NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9647 8.3549 109.7419 44.7889 0.0000 173.7259 2 S 4.7589 7.5111 115.1334 54.3289 66.5680 171.6808 3 P 4.5288 0.0000 0.0000 62.0221 32.8309 176.5605 4 I 4.0562 8.1882 113.9394 60.0905 38.3676 175.4531 5 P 4.4540 0.0000 0.0000 66.1632 30.7838 178.2442 6 H 4.5609 8.5710 115.0382 59.1202 28.6454 176.7271 7 H 4.6865 8.1455 116.8270 57.0139 28.9773 174.8419 8 D 4.6544 8.1941 121.0768 52.1808 40.3792 176.0311 9 E 3.0652 8.5264 128.6461 58.5420 28.4649 179.1621 10 K 3.8025 7.7615 118.4530 59.0311 32.3200 178.9315 11 T 4.1927 7.9739 109.2779 63.1295 69.1079 175.9081 12 W 4.5019 6.9729 116.5922 55.5608 29.6546 174.1367 13 N 5.0246 7.4042 117.8228 52.8496 37.4842 174.1853 14 V 4.3626 8.7351 119.2904 60.3205 32.9960 178.2828 15 G 3.7599 8.0305 112.2200 47.4633 0.0000 177.2208 16 S 4.5812 8.5862 113.8870 56.8076 61.1408 172.4502 17 S 4.7776 7.8070 117.6068 56.3553 65.7484 174.7797 18 N 4.7712 8.3223 122.3452 51.4202 40.2872 176.1346 19 R 3.8391 8.3710 119.2844 59.9282 29.9798 177.9002 20 N 4.3800 8.1725 115.5072 56.2258 38.5247 177.4116 21 K 3.9699 8.7556 119.9776 59.3501 32.2280 179.1512 22 A 4.0038 8.0988 121.0182 55.3885 18.4331 179.6135 23 E 3.9974 8.3923 116.9943 59.5036 29.2609 179.3648 24 N 4.3872 7.9658 115.9650 56.3254 38.6838 177.2062 25 L 4.1212 7.9888 119.5198 57.1601 42.0477 178.6453 26 L 4.3980 7.7016 117.1139 53.7771 41.8651 176.4933 27 R 4.0145 7.1227 119.6885 58.0779 30.1071 176.7030 28 G 3.9654 8.9476 113.3492 45.3841 0.0000 173.4849 29 K 4.2435 7.6261 118.9437 55.5497 33.0459 177.0228 30 R 4.2234 8.0894 116.9429 55.3776 30.4291 175.7457 31 D 4.6738 8.4710 118.8968 56.5312 41.3686 177.5796 32 G 4.0533 9.4522 111.6884 45.4171 0.0000 173.1550 33 T 5.5219 8.2379 117.8715 63.0652 69.8135 173.8146 34 F 5.5152 8.3917 119.5939 55.9496 42.0486 172.4175 35 L 4.9505 8.9777 118.4050 54.6633 44.4174 174.5786 36 V 5.1875 9.2317 119.4658 61.2976 34.7788 174.4760 37 R 5.3211 9.1759 122.8596 54.6226 33.5364 173.9731 38 E 4.3683 9.1032 119.7249 56.5661 29.9863 176.9692 39 S 4.8068 8.3145 118.0836 56.8511 63.5751 174.6546 40 S 4.1717 8.6893 118.5444 60.7408 63.2050 174.9484 41 K 4.2160 8.2007 121.8004 54.7251 30.2743 175.3826 42 Q 4.0025 8.2657 120.5472 57.7955 28.6594 178.6590 43 G 3.9214 8.9830 108.7862 45.2615 0.0000 172.4329 44 C 4.9948 7.7718 116.5891 58.1800 32.2598 172.4136 45 Y 5.0613 8.5388 116.8945 56.3793 41.3344 174.5722 46 A 5.2548 9.4930 121.1317 50.6186 23.2317 174.5165 47 C 5.2003 9.4894 121.1713 57.8058 34.1970 172.6630 48 S 5.3939 9.1344 122.5802 56.7355 65.3634 173.5828 49 V 5.0532 8.6426 123.4913 60.0402 35.2801 174.3048 50 V 4.3612 8.6678 123.9535 62.4939 32.9048 174.8781 51 V 4.4806 8.7034 127.9524 61.2735 34.5350 174.8321 52 D 4.1461 9.4575 129.0544 55.4771 39.9806 174.3569 53 G 3.9781 8.8089 103.5968 45.3299 0.0000 173.6877 54 E 4.7669 7.8173 118.8143 54.1197 33.4391 175.1987 55 V 4.3415 8.3819 123.2430 62.4672 32.3997 175.2324 56 K 4.6864 9.0202 127.3791 54.8729 35.4106 174.7231 57 H 5.4516 8.6831 119.1784 54.3167 31.6978 173.0576 58 C 4.9390 9.0500 120.0696 57.7940 31.9295 173.6514 59 V 4.3494 8.6177 122.9498 62.8553 32.5617 175.0097 60 I 4.5738 8.9728 128.3067 59.7654 39.2183 174.8720 61 N 4.9763 9.2187 125.4885 52.6300 40.2728 174.0437 62 K 4.6853 8.6717 123.1063 54.8955 34.4528 175.0831 63 T 4.6442 8.2313 116.4363 59.3286 71.7844 174.3778 64 A 3.9809 8.4866 123.2212 54.7370 18.3874 178.4773 65 T 4.1392 8.5837 104.6967 61.8150 69.8978 175.1763 66 G 3.8803 6.4342 109.1279 44.0323 0.0000 171.8205 67 Y 4.8928 8.6392 118.1070 57.2110 39.0834 175.1916 68 G 4.7381 7.9880 109.4860 46.1022 0.0000 174.3420 69 F 4.3784 8.6968 117.0574 58.8095 39.6003 176.3465 70 A 4.4790 7.6852 120.4920 51.2772 21.2582 175.4277 71 E 4.3217 8.9628 120.6394 56.3141 30.0917 175.3877 72 P 4.6628 0.0000 0.0000 63.4507 31.9807 175.5313 73 Y 4.7702 7.7007 113.6861 59.3536 39.0097 177.4785 74 N 4.9060 7.8745 119.3625 52.1784 37.0494 175.4769 75 L 4.4650 7.2975 115.2321 54.1973 43.8394 176.2319 76 Y 4.6724 7.5112 118.0746 56.3776 39.1675 176.7611 77 S 4.6265 8.9300 118.5371 59.8641 64.0070 174.2325 78 S 4.8300 7.8089 115.3652 56.0608 67.0335 174.6723 79 L 3.6557 8.0623 122.0381 57.4505 41.2262 179.5640 80 K 4.0882 8.1813 119.2658 59.7487 32.3425 178.4233 81 E 3.9632 8.2512 118.7747 59.2543 29.3751 179.0934 82 L 3.1866 7.6049 119.9507 57.9063 42.0817 179.2535 83 V 3.1823 7.5252 118.1171 65.9265 30.4839 178.0468 84 L 3.8516 8.0030 118.9959 57.7112 41.1967 179.1229 85 H 3.8358 7.7394 118.0305 59.0854 29.7982 176.1260 86 Y 4.5823 7.5040 117.4878 57.7523 37.5965 177.1446 87 Q 3.9725 7.6656 123.4046 57.6012 29.2315 175.9350 88 H 4.6773 7.0648 109.7150 55.1694 30.1289 174.1856 89 T 4.4095 7.0573 118.4845 61.2914 70.0174 173.8976 90 S 4.4912 8.4324 121.2427 58.1997 63.1376 174.5205 91 L 4.1898 8.4671 125.6360 55.9080 41.1842 179.7527 92 V 3.7997 7.8731 120.7565 64.5324 30.9815 178.0530 93 Q 3.9974 8.0134 116.8677 58.6179 28.4314 176.4567 94 H 4.6557 7.7015 116.6810 56.4759 30.2940 174.6691 95 N 4.4061 7.6272 115.0386 52.6889 41.8559 174.8006 96 D 4.4196 8.9258 126.4742 57.1595 41.0814 177.9465 97 S 4.2294 8.6650 114.6282 60.3636 63.5088 174.7097 98 L 4.3752 7.5335 122.4342 53.3111 38.9656 178.3597 99 N 4.8005 7.6842 120.3178 51.7196 37.5985 174.6860 100 V 4.6289 7.4474 121.0784 60.2979 35.5101 174.1378 101 T 4.4976 8.1815 111.7254 59.8102 71.2552 175.3162 102 L 3.8179 8.1321 122.5869 53.7783 39.8460 177.3125 103 A 3.9346 7.8232 123.1491 53.5003 20.3200 177.0741 104 Y 4.7716 8.3301 113.6105 55.3848 41.3197 173.8172 105 P 3.9769 0.0000 0.0000 62.2888 31.9853 178.2477 106 V 3.4200 7.8447 123.8508 64.4556 31.1960 176.7234 107 Y 4.7781 7.8113 115.1586 57.5553 38.0019 177.1211 108 A 4.2102 7.7794 127.6767 52.3483 16.2269 179.1128 *109 Q 4.1483 8.0434 119.2483 54.8149 28.8877 175.7544 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 1 G 8.35 3.96 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 0.00 0.00 0.00 2 S 7.51 4.76 0.00 3.92 3.77 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 3 P 0.00 4.53 0.00 2.08 1.94 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 4 I 8.19 4.06 1.98 0.00 0.00 0.70 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 0.79 0.95 0.00 0.00 5 P 0.00 4.45 0.00 2.39 2.45 0.00 3.88 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 2.19 2.18 0.00 6 H 8.57 4.56 0.00 3.12 3.45 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.15 4.69 0.00 3.22 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.19 4.65 0.00 2.72 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 9 E 8.53 3.07 0.00 1.84 1.65 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 1.65 1.47 0.00 10 K 7.76 3.80 0.00 1.66 1.73 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.43 7.81 11 T 7.97 4.19 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 1.29 0.00 0.00 12 W 6.97 4.50 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 13 N 7.40 5.02 0.00 1.71 2.36 0.00 0.00 7.10 7.27 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 14 V 8.74 4.36 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 0.81 0.00 0.00 1.06 0.00 0.00 15 G 8.03 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 0.00 0.00 0.00 0.00 16 S 8.59 4.58 0.00 3.89 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 17 S 7.81 4.78 0.00 3.87 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 18 N 8.32 4.77 0.00 2.99 2.97 0.00 0.00 5.86 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 19 R 8.37 3.84 0.00 1.82 1.94 0.00 3.12 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 20 N 8.17 4.38 0.00 2.81 2.86 0.00 0.00 7.07 7.01 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 21 K 8.76 3.97 0.00 2.11 1.88 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 22 A 8.10 4.00 1.46 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 23 E 8.39 4.00 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 2.41 2.67 0.00 24 N 7.97 4.39 0.00 2.90 2.89 0.00 0.00 7.07 7.91 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 25 L 7.99 4.12 0.00 1.69 1.58 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.70 4.40 0.00 1.77 1.68 0.97 0.68 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 27 R 7.12 4.01 0.00 2.06 1.87 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 28 G 8.95 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 29 K 7.63 4.24 0.00 1.86 1.73 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 30 R 8.09 4.22 0.00 1.94 1.96 0.00 2.67 0.00 0.00 2.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 31 D 8.47 4.67 0.00 2.72 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 32 G 9.45 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 0.00 0.00 0.00 33 T 8.24 5.52 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 1.27 0.00 0.00 34 F 8.39 5.52 0.00 3.16 3.09 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 0.00 0.00 0.00 35 L 8.98 4.95 0.00 1.88 1.61 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 V 9.23 5.19 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 1.20 0.00 0.00 1.09 0.00 0.00 37 R 9.18 5.32 0.00 2.18 2.06 0.00 3.07 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 38 E 9.10 4.37 0.00 1.87 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 2.21 2.48 0.00 39 S 8.31 4.81 0.00 3.83 3.87 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 40 S 8.69 4.17 0.00 4.01 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 41 K 8.20 4.22 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.38 7.81 42 Q 8.27 4.00 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 43 G 8.98 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 0.00 0.00 0.00 44 C 7.77 4.99 0.00 2.98 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 45 Y 8.54 5.06 0.00 3.03 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 46 A 9.49 5.25 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 47 C 9.49 5.20 0.00 3.11 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 48 S 9.13 5.39 0.00 3.86 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 49 V 8.64 5.05 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 0.83 0.00 0.00 0.98 0.00 0.00 50 V 8.67 4.36 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 0.99 0.00 0.00 0.99 0.00 0.00 51 V 8.70 4.48 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 0.89 0.00 0.00 0.89 0.00 0.00 52 D 9.46 4.15 0.00 2.76 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 53 G 8.81 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 0.00 0.00 0.00 54 E 7.82 4.77 0.00 2.00 1.79 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 2.20 2.39 0.00 55 V 8.38 4.34 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 0.66 0.00 0.00 0.92 0.00 0.00 56 K 9.02 4.69 0.00 1.60 1.60 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.48 7.81 57 H 8.68 5.45 0.00 3.02 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 9.05 4.94 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 4.35 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 0.85 0.00 0.00 0.99 0.00 0.00 60 I 8.97 4.57 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.96 0.92 0.00 0.00 61 N 9.22 4.98 0.00 2.69 2.77 0.00 0.00 6.00 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 62 K 8.67 4.69 0.00 1.91 1.69 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 0.37 7.81 63 T 8.23 4.64 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 1.19 0.00 0.00 64 A 8.49 3.98 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 65 T 8.58 4.14 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 1.16 0.00 0.00 66 G 6.43 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 67 Y 8.64 4.89 0.00 3.04 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 68 G 7.99 4.74 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 0.00 0.00 0.00 69 F 8.70 4.38 0.00 2.84 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 70 A 7.69 4.48 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 71 E 8.96 4.32 0.00 1.95 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 0.00 2.32 2.23 0.00 72 P 0.00 4.66 0.00 1.93 1.91 0.00 2.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.64 0.00 73 Y 7.70 4.77 0.00 3.29 3.17 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 74 N 7.87 4.91 0.00 2.73 2.96 0.00 0.00 6.83 6.74 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 75 L 7.30 4.46 0.00 0.44 1.20 0.84 0.82 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 76 Y 7.51 4.67 0.00 3.41 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 77 S 8.93 4.63 0.00 4.05 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 78 S 7.81 4.83 0.00 4.06 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 79 L 8.06 3.66 0.00 1.66 1.72 0.07 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.18 4.09 0.00 2.27 1.94 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.85 7.81 81 E 8.25 3.96 0.00 2.33 2.12 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 2.41 2.40 0.00 82 L 7.60 3.19 0.00 1.58 1.60 0.64 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.53 3.18 1.54 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 0.33 0.00 0.00 -0.03 0.00 0.00 84 L 8.00 3.85 0.00 1.75 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.74 3.84 0.00 2.86 2.70 0.00 5.77 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 86 Y 7.50 4.58 0.00 2.85 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 87 Q 7.67 3.97 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.21 1.79 0.00 88 H 7.06 4.68 0.00 3.13 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.06 4.41 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 1.09 0.00 0.00 90 S 8.43 4.49 0.00 3.79 3.72 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 L 8.47 4.19 0.00 1.71 1.36 0.54 0.04 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 92 V 7.87 3.80 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 0.95 0.00 0.00 0.90 0.00 0.00 93 Q 8.01 4.00 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 94 H 7.70 4.66 0.00 3.11 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.63 4.41 0.00 2.56 2.54 0.00 0.00 7.03 8.90 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 96 D 8.93 4.42 0.00 2.67 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 97 S 8.66 4.23 0.00 3.88 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 98 L 7.53 4.38 0.00 1.51 1.48 0.72 0.76 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 99 N 7.68 4.80 0.00 2.68 2.72 0.00 0.00 7.08 7.71 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 0.00 100 V 7.45 4.63 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 0.59 0.00 0.00 0.96 0.00 0.00 101 T 8.18 4.50 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 1.15 0.00 0.00 102 L 8.13 3.82 0.00 1.10 0.13 0.47 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.82 3.93 0.48 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 0.00 0.00 0.00 104 Y 8.33 4.77 0.00 3.05 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 0.00 105 P 0.00 3.98 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 106 V 7.84 3.42 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 -0.01 0.00 0.00 0.59 0.00 0.00 107 Y 7.81 4.78 0.00 3.07 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 0.00 108 A 7.78 4.21 1.38 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 0.00 0.00 *109 Q 8.04 4.15 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.