NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2975 8.4444 116.7506 55.2003 31.6707 175.5454 11 C 4.0674 8.0613 120.0330 60.6874 32.3445 172.5042 *12 K 4.4854 8.2404 123.0412 52.2003 33.4369 177.9375 13 D 4.8025 7.8535 122.0622 52.6150 41.4296 173.9851 14 E 4.0532 8.8161 129.7486 59.7115 29.5212 179.0930 15 K 4.1161 8.1163 123.1146 59.2449 31.9639 182.4847 16 K 4.1425 8.0353 121.0812 59.4789 32.1132 178.9648 17 I 3.7403 7.6604 119.5559 64.7464 37.0710 178.5466 18 T 3.8949 7.7749 116.2742 66.5962 68.3648 176.2076 19 E 3.9832 8.4278 121.2483 59.2430 29.5792 178.5675 20 F 4.1935 8.4986 120.7035 61.5494 39.3124 177.1965 21 L 3.9285 8.4041 117.0730 57.5716 41.3241 178.8848 22 N 4.5804 8.0684 115.9282 55.4454 38.6145 176.8571 23 K 4.0952 7.4914 118.0529 56.9559 33.1285 177.5781 24 A 4.3284 7.1808 120.8532 52.1366 18.6806 177.6290 25 R 4.3094 8.8024 121.7513 58.3299 30.7807 177.4085 26 T 5.0386 8.0041 112.5589 61.7405 72.2956 173.7467 27 G 3.7755 9.2962 112.1101 44.1235 0.0000 171.4843 28 F 4.8074 7.7836 118.3493 55.2024 42.1250 174.2472 29 L 4.8261 8.7239 127.5359 53.6245 43.7211 175.1642 30 G 4.4908 9.3152 114.4460 44.5800 0.0000 172.2861 31 L 5.5383 9.1463 124.6927 53.1520 46.3562 175.6347 32 S 5.4998 8.7487 113.9246 57.3773 66.1536 173.5552 33 T 4.6317 8.2236 111.8313 60.8621 72.0293 174.2208 34 N 4.0523 8.7194 122.6656 55.4142 36.9861 175.1865 35 D 4.8311 8.5464 115.9350 54.5905 40.6711 173.4471 36 Q 4.6087 7.7461 123.4917 54.3086 30.7892 173.0541 37 P 4.9551 0.0000 0.0000 62.7913 32.7661 175.6636 38 Y 4.9688 9.1418 123.4061 56.3480 42.4139 173.7337 39 V 4.9060 8.3961 126.2647 60.9647 34.1209 174.4189 40 I 4.6276 8.1572 121.0803 58.1222 40.8068 173.0821 41 P 4.1314 0.0000 0.0000 62.7082 32.2645 175.4080 42 L 4.6616 8.4975 121.0465 53.1348 46.4090 175.4161 43 N 5.2247 8.6937 119.6900 53.7065 39.3051 174.1257 44 F 5.2895 8.6264 115.7574 56.4648 41.4203 173.5022 45 V 4.5223 8.9580 112.0674 59.3578 35.8213 174.4804 46 W 5.5432 8.9404 133.3444 56.4700 31.8423 174.8006 47 H 4.5657 9.4230 125.5980 55.6832 33.4808 173.4781 48 N 3.8366 8.1532 120.9236 55.3063 37.9297 175.7072 49 H 4.4888 8.1411 115.5443 55.3358 29.0484 173.4206 50 A 4.8303 7.0887 120.0647 51.1001 23.8463 176.4833 51 I 5.0639 8.2311 120.3283 60.0282 39.4146 174.7470 52 Y 5.8386 9.4588 124.3384 55.5162 41.4460 174.7239 53 F 5.3949 8.2474 115.8413 55.9434 41.9820 172.1332 54 H 5.4007 9.1191 119.8805 54.9872 31.1609 174.1152 55 G 4.5845 9.1780 110.9724 44.6056 0.0000 171.9685 56 A 4.6268 8.7482 123.5754 51.5806 19.6321 177.9356 57 S 5.1281 9.3952 119.1710 58.3703 63.4033 174.4148 58 E 4.7009 8.0468 114.3552 55.0872 33.6157 176.8786 59 G 3.9651 8.8384 103.4758 44.3283 0.0000 175.1962 60 R 3.8150 8.7001 119.3759 59.1237 30.0485 177.4555 61 K 4.2071 8.3931 115.4054 60.0821 32.6265 177.8351 62 I 3.9708 7.6513 119.5694 63.5662 37.6829 178.3824 63 K 3.7367 8.0345 116.6242 57.5022 31.9040 178.5749 *65 I 4.2899 7.8573 122.0267 61.5829 38.9019 177.9851 66 E 4.0626 8.1845 118.3809 59.2545 29.5716 178.4362 67 A 4.0708 8.0570 121.2543 54.6927 18.4950 177.2301 68 N 4.7496 7.4997 114.9835 52.0542 39.9695 171.6920 69 P 4.6761 0.0000 0.0000 63.1248 32.8936 175.3540 70 E 4.7898 8.2236 121.1462 56.5855 29.7260 176.3718 71 V 4.8240 8.9877 117.2302 59.7727 37.0553 173.8018 72 C 4.9708 8.9710 120.7096 57.6966 34.9916 172.3978 73 F 5.0928 9.3549 127.4059 56.7383 42.1598 173.3539 74 T 4.9700 8.1283 122.7085 61.7197 71.6204 173.2489 75 I 4.8774 8.7695 126.2929 59.8030 41.3908 174.1508 76 C 5.0899 8.5072 124.9108 59.0857 34.1984 172.9923 77 E 4.9478 8.6113 123.4802 56.6463 32.6845 173.8171 78 D 4.0495 8.2591 118.8493 56.9069 41.5917 178.1267 79 L 4.0764 7.5675 125.3722 54.3456 40.0324 176.0476 *93 A 4.2638 7.7973 123.7847 52.0436 20.2573 176.1604 94 Y 5.2061 8.3711 118.5657 55.3690 41.8495 174.3822 *96 S 4.6691 8.3991 113.0531 59.0081 64.8714 172.8997 97 V 4.8784 9.2273 123.3421 61.1010 34.5426 174.0481 98 I 4.8425 8.9326 127.7542 59.4443 40.6926 174.4228 99 I 4.8779 8.5346 127.0658 59.5797 40.2786 174.5359 100 F 5.1844 9.7639 126.1926 55.5315 41.8574 176.5072 101 G 4.7531 7.4701 106.7721 45.9703 0.0000 171.2163 102 T 5.1431 7.1980 108.5117 59.9347 71.8325 173.0830 103 I 5.1323 8.2088 124.0762 59.8766 40.3378 174.3151 104 E 4.9944 8.7237 123.0631 54.6226 32.9715 172.8309 105 P 4.4227 0.0000 0.0000 62.7371 32.5411 175.5235 106 V 4.1444 8.3023 123.1680 62.1382 31.6978 175.7813 107 S 4.4327 8.6609 121.0012 58.4291 64.9563 173.9050 108 A 3.9886 7.8628 124.4739 52.2562 18.3967 177.8933 109 I 3.6806 8.4649 124.6812 64.7547 37.1817 178.3673 110 E 3.9855 7.9384 118.7330 58.8143 29.6887 178.1477 111 E 3.8644 8.1803 119.0447 59.4675 29.4097 178.9084 112 G 3.5934 8.0488 104.3357 48.2714 0.0000 175.3285 113 T 4.1029 7.6993 119.3950 66.6046 68.8204 177.2460 114 E 4.0426 8.6182 120.3879 60.9989 29.4747 182.3320 115 A 3.7887 7.1651 119.3245 52.4551 19.2381 178.1419 *117 Q 4.2347 8.0769 123.5012 57.8153 30.9692 177.7217 118 Q 4.1967 8.2480 116.5246 56.7138 28.7768 177.8589 *120 L 4.3473 8.0901 117.5364 54.4736 43.5407 178.8338 121 D 4.2124 8.1632 116.9989 57.3074 41.0120 178.1570 122 K 3.9018 7.8943 118.7961 58.9371 32.2479 177.1648 123 Y 4.4073 7.7997 113.8377 58.7248 39.4762 176.1352 124 V 4.5806 8.3285 112.4600 59.3414 32.0922 173.4557 125 P 4.6436 0.0000 0.0000 62.9580 32.4709 177.6624 *143 S 4.4530 8.0560 114.4380 59.3332 64.0466 173.0555 144 L 4.5094 8.0453 118.7710 55.9947 41.6817 178.8883 145 G 4.0603 8.0156 107.8618 49.1646 0.0000 176.0665 146 S 4.1229 8.0349 114.7697 59.9684 62.8677 174.3746 147 R 4.7208 7.8612 121.8884 54.6505 33.1964 173.9480 148 T 5.2999 8.5544 112.8418 60.1211 72.5739 172.3220 149 A 4.5671 8.9928 122.1988 50.9869 23.4822 175.0318 150 I 4.5940 7.9283 119.5969 60.4273 39.2371 174.8780 151 Y 4.8265 8.6981 124.0833 55.8977 41.3875 174.6891 152 K 4.5548 8.8699 122.9715 54.7405 35.7810 174.8231 153 I 4.8790 8.6176 129.4911 59.6456 39.0569 175.0715 154 S 4.4276 8.7357 123.7347 57.9107 64.2807 173.5954 155 C 4.5630 8.4999 125.9738 59.3254 29.6401 173.1908 156 R 4.1976 8.6941 125.0929 58.5492 30.4187 175.6865 157 E 4.9469 8.6114 119.1429 54.4147 33.4423 173.8381 158 R 5.3458 8.7264 124.8431 54.9368 33.6430 174.1074 159 T 4.8878 9.2858 114.9864 59.9908 72.3450 172.5450 160 A 5.2569 8.5134 124.3484 50.5682 22.4763 175.2198 161 K 4.5521 8.4829 116.9194 55.2709 36.6681 175.7021 162 V 4.5848 8.3139 122.9131 61.2755 33.8174 174.4644 163 N 4.8528 9.4692 126.4587 52.0521 42.1045 175.2274 164 E 4.0208 9.3623 120.7600 58.0240 30.5624 175.7091 165 P 4.6837 0.0000 0.0000 62.0520 31.9561 176.4043 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 10 E 8.44 4.30 0.00 2.01 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 2.13 1.88 0.00 11 C 8.06 4.07 0.00 2.96 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 *12 K 8.24 4.49 0.00 1.77 1.58 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.98 7.81 13 D 7.85 4.80 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 14 E 8.82 4.05 0.00 2.21 2.01 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 2.38 1.97 0.00 15 K 8.12 4.12 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.06 7.81 16 K 8.04 4.14 0.00 2.00 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.36 7.81 17 I 7.66 3.74 1.89 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 1.49 0.67 0.85 0.00 0.00 18 T 7.77 3.89 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 19 E 8.43 3.98 0.00 2.28 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 0.00 2.31 2.19 0.00 20 F 8.50 4.19 0.00 3.19 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 21 L 8.40 3.93 0.00 1.43 1.48 -0.30 0.96 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 22 N 8.07 4.58 0.00 2.91 2.88 0.00 0.00 6.97 6.89 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 23 K 7.49 4.10 0.00 1.92 1.79 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.31 7.81 24 A 7.18 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.80 4.31 0.00 1.94 2.17 0.00 3.30 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 26 T 8.00 5.04 4.32 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 0.00 0.00 0.00 0.83 0.00 0.00 27 G 9.30 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 28 F 7.78 4.81 0.00 2.83 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 29 L 8.72 4.83 0.00 1.79 1.37 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.32 4.49 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 0.00 31 L 9.15 5.54 0.00 1.67 1.61 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.75 5.50 0.00 3.85 3.82 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 33 T 8.22 4.63 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 1.23 0.00 0.00 34 N 8.72 4.05 0.00 2.89 2.78 0.00 0.00 6.79 8.06 0.00 0.00 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 8.55 4.83 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.75 4.61 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.41 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 37 P 0.00 4.96 0.00 2.02 2.00 0.00 3.73 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 38 Y 9.14 4.97 0.00 2.87 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 39 V 8.40 4.91 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 0.92 0.00 0.00 0.90 0.00 0.00 40 I 8.16 4.63 1.62 0.00 0.00 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 0.86 0.74 0.29 0.00 0.00 41 P 0.00 4.13 0.00 1.72 1.40 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 42 L 8.50 4.66 0.00 1.44 1.34 -0.18 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.69 5.22 0.00 2.38 2.04 0.00 0.00 6.78 7.45 0.00 0.00 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 F 8.63 5.29 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.96 4.52 2.18 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 0.72 0.00 0.00 1.06 0.00 0.00 46 W 8.94 5.54 0.00 3.61 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 47 H 9.42 4.57 0.00 3.20 3.22 0.00 5.98 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.15 3.84 0.00 2.92 2.54 0.00 0.00 6.75 8.16 0.00 0.00 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 H 8.14 4.49 0.00 3.16 3.15 0.00 5.89 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 50 A 7.09 4.83 0.92 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 0.00 0.00 51 I 8.23 5.06 1.65 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.29 0.00 0.00 52 Y 9.46 5.84 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 53 F 8.25 5.39 0.00 3.28 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 54 H 9.12 5.40 0.00 3.20 3.31 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.18 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 56 A 8.75 4.63 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.40 5.13 0.00 4.06 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 58 E 8.05 4.70 0.00 1.99 1.69 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 2.14 2.09 0.00 59 G 8.84 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 0.00 0.00 0.00 60 R 8.70 3.82 0.00 1.64 1.89 0.00 2.85 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 61 K 8.39 4.21 0.00 1.94 2.10 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 62 I 7.65 3.97 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.98 0.00 0.00 63 K 8.03 3.74 0.00 2.07 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.30 7.81 *65 I 7.86 4.29 1.96 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 1.46 0.97 0.97 0.00 0.00 66 E 8.18 4.06 0.00 2.21 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 2.39 2.31 0.00 67 A 8.06 4.07 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.50 4.75 0.00 2.76 2.82 0.00 0.00 7.31 7.57 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 69 P 0.00 4.68 0.00 2.20 2.30 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 70 E 8.22 4.79 0.00 2.16 2.01 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 2.38 2.47 0.00 71 V 8.99 4.82 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 0.87 0.00 0.00 1.02 0.00 0.00 72 C 8.97 4.97 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.35 5.09 0.00 3.00 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 74 T 8.13 4.97 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 1.08 0.00 0.00 75 I 8.77 4.88 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.64 0.90 0.00 0.00 76 C 8.51 5.09 0.00 2.97 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 77 E 8.61 4.95 0.00 2.42 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 0.00 2.38 2.37 0.00 78 D 8.26 4.05 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.08 0.00 1.73 1.65 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *93 A 7.80 4.26 1.23 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 0.00 0.00 94 Y 8.37 5.21 0.00 2.94 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 *96 S 8.40 4.67 0.00 3.89 4.01 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 97 V 9.23 4.88 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 0.98 0.00 0.00 1.02 0.00 0.00 98 I 8.93 4.84 1.77 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 1.07 0.60 0.15 0.00 0.00 99 I 8.53 4.88 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 1.01 0.00 0.00 100 F 9.76 5.18 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 0.00 101 G 7.47 4.75 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 0.00 102 T 7.20 5.14 4.28 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 1.29 0.00 0.00 103 I 8.21 5.13 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 1.04 0.00 0.00 104 E 8.72 4.99 0.00 2.06 1.99 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 2.15 2.21 0.00 105 P 0.00 4.42 0.00 1.89 1.81 0.00 3.78 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 1.95 1.99 0.00 106 V 8.30 4.14 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 0.79 0.00 0.00 0.99 0.00 0.00 107 S 8.66 4.43 0.00 3.95 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 0.00 108 A 7.86 3.99 1.27 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 0.00 0.00 109 I 8.46 3.68 1.84 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 1.60 0.69 0.87 0.00 0.00 110 E 7.94 3.99 0.00 2.01 1.94 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 2.35 2.38 0.00 111 E 8.18 3.86 0.00 2.00 1.92 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 2.37 2.38 0.00 112 G 8.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.70 4.10 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 1.15 0.00 0.00 114 E 8.62 4.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 115 A 7.17 3.79 0.61 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 0.00 0.00 *117 Q 8.08 4.23 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.11 0.00 0.00 0.00 0.00 0.00 2.32 1.93 0.00 118 Q 8.25 4.20 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.17 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 *120 L 8.09 4.35 0.00 1.78 1.75 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.16 4.21 0.00 3.05 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 0.00 122 K 7.89 3.90 0.00 1.52 1.64 0.00 1.58 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.84 7.81 123 Y 7.80 4.41 0.00 3.02 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 0.00 124 V 8.33 4.58 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 1.03 0.00 0.00 125 P 0.00 4.64 0.00 2.15 2.28 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 *143 S 8.06 4.45 0.00 3.88 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 0.00 144 L 8.05 4.51 0.00 1.65 1.66 0.84 0.86 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 0.00 145 G 8.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.03 4.12 0.00 3.85 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 0.00 147 R 7.86 4.72 0.00 1.87 1.81 0.00 3.23 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 148 T 8.55 5.30 4.37 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 1.23 0.00 0.00 149 A 8.99 4.57 0.82 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 0.00 0.00 150 I 7.93 4.59 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.97 0.00 0.00 151 Y 8.70 4.83 0.00 1.43 2.39 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 0.00 152 K 8.87 4.55 0.00 1.48 1.57 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 0.70 7.81 153 I 8.62 4.88 1.80 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 1.35 0.77 0.95 0.00 0.00 154 S 8.74 4.43 0.00 3.91 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 0.00 155 C 8.50 4.56 0.00 3.24 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 0.00 156 R 8.69 4.20 0.00 1.93 2.17 0.00 3.26 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 157 E 8.61 4.95 0.00 2.13 1.85 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 2.42 2.32 0.00 158 R 8.73 5.35 0.00 1.87 1.80 0.00 2.97 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 159 T 9.29 4.89 4.30 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 0.00 0.00 0.00 1.35 0.00 0.00 160 A 8.51 5.26 1.14 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 0.00 161 K 8.48 4.55 0.00 1.59 1.77 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.37 7.81 162 V 8.31 4.58 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 0.80 0.00 0.00 0.85 0.00 0.00 163 N 9.47 4.85 0.00 2.68 2.63 0.00 0.00 6.93 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 9.36 4.02 0.00 1.98 1.78 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 2.23 1.88 0.00 165 P 0.00 4.68 0.00 2.02 1.76 0.00 3.74 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 1.82 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.