NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2727 8.2531 123.5814 51.9449 20.7080 177.6325 4 G 3.8834 7.8184 101.8747 45.3740 0.0000 170.9371 5 V 4.0835 8.1153 124.6681 65.1883 32.2920 180.0034 6 A 4.2027 8.2211 118.8253 55.6027 17.8972 178.5589 7 A 4.1556 7.5820 114.8774 53.0838 18.8173 178.4358 8 W 4.7058 8.6441 120.3477 58.1022 30.0639 178.9939 9 L 4.1847 7.7877 122.8302 58.6913 40.2855 182.6159 10 P 4.4855 0.0000 0.0000 65.8470 30.8859 178.5491 11 F 4.4282 7.5504 116.4614 60.0717 38.9392 177.2742 12 A 4.2536 8.1439 122.8264 55.9259 18.5276 180.0670 13 R 3.8095 8.4438 119.1117 61.7846 29.1579 180.7549 14 A 4.2264 8.2387 119.8546 55.1670 18.2067 178.9565 15 A 4.1928 8.1545 116.7570 53.4255 18.8002 179.1069 16 A 3.7572 7.9612 122.3334 54.3268 18.9221 175.9323 17 I 3.8548 6.7244 117.8213 61.6946 34.8468 176.4762 18 G 4.2447 7.7968 123.1340 44.7650 0.0000 171.5827 19 W 4.3660 7.5429 120.4670 57.2313 31.8896 174.3278 20 M 2.8021 9.1275 121.8129 55.1314 31.5354 175.8655 *24 N 4.5029 8.3423 118.4111 53.2514 38.9873 171.4529 25 C 4.8439 8.0138 116.4797 57.0044 33.4796 176.2218 26 P 4.4295 0.0000 0.0000 64.6247 28.9114 178.1767 *33 D 4.7649 9.4415 116.2769 53.9178 42.3119 178.2563 34 K 4.4436 8.0199 120.4759 56.8425 34.1702 179.9800 35 N 4.7659 8.2069 115.4201 53.0202 38.0757 178.5592 36 K 4.4103 7.4951 123.2435 55.5682 30.0583 183.0589 37 R 4.0998 7.6898 122.4578 56.4616 30.4706 179.2337 38 Q 4.1403 8.6757 121.4344 54.5525 28.5954 173.2023 39 D 4.7768 8.4599 120.5343 53.5444 42.3231 175.1950 40 E 5.1067 8.6207 123.4757 54.4672 33.7914 174.7759 41 L 4.7208 8.5715 122.0668 54.3597 42.7271 176.4558 42 I 4.6469 9.1556 117.1179 59.3025 40.8622 174.5106 43 V 4.7195 8.5223 122.4149 61.3688 34.1480 174.1605 44 L 5.1149 9.5190 130.1481 52.9673 43.2891 175.2751 45 N 4.7825 9.6145 124.9825 53.5360 40.2144 174.0073 46 V 4.3452 9.0725 128.1844 61.1820 33.1230 175.2168 47 S 3.6341 8.7399 119.1943 58.0998 62.5296 171.5211 48 G 3.5939 7.5501 112.9460 46.0627 0.0000 175.0085 49 R 3.7019 7.8748 122.3098 56.0532 30.1607 176.2545 50 R 4.6105 8.1122 123.1396 54.8625 29.6705 176.0073 51 F 4.3404 9.2152 123.5031 57.3550 40.3975 174.4720 52 Q 5.1459 8.5650 120.2397 54.6991 32.2151 174.4218 53 T 4.5592 8.4995 116.1427 60.5435 71.7033 172.7700 54 W 4.8433 8.6852 125.8456 56.3954 30.1741 177.0207 55 R 4.0039 9.6208 124.7009 60.1982 28.9591 178.5977 56 T 3.9189 7.5292 109.0386 65.6889 67.9194 175.9573 57 T 4.0397 8.4205 118.4598 66.4780 68.5486 176.4664 58 L 4.1149 8.2726 120.9444 57.6643 41.6090 179.0441 59 E 4.1686 7.7914 116.5117 58.8239 29.3780 178.7927 60 R 4.1027 7.5311 118.3376 58.0619 31.3677 175.8058 61 Y 4.4002 7.7700 116.6276 54.7882 38.0552 173.0161 62 P 4.6366 0.0000 0.0000 62.3857 32.5761 177.1992 63 D 4.7430 8.8562 114.4249 53.9457 37.9172 173.3256 64 T 4.5839 6.7495 108.9920 60.8407 70.5948 175.8454 65 L 3.6154 7.8995 124.5901 57.8603 43.7202 178.7840 66 L 4.0099 7.9135 118.3753 57.5700 41.9616 179.0652 67 G 4.4611 8.3199 107.2223 47.5645 0.0000 172.9559 68 S 5.0025 7.7257 114.5765 57.4782 65.4211 173.8653 69 T 4.1178 8.3991 111.9515 64.8308 67.0944 176.8064 70 E 4.1757 8.4284 121.6010 59.5000 29.4987 178.7056 71 K 4.3865 8.0091 117.4932 59.8544 32.2296 178.3637 72 E 4.2879 8.6799 121.0392 59.2278 29.2288 178.0436 73 F 4.6636 8.4041 115.9103 58.8598 39.1459 175.4583 74 F 4.8283 8.8685 117.2830 56.9652 40.6823 174.4653 75 F 4.4117 8.2358 122.4220 57.4600 40.3769 174.2632 76 N 4.5370 7.7040 125.0030 51.6980 39.9106 174.7718 77 E 3.8892 8.9726 127.6958 59.5640 29.2238 177.3209 78 D 4.4280 7.4834 118.1886 56.5402 41.2874 177.5447 79 T 3.7504 7.7501 113.6029 62.7171 69.0058 174.0238 80 K 3.6270 7.6156 122.2947 56.5287 31.2307 174.2023 81 E 4.7425 6.7281 111.8756 54.5441 33.4063 173.5211 82 Y 4.6530 8.5128 118.4573 58.0544 39.1579 174.4228 83 F 5.2873 8.9769 126.8302 56.3210 42.1784 174.1299 84 F 4.9641 8.5046 124.7312 55.1284 41.9038 175.2322 85 D 4.8303 8.7657 124.2326 54.7413 41.4924 175.8532 86 R 4.3883 7.4583 116.6468 53.6717 32.6727 175.6709 87 D 4.4744 8.3526 118.4899 54.1168 41.4946 175.1952 88 P 4.4341 0.0000 0.0000 65.4534 31.9388 178.0951 89 E 4.1979 8.2664 118.9263 59.3808 29.6927 178.6805 90 V 3.6943 9.8399 118.7533 66.0795 31.5752 177.4141 91 F 3.3852 7.8582 119.7640 61.3309 38.8415 177.3495 92 R 4.0107 8.1225 117.5898 59.5488 29.8797 178.7756 93 C 4.1475 8.3691 116.6138 62.7313 27.9767 175.9559 94 V 3.3330 7.4816 117.9910 65.9493 31.1337 177.2670 95 L 3.7597 7.4905 119.8856 58.3228 41.8902 178.6956 96 N 4.4219 8.5088 116.5228 56.2018 38.1465 177.1513 97 F 4.4600 8.2574 123.4258 60.8833 39.5204 176.5554 98 Y 3.9281 8.2019 115.3817 61.1303 37.6652 177.1224 99 R 4.2352 7.7304 119.6456 57.3154 30.3707 176.6157 100 T 4.2332 7.1145 108.5938 60.9437 70.3658 176.2634 101 G 3.5679 8.5638 111.9334 48.0711 0.0000 173.7662 102 K 4.3355 7.5597 119.8265 55.4377 33.4451 175.6956 103 L 4.7383 8.6232 126.5036 54.1701 43.5958 174.6013 104 H 4.9420 8.8785 123.2654 54.3052 31.2041 174.0906 105 Y 4.1099 8.4903 123.3646 55.1012 38.5525 173.2360 106 P 3.7796 0.0000 0.0000 63.4699 30.4221 178.6642 107 R 3.8761 7.9854 122.4212 56.2304 28.7044 174.4058 108 Y 4.6324 7.9064 118.4330 59.1793 39.9534 176.2657 109 E 4.1216 6.6515 117.9057 55.7246 30.2596 176.5368 110 C 4.3963 8.3143 121.4283 59.3720 33.2222 173.9301 111 I 3.8035 8.6697 128.6632 65.1629 36.7354 177.8938 112 S 4.0924 8.1769 112.3528 61.8662 62.0006 176.1126 113 A 4.0477 7.6183 121.6623 55.1478 18.0485 178.1680 114 Y 4.4826 8.3421 116.0186 58.3668 39.7784 177.6123 115 D 4.1648 8.1475 119.7146 57.4816 41.2094 177.5897 116 D 4.4217 7.9871 119.4749 57.8075 40.9399 179.2226 117 E 3.9647 7.6763 118.4813 59.4407 29.5435 179.3562 118 L 3.8778 7.6440 118.7575 57.7454 41.6479 179.4784 119 A 3.9411 8.3542 121.1004 54.8990 18.0518 179.3978 120 F 3.9910 7.6768 117.7464 61.6804 39.7375 176.5017 121 Y 4.2710 7.8305 114.0906 58.0875 37.4619 176.8127 122 G 3.8028 7.5108 106.8132 45.8688 0.0000 173.1293 123 I 4.0843 7.2073 119.9705 58.9182 38.7003 175.7666 124 L 4.0880 8.3816 125.4090 54.4508 42.1995 176.4315 125 P 3.8108 0.0000 0.0000 64.9519 32.1743 176.6847 126 E 4.5236 7.6095 113.9176 55.3640 28.9902 175.8669 127 I 4.1782 7.5262 116.0160 61.8686 37.8464 177.0223 128 I 3.9548 6.8025 121.8588 60.4417 37.5307 176.7827 129 G 3.8649 8.4604 111.3618 44.5475 0.0000 174.2274 130 D 4.4871 8.5550 120.0060 57.1500 40.7678 178.5460 131 C 4.3224 8.1505 114.2244 60.8802 29.9414 174.6489 132 C 4.8262 8.0470 119.7437 61.1577 29.3673 175.8809 *133 Y 4.3930 7.9802 121.6308 60.8377 36.2920 181.9716 134 E 4.2326 8.0892 118.1985 60.5814 29.8818 178.9021 135 E 4.1616 8.1329 117.8064 59.1665 29.4723 178.5192 136 Y 3.7668 8.6100 122.0314 61.0122 38.9504 178.3159 137 K 4.0311 7.8190 123.8094 59.6246 31.7630 181.6115 138 D 4.8468 7.9330 118.9456 55.3623 40.9692 176.9378 139 R 4.6676 7.6545 117.5104 56.4030 30.0883 176.0172 140 K 4.0109 8.1300 125.7745 55.7648 32.5681 178.2083 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 3 A 8.25 4.27 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 4 G 7.82 3.88 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 0.00 0.00 0.00 5 V 8.12 4.08 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.22 4.20 1.32 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 0.00 0.00 0.00 7 A 7.58 4.16 1.26 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 8 W 8.64 4.71 0.00 3.53 3.41 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 9 L 7.79 4.18 0.00 1.65 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.49 0.00 1.91 2.16 0.00 3.41 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 1.52 1.79 0.00 11 F 7.55 4.43 0.00 3.32 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 12 A 8.14 4.25 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 13 R 8.44 3.81 0.00 1.79 1.99 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 14 A 8.24 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.15 4.19 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 16 A 7.96 3.76 0.97 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 17 I 6.72 3.85 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 0.73 0.91 0.00 0.00 18 G 7.80 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 0.00 0.00 0.00 0.00 19 W 7.54 4.37 0.00 3.52 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 20 M 9.13 2.80 0.00 1.80 1.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 *24 N 8.34 4.50 0.00 2.81 2.63 0.00 0.00 6.29 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 25 C 8.01 4.84 0.00 2.68 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 26 P 0.00 4.43 0.00 2.08 1.40 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 1.94 1.58 0.00 *33 D 9.44 4.76 0.00 2.72 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 34 K 8.02 4.44 0.00 1.63 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 0.95 7.81 35 N 8.21 4.77 0.00 2.74 2.73 0.00 0.00 6.55 7.44 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 36 K 7.50 4.41 0.00 1.78 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.39 1.25 7.81 37 R 7.69 4.10 0.00 1.82 1.76 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 Q 8.68 4.14 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 39 D 8.46 4.78 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.62 5.11 0.00 2.05 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 2.36 2.40 0.00 41 L 8.57 4.72 0.00 1.35 1.36 0.80 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.16 4.65 2.18 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 1.38 0.88 1.07 0.00 0.00 43 V 8.52 4.72 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 1.11 0.00 0.00 0.99 0.00 0.00 44 L 9.52 5.11 0.00 1.68 1.80 1.11 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.61 4.78 0.00 2.85 3.00 0.00 0.00 6.35 7.67 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 46 V 9.07 4.35 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 0.91 0.00 0.00 0.04 0.00 0.00 47 S 8.74 3.63 0.00 4.25 4.21 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 0.00 0.00 0.00 48 G 7.55 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 49 R 7.87 3.70 0.00 1.76 1.39 0.00 3.17 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 50 R 8.11 4.61 0.00 1.63 1.87 0.00 3.20 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 51 F 9.22 4.34 0.00 3.05 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 52 Q 8.56 5.15 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 53 T 8.50 4.56 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 1.24 0.00 0.00 54 W 8.69 4.84 0.00 3.53 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 55 R 9.62 4.00 0.00 2.13 2.09 0.00 3.19 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 56 T 7.53 3.92 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 1.36 0.00 0.00 57 T 8.42 4.04 4.50 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 1.37 0.00 0.00 58 L 8.27 4.11 0.00 1.88 1.70 0.77 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.79 4.17 0.00 2.18 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 2.40 2.55 0.00 60 R 7.53 4.10 0.00 1.84 2.17 0.00 3.37 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.57 0.00 61 Y 7.77 4.40 0.00 2.79 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 62 P 0.00 4.64 0.00 2.25 2.24 0.00 3.93 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 63 D 8.86 4.74 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 6.75 4.58 4.44 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 1.26 0.00 0.00 65 L 7.90 3.62 0.00 1.73 1.62 0.28 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.91 4.01 0.00 1.26 1.45 0.50 0.66 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 67 G 8.32 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.73 5.00 0.00 4.05 4.07 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 69 T 8.40 4.12 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 1.26 0.00 0.00 70 E 8.43 4.18 0.00 2.21 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 0.00 2.75 2.71 0.00 71 K 8.01 4.39 0.00 2.23 2.35 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.52 7.81 72 E 8.68 4.29 0.00 2.23 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 2.21 2.32 0.00 73 F 8.40 4.66 0.00 3.28 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 74 F 8.87 4.83 0.00 3.14 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 75 F 8.24 4.41 0.00 2.76 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 76 N 7.70 4.54 0.00 2.56 2.39 0.00 0.00 6.58 8.27 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 77 E 8.97 3.89 0.00 1.94 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 2.31 2.44 0.00 78 D 7.48 4.43 0.00 2.66 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 79 T 7.75 3.75 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 1.08 0.00 0.00 80 K 7.62 3.63 0.00 2.00 1.86 0.00 1.86 0.00 0.00 2.04 0.00 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.51 7.81 81 E 6.73 4.74 0.00 2.24 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 82 Y 8.51 4.65 0.00 3.28 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.98 5.29 0.00 2.92 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 84 F 8.50 4.96 0.00 2.84 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 85 D 8.77 4.83 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 86 R 7.46 4.39 0.00 1.85 2.00 0.00 3.13 0.00 0.00 2.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.00 87 D 8.35 4.47 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.41 2.46 0.00 3.89 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 2.07 2.06 0.00 89 E 8.27 4.20 0.00 2.22 2.27 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 2.55 2.63 0.00 90 V 9.84 3.69 2.28 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 1.13 0.00 0.00 1.16 0.00 0.00 91 F 7.86 3.39 0.00 3.32 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 92 R 8.12 4.01 0.00 2.36 2.09 0.00 3.32 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 93 C 8.37 4.15 0.00 3.12 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 94 V 7.48 3.33 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 0.00 0.00 0.14 0.00 0.00 0.49 0.00 0.00 95 L 7.49 3.76 0.00 1.48 1.55 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.51 4.42 0.00 3.06 2.94 0.00 0.00 6.74 7.67 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 97 F 8.26 4.46 0.00 2.87 3.18 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 0.00 0.00 0.00 0.00 98 Y 8.20 3.93 0.00 3.06 3.29 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 0.00 99 R 7.73 4.24 0.00 1.96 1.91 0.00 3.23 0.00 0.00 3.36 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 100 T 7.11 4.23 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 0.00 101 G 8.56 3.57 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 0.00 0.00 0.00 102 K 7.56 4.34 0.00 1.61 1.57 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.35 7.81 103 L 8.62 4.74 0.00 1.88 1.54 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.88 4.94 0.00 3.10 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.49 4.11 0.00 2.79 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 0.00 106 P 0.00 3.78 0.00 0.74 1.71 0.00 2.98 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 1.20 1.56 0.00 107 R 7.99 3.88 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 7.91 4.63 0.00 2.78 2.96 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 0.00 0.00 0.00 109 E 6.65 4.12 0.00 1.41 1.81 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 2.24 2.12 0.00 110 C 8.31 4.40 0.00 3.03 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 0.00 111 I 8.67 3.80 1.84 0.00 0.00 0.22 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 0.82 0.83 0.00 0.00 112 S 8.18 4.09 0.00 3.90 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 0.00 113 A 7.62 4.05 1.52 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 0.00 0.00 114 Y 8.34 4.48 0.00 3.11 3.13 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 0.00 115 D 8.15 4.16 0.00 2.77 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 0.00 116 D 7.99 4.42 0.00 3.01 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 0.00 117 E 7.68 3.96 0.00 2.11 2.17 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 2.47 2.58 0.00 118 L 7.64 3.88 0.00 1.62 1.67 0.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.35 3.94 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 0.00 120 F 7.68 3.99 0.00 2.84 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 0.00 121 Y 7.83 4.27 0.00 2.92 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 0.00 122 G 7.51 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 0.00 123 I 7.21 4.08 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.01 0.31 0.00 0.00 124 L 8.38 4.09 0.00 1.56 1.49 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 3.81 0.00 2.04 2.09 0.00 3.80 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 1.99 1.99 0.00 126 E 7.61 4.52 0.00 1.97 1.87 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 2.16 2.25 0.00 127 I 7.53 4.18 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 1.05 0.00 0.00 128 I 6.80 3.95 1.72 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.97 0.00 0.00 129 G 8.46 3.86 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 0.00 0.00 0.00 130 D 8.55 4.49 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 C 8.15 4.32 0.00 3.18 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 0.00 132 C 8.05 4.83 0.00 3.04 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 *133 Y 7.98 4.39 0.00 2.34 2.30 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 0.00 134 E 8.09 4.23 0.00 2.02 2.06 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 2.43 2.37 0.00 135 E 8.13 4.16 0.00 2.14 2.27 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 2.47 2.39 0.00 136 Y 8.61 3.77 0.00 2.77 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 0.00 137 K 7.82 4.03 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 7.93 4.85 0.00 2.62 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 0.00 139 R 7.65 4.67 0.00 1.89 1.93 0.00 3.08 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 140 K 8.13 4.01 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.