7655 8.7292 122.7138 54.7066 34.1620 175.7764 81 V 4.2171 8.3705 125.7091 61.0884 33.6768 173.8505 82 Y 4.9229 8.8399 125.4914 56.0547 41.2452 174.6691 83 M 4.6635 8.7355 123.6733 55.9630 33.1302 175.4919 84 V 4.8565 9.5915 120.9044 59.7911 35.5373 174.1595 85 D 4.8061 10.2281 121.5822 52.2269 41.5520 177.2751 86 K 2.4800 8.0893 118.5204 59.4668 31.8499 178.2164 87 D 4.1527 9.0771 120.1056 57.3527 40.6898 178.9869 88 Q 3.9172 8.0842 117.8328 58.7612 28.8368 178.2327 89 A 4.0523 8.0380 122.0528 55.5949 18.3182 179.3205 90 D 4.5401 8.6158 114.9937 55.9894 41.0581 177.8930 91 R 4.4391 7.5492 116.6076 54.5179 33.0740 174.7818 92 C 4.3843 7.9326 115.9730 57.9858 38.0723 172.2494 93 T 5.2857 8.0374 107.3952 59.7441 71.9413 175.2149 94 I 4.3909 8.1818 117.8781 59.0099 39.7179 175.0536 95 K 4.4954 8.3711 125.4071 54.5281 34.0552 177.5483 96 K 4.0944 8.8205 122.8624 60.2778 32.3568 177.2953 97 E 3.9052 8.3437 119.0485 58.5735 29.4888 177.3179 98 N 4.2596 8.7995 117.2803 53.6623 38.8836 174.2572 99 T 4.5158 8.0400 119.8921 61.0021 70.5494 172.7775 100 P 3.9398 0.0000 0.0000 62.0635 32.3675 175.5075 101 L 4.2262 7.9675 118.0230 55.4473 42.4528 176.5968 102 L 4.3356 7.0913 119.5266 53.1785 45.6256 174.8117 103 N 4.8170 8.7978 123.8559 52.3647 39.2941 174.0711 104 C 4.8727 9.7313 123.7728 54.6971 40.3770 173.9785 105 A 5.3282 8.2855 130.0536 51.7342 19.6048 177.1749 106 K 4.4222 8.1901 120.1547 54.7176 33.5472 175.1706 107 P 2.9700 0.0000 0.0000 64.5760 31.3999 177.9501 108 D 4.8965 7.6699 113.7413 52.7144 39.6020 175.2583 109 Q 4.4710 7.8963 120.3469 54.6521 32.2798 174.0196 110 D 4.6842 9.0125 126.0058 55.2158 42.1016 175.1131 111 I 4.8523 8.4881 125.6943 59.4967 39.0075 175.3298 112 K 5.1277 8.6431 125.5379 55.0627 35.8439 175.3617 113 F 4.9857 9.3930 124.8246 56.8163 42.7086 173.2331 114 T 4.5100 8.1821 122.2327 61.7199 70.4693 173.6018 115 I 4.0175 7.8074 127.6504 59.2635 39.2015 174.4453 116 K 4.4751 8.2550 128.5181 54.7421 34.0621 176.1471 117 F 4.7986 8.6998 126.9006 57.2855 39.2334 174.4311 118 Q 4.7988 8.2175 121.4048 55.8853 31.1112 174.4264 119 E 4.1238 8.7390 117.3360 57.8135 29.9677 176.6986 120 F 5.1128 8.1842 118.3901 55.8786 40.0874 175.4221 121 S 4.7543 8.3682 119.4658 55.7982 65.7788 173.2124 122 P 4.4330 0.0000 0.0000 64.2393 31.3149 176.2895 123 N 4.4846 7.6614 117.1452 53.8449 39.1543 174.3624 124 L 4.7473 8.6687 124.5400 54.6390 40.7581 176.6068 125 W 4.4036 8.4321 117.4005 56.1938 29.5735 176.4778 126 G 4.0418 8.2833 104.5366 46.5450 0.0000 173.9386 127 L 4.5404 7.6092 119.8143 52.7759 42.2393 175.5372 128 E 4.5711 8.3226 121.2200 54.5636 33.1638 174.3860 129 F 5.0183 8.3528 116.5907 56.1612 42.2631 175.1271 130 Q 4.7813 9.0960 119.7730 54.0568 32.8302 175.0284 131 K 3.8837 9.0987 121.4003 57.6284 32.9863 176.0238 132 N 4.6316 7.9957 114.3696 54.5579 36.7807 174.1736 133 K 4.8294 7.6826 114.5419 54.8056 37.3013 176.1137 134 D 5.3429 8.5740 120.9121 52.8793 43.5555 175.3794 135 Y 4.9378 8.4989 119.5869 56.3999 42.0698 174.1102 136 Y 5.1671 9.0369 120.0165 56.5071 41.3131 174.3612 137 I 5.1595 9.0933 126.4883 59.6280 40.0271 175.2626 138 I 5.3585 8.9511 119.7716 59.8917 41.5591 173.4481 139 S 5.2208 8.9361 115.1015 57.1002 65.7795 174.0851 140 T 4.7981 8.6895 114.8983 61.1357 70.2223 174.5889 141 S 4.8359 8.7114 120.4773 59.5380 63.7134 174.7372 142 N 4.5619 8.9328 119.6138 53.4010 37.6430 174.8335 143 G 3.8368 8.4220 107.8352 46.2569 0.0000 174.2726 144 S 4.7653 8.0160 115.1625 57.5400 63.6104 174.9933 145 L 3.6030 8.3541 123.1109 57.4836 41.9691 177.8996 146 E 4.1127 8.1666 117.2669 58.0619 29.9012 177.4303 147 G 4.1033 7.6826 105.1055 44.6002 0.0000 174.5434 148 L 3.8521 8.0806 123.5197 57.7431 41.9243 177.3181 149 D 4.7881 7.8677 114.4640 53.7298 41.0223 175.3089 150 N 4.2994 8.2780 116.8850 54.1849 38.9172 175.3654 151 Q 4.3980 8.6788 121.1790 55.8511 29.3722 174.8428 152 E 5.0345 7.8542 118.2198 56.2102 33.9386 172.9426 153 G 4.2559 8.4441 115.1034 43.9083 0.0000 178.0332 154 G 4.6352 8.7387 116.0603 45.7554 0.0000 174.0690 155 V 4.3661 8.0023 112.8758 61.0455 32.0623 177.3202 156 C 4.5469 8.1117 120.8424 58.2901 38.3686 174.4610 157 Q 4.7655 7.8418 117.8615 55.6826 29.2354 175.7617 158 T 4.5057 8.2837 106.0520 62.5228 74.5202 173.8450 159 R 4.5479 7.7591 121.7708 54.2479 32.2279 175.0931 160 A 4.7583 7.8593 122.7082 51.7918 18.6588 178.5983 161 M 3.3035 7.9529 123.2184 55.3998 31.2763 175.7459 162 K 5.1504 8.2236 120.7177 56.0383 36.0718 174.7689 163 I 4.7478 9.7460 127.4755 60.1897 39.0724 174.5426 164 L 4.6021 9.2241 129.5821 53.8959 43.7525 175.0592 165 M 4.6505 8.6751 127.4517 53.9664 33.5796 175.5541 166 K 4.5246 9.5590 126.5236 55.2670 31.4087 176.5174 167 V 3.8142 8.4809 125.0633 63.1183 33.2346 176.1341 168 G 4.1347 8.3555 114.3777 46.1006 0.0000 173.4493 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 4.12 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 0.86 0.93 0.00 0.00 32 V 8.29 4.07 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 0.73 0.00 0.00 0.91 0.00 0.00 33 L 8.49 4.35 0.00 1.60 1.58 0.84 0.98 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 34 E 8.57 4.04 0.00 1.96 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 2.31 2.37 0.00 35 P 0.00 4.26 0.00 1.97 1.87 0.00 3.72 0.00 0.00 3.78 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 36 I 8.99 4.32 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.89 0.00 0.00 37 Y 8.61 4.81 0.00 2.94 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 9.06 4.61 0.00 3.52 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.41 5.17 0.00 2.87 2.67 0.00 0.00 7.45 7.63 0.00 0.00 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 8.83 4.24 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.16 4.18 0.00 4.02 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 42 N 7.85 4.45 0.00 2.90 3.01 0.00 0.00 6.98 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 8.36 4.09 0.00 3.87 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 44 K 8.32 4.12 0.00 1.62 1.58 0.00 1.52 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.30 7.81 45 F 7.87 4.35 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.34 0.00 1.84 1.58 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.14 0.00 2.18 2.19 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 48 G 8.25 3.78 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 0.00 0.00 0.00 49 Q 7.91 4.55 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 50 G 8.72 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 0.00 0.00 0.00 0.00 51 L 8.11 4.71 0.00 1.20 1.26 0.51 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.13 4.68 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 0.89 0.00 0.00 1.00 0.00 0.00 53 L 8.94 4.37 0.00 1.60 1.32 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.06 5.75 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 55 P 0.00 4.25 0.00 0.74 1.23 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.24 0.00 56 Q 8.62 4.93 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 57 I 8.23 3.92 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.93 0.00 0.00 58 G 8.77 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 0.00 0.00 0.00 59 D 8.50 5.35 0.00 2.80 2.76 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 0.00 60 K 8.33 5.07 0.00 1.76 1.77 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 61 L 8.58 4.92 0.00 1.90 1.41 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.65 5.07 0.00 2.59 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.86 2.10 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 1.33 0.83 1.06 0.00 0.00 64 I 8.43 4.99 1.37 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 1.00 0.00 0.00 65 C 9.36 4.96 0.00 2.99 3.11 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 0.00 0.00 0.00 0.00 66 P 0.00 5.66 0.00 2.20 2.25 0.00 3.66 0.00 0.00 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 67 K 8.81 4.77 0.00 1.92 2.06 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.49 7.81 68 V 8.44 3.85 2.19 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 0.68 0.00 0.00 0.97 0.00 0.00 *76 Y 8.14 4.32 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.26 0.00 1.97 1.51 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 2.28 2.22 0.00 78 Y 8.46 4.87 0.00 2.90 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 79 Y 8.72 5.10 0.00 2.87 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 80 K 8.73 4.77 0.00 1.72 1.37 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.64 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.35 7.81 81 V 8.37 4.22 1.44 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 -0.06 0.00 0.00 -0.39 0.00 0.00 82 Y 8.84 4.92 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.66 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.82 0.00 84 V 9.59 4.86 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 0.88 0.00 0.00 1.14 0.00 0.00 85 D 10.23 4.81 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 2.48 0.00 1.08 1.49 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.00 7.81 87 D 9.08 4.15 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 88 Q 8.08 3.92 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 89 A 8.04 4.05 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 90 D 8.62 4.54 0.00 2.55 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 91 R 7.55 4.44 0.00 1.73 1.92 0.00 3.41 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 92 C 7.93 4.38 0.00 3.12 3.24 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 93 T 8.04 5.29 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 8.18 4.39 1.10 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.55 0.65 0.00 0.00 95 K 8.37 4.50 0.00 1.63 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.32 7.81 96 K 8.82 4.09 0.00 1.83 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 97 E 8.34 3.91 0.00 1.96 2.03 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 2.14 2.50 0.00 98 N 8.80 4.26 0.00 2.61 2.52 0.00 0.00 6.93 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 8.04 4.52 3.84 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 1.00 0.00 0.00 100 P 0.00 3.94 0.00 1.66 0.86 0.00 3.28 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 1.74 1.79 0.00 101 L 7.97 4.23 0.00 0.41 1.31 0.42 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.09 4.34 0.00 1.15 1.28 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.80 4.82 0.00 2.59 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 9.73 4.87 0.00 3.10 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 5.33 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 8.19 4.42 0.00 1.81 1.67 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.47 7.81 107 P 0.00 2.97 0.00 1.91 1.75 0.00 3.41 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 2.02 1.80 0.00 108 D 7.67 4.90 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 0.00 109 Q 7.90 4.47 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 110 D 9.01 4.68 0.00 2.70 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 8.49 4.85 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.95 0.00 0.00 112 K 8.64 5.13 0.00 1.68 1.71 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.43 7.81 113 F 9.39 4.99 0.00 3.00 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 0.00 114 T 8.18 4.51 4.04 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 1.01 0.00 0.00 115 I 7.81 4.02 1.21 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.21 -0.26 0.00 0.00 116 K 8.25 4.48 0.00 1.65 1.62 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.70 7.81 117 F 8.70 4.80 0.00 2.99 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 0.00 118 Q 8.22 4.80 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 119 E 8.74 4.12 0.00 1.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 120 F 8.18 5.11 0.00 3.18 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.37 4.75 0.00 3.98 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 4.43 0.00 2.10 2.17 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 123 N 7.66 4.48 0.00 2.81 2.78 0.00 0.00 7.04 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 8.67 4.75 0.00 1.77 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.43 4.40 0.00 3.40 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 8.28 4.04 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 0.00 0.00 0.00 127 L 7.61 4.54 0.00 1.90 1.62 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.32 4.57 0.00 2.11 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 2.21 2.35 0.00 129 F 8.35 5.02 0.00 2.96 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 0.00 130 Q 9.10 4.78 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 131 K 9.10 3.88 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.52 7.81 132 N 8.00 4.63 0.00 2.85 2.83 0.00 0.00 6.72 7.49 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 0.00 133 K 7.68 4.83 0.00 2.12 1.47 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.62 7.81 134 D 8.57 5.34 0.00 2.56 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 0.00 0.00 0.00 0.00 135 Y 8.50 4.94 0.00 2.88 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 9.04 5.17 0.00 3.04 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 9.09 5.16 2.14 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 1.50 1.03 0.99 0.00 0.00 138 I 8.95 5.36 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 1.13 0.00 0.00 139 S 8.94 5.22 0.00 4.10 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 0.00 140 T 8.69 4.80 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 1.24 0.00 0.00 141 S 8.71 4.84 0.00 4.23 3.97 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 0.00 142 N 8.93 4.56 0.00 2.75 2.96 0.00 0.00 6.38 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 8.42 3.84 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 0.00 0.00 0.00 144 S 8.02 4.77 0.00 4.05 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 0.00 145 L 8.35 3.60 0.00 1.00 1.46 0.20 0.52 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 0.00 146 E 8.17 4.11 0.00 1.96 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 2.29 2.33 0.00 147 G 7.68 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.85 0.00 1.69 1.69 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.87 4.79 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.30 0.00 3.05 2.79 0.00 0.00 6.99 8.20 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 0.00 151 Q 8.68 4.40 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.25 0.00 152 E 7.85 5.03 0.00 1.86 1.76 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 2.18 2.24 0.00 153 G 8.44 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.74 4.64 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 0.00 155 V 8.00 4.37 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 1.24 0.00 0.00 1.05 0.00 0.00 156 C 8.11 4.55 0.00 3.24 3.19 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 0.00 0.00 0.00 0.00 157 Q 7.84 4.77 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.33 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 158 T 8.28 4.51 4.24 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 1.24 0.00 0.00 159 R 7.76 4.55 0.00 1.80 1.77 0.00 2.96 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 160 A 7.86 4.76 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 7.95 3.30 0.00 0.51 1.68 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.44 0.00 162 K 8.22 5.15 0.00 1.99 2.01 0.00 1.58 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.61 7.81 163 I 9.75 4.75 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 1.03 0.00 0.00 164 L 9.22 4.60 0.00 1.74 1.54 0.59 0.84 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 0.00 165 M 8.68 4.65 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 166 K 9.56 4.52 0.00 1.81 1.67 0.00 1.88 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.69 7.81 167 V 8.48 3.81 2.32 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 0.80 0.00 0.00 0.96 0.00 0.00 168 G 8.36 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.