NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3228 8.3444 119.6870 55.7389 30.1828 174.0268 3 R 4.4559 8.3927 120.9594 54.1362 32.8539 169.4155 4 V 4.5971 9.0149 118.2780 59.8614 36.6271 174.2627 5 T 4.6393 8.3729 118.1571 61.7214 70.9342 173.5909 6 I 4.7260 8.1194 117.7295 59.0542 40.9394 174.4205 7 T 4.6348 8.3053 110.0759 59.5741 70.8352 173.2818 8 L 4.8322 8.2284 125.1009 52.4317 43.9221 176.4008 9 D 4.4032 8.6680 120.6929 54.0370 40.5934 177.2385 10 D 4.4043 8.8377 122.9373 58.0350 40.7407 178.6741 11 D 4.3421 8.1211 117.7423 57.1400 41.1662 177.5607 12 L 3.9093 8.3012 120.4166 58.3712 42.1880 178.7135 13 L 3.9411 7.8383 121.8867 59.1908 41.8850 179.5014 14 E 4.0520 7.9453 117.9498 61.5451 29.1630 181.1382 15 T 4.1076 7.6338 116.7474 66.1768 68.3612 176.7665 16 L 3.9442 8.0803 122.5953 58.3711 42.3636 178.8275 17 D 4.3423 8.6783 119.2782 56.8958 40.5321 178.9348 18 S 4.0898 8.0035 115.1999 61.3678 62.8764 176.1251 19 L 3.9866 7.4977 123.4316 57.7698 41.5725 178.4193 20 S 4.1254 7.8922 111.4755 61.9919 62.2806 176.1918 21 Q 4.3951 7.7657 119.9315 58.2861 28.7532 177.8667 22 R 4.1289 8.3833 119.1188 58.6197 31.4497 177.0593 23 R 4.5626 8.2444 116.1148 53.6957 30.7688 175.7121 24 G 3.5435 8.5747 112.2239 44.9026 0.0000 171.0549 25 Y 4.2467 8.3503 126.6917 58.2295 38.1843 175.9767 26 N 4.8073 8.5903 125.2909 53.6172 39.5601 174.9334 27 N 5.0422 7.9696 116.1077 50.9317 41.9902 173.1070 28 R 3.7588 8.6032 127.9701 59.7008 30.3318 177.9574 29 S 4.0897 8.1428 114.4109 62.0326 62.8329 176.5023 30 E 3.9417 9.3522 120.6438 60.2281 29.3074 179.4756 31 A 2.5800 7.4257 119.0197 54.6746 18.5315 179.2500 32 I 3.4830 7.8413 117.2421 64.6199 37.3277 178.4879 33 R 3.8746 8.0461 118.4828 59.8635 30.1265 178.5294 34 D 4.4038 8.5410 118.4418 57.8624 40.9846 179.3281 35 I 3.8232 7.6791 119.9502 63.9062 36.9532 178.3263 36 L 3.9784 8.3751 121.8959 58.2213 42.1122 179.2232 37 R 3.9571 8.7776 118.3064 58.8585 29.9413 179.2701 38 S 4.1031 8.0341 114.9416 61.6934 62.8782 176.0167 39 A 3.9587 7.8127 122.7951 55.4520 17.9537 179.5497 40 L 3.9922 8.1881 116.4653 57.0251 41.7888 179.2431 41 A 4.2973 7.4583 119.7938 54.4339 19.3707 178.7819 42 Q 4.1468 8.4787 118.4458 58.5907 30.1537 176.1781 43 E 4.4844 7.8764 121.6649 52.8972 28.0214 174.2693 44 A 4.7420 7.4370 133.0560 53.0678 20.8895 178.4695 45 T 3.9474 7.6926 112.2563 66.8975 69.1827 175.6027 46 Q 4.3343 7.6525 122.9602 54.2263 27.7641 174.3221 47 Q 4.5634 7.8874 121.2824 56.1880 33.6103 174.3123 *48 H 4.1399 8.7612 118.7796 57.7813 26.8561 176.6774 49 G 3.8700 8.3699 109.9681 47.1930 0.0000 171.9787 50 T 4.2224 7.5900 123.6612 63.9152 70.2747 175.6372 51 Q 4.6132 8.6279 122.1978 53.4920 29.8429 176.8187 52 G 4.2813 7.2467 103.6358 46.8909 0.0000 171.3118 53 F 5.3471 7.8566 117.5858 56.2063 42.3140 174.8809 54 A 5.0167 9.1600 120.7588 50.9431 23.0859 175.8517 55 V 4.3271 8.9827 121.1367 60.9969 33.4389 173.9609 56 L 4.8919 8.9729 131.1327 54.1264 42.7792 175.2712 57 S 5.1056 8.6620 122.2306 56.9304 66.3146 172.5676 58 Y 4.9650 7.3803 118.1147 57.0322 41.8072 172.3439 59 V 5.7875 8.1998 118.3502 60.7689 35.6535 173.2132 60 Y 5.3171 8.0624 123.2539 58.1730 41.0289 172.6945 61 E 5.7538 8.8425 117.4860 54.4486 31.6159 175.4521 62 H 4.4394 9.1328 123.0165 57.5115 29.0386 177.1992 63 E 3.7647 8.2795 117.5558 59.3010 29.6781 183.0132 64 K 4.1409 7.7351 125.3939 54.8638 30.9371 180.3080 65 R 4.0208 8.7698 127.1464 58.3525 29.3685 174.8697 66 D 5.0238 8.1832 115.2692 54.0824 40.9790 182.5962 67 L 4.5688 8.6345 121.5555 56.3230 43.3368 181.6181 68 A 4.4115 7.4432 121.6101 55.4249 18.6888 177.5538 69 S 4.4033 8.1419 110.8110 58.7809 62.9579 176.8260 70 R 4.3345 7.8235 122.7292 59.9473 29.7163 181.6668 71 I 3.7062 7.0990 119.8196 64.0914 37.1130 178.6405 72 V 3.6152 7.8383 119.4801 65.1899 30.6712 178.3003 73 S 4.1240 7.9498 113.9702 61.5069 63.0053 176.2079 74 T 3.9342 7.5210 118.0982 66.8738 68.2351 176.4704 75 Q 3.8487 8.1068 119.8054 59.4528 28.5849 178.8569 76 H 4.4262 8.5822 118.3660 59.3529 28.6969 177.8445 *77 H 4.4101 8.2102 120.7185 58.6606 28.3846 180.6860 78 H 5.3443 8.2838 118.5386 55.3065 29.2262 175.3643 79 H 4.3993 8.6067 115.3241 57.5787 28.5234 175.5691 80 D 4.4359 7.8532 118.5904 54.3161 40.0443 176.7489 81 L 4.6527 8.4777 118.9002 53.7513 42.9437 175.6007 82 S 4.6589 7.8488 113.7159 56.9067 63.2462 172.9105 83 V 4.0832 8.2172 128.7020 64.2896 31.5469 175.7630 84 A 4.7206 7.5085 118.8167 51.4443 23.4859 174.4120 85 T 4.6400 8.1517 115.2496 62.4295 71.4340 174.1172 86 L 4.3097 8.6937 129.8670 55.2082 43.6123 175.2302 87 H 5.2994 8.5763 123.6683 54.7586 33.0152 172.3521 88 V 4.3649 9.0342 125.1051 61.5240 34.9019 173.9648 89 H 5.3824 8.4554 122.4076 53.4789 27.5623 173.7273 90 I 3.7973 8.1523 122.9676 63.7131 37.4525 175.5186 91 N 4.9433 7.8848 114.3566 51.8067 40.3098 174.9824 92 H 3.9437 8.5802 115.3150 58.0191 28.9816 175.5757 93 D 5.0241 8.5394 114.6888 52.7510 41.5178 174.6908 94 D 5.3606 9.0036 120.7288 53.1476 43.4547 175.1185 95 C 4.9785 8.8449 120.1788 57.6668 32.0623 172.7023 96 L 4.8518 8.4384 125.3636 53.5098 43.8987 174.7119 97 E 5.1047 8.8646 126.0570 54.4904 33.1484 175.3038 98 I 4.8172 8.7750 123.4532 59.3257 41.0700 174.1679 99 A 4.9216 8.9783 128.9936 50.0144 21.5207 175.1518 100 V 4.2697 8.4866 123.6657 62.8533 32.8874 175.1126 101 L 5.1669 9.4230 127.9632 52.8826 45.5872 175.3680 102 K 4.4479 9.2525 121.7546 53.5196 35.6895 174.7066 103 G 4.1875 7.6152 114.8912 45.5930 0.0000 169.9268 104 D 4.8732 8.0640 127.7784 53.8780 40.9545 177.0989 *106 G 3.9219 8.3246 101.6928 45.4268 0.0000 173.8943 107 D 4.4942 7.7735 119.7276 57.2185 40.8260 179.3063 108 V 3.7076 7.9547 118.3463 65.8140 31.4237 177.6683 109 Q 4.0174 8.1004 116.9338 60.3533 28.8377 178.0806 110 H 3.9382 9.1733 117.9117 59.0752 29.5892 176.9421 111 F 3.7865 9.4550 122.0479 61.3370 39.7865 177.5033 112 A 4.2693 9.2786 121.1290 55.7957 18.1531 178.8818 113 D 4.3973 8.4697 116.6115 57.9506 40.5272 179.1081 114 D 4.3120 7.9170 118.4794 57.8412 40.6779 179.6186 115 V 3.4481 7.3970 116.8796 65.7500 31.5538 177.8952 116 I 3.7750 8.1236 119.1983 64.0620 36.9836 177.2356 117 A 4.0186 9.2123 124.2364 52.6276 19.5736 180.9333 118 Q 3.4450 7.7737 120.3943 57.0568 24.3751 177.2211 119 R 3.8555 6.7550 119.2477 55.1168 29.9118 176.6603 120 G 3.9895 8.9790 110.2848 44.4392 0.0000 173.3190 121 V 4.4130 7.0206 118.4822 61.5287 30.7394 175.4690 122 R 4.3724 8.4851 126.3357 55.4301 31.5112 176.7930 123 H 3.9940 8.7810 112.9872 56.1336 26.8628 175.3521 124 G 4.0467 7.8404 107.7850 46.6846 0.0000 172.5871 125 H 5.0330 9.6756 123.9677 54.4520 34.0091 171.6717 126 L 5.1611 7.9489 124.5384 53.3314 45.2105 174.9146 127 Q 4.7040 8.6749 127.2059 54.5867 31.4857 173.8326 128 C 4.9187 8.7389 123.6651 58.1086 30.2605 173.8941 129 L 4.9483 9.0309 121.3401 51.5984 41.1618 173.9286 130 P 4.5086 0.0000 0.0000 63.3777 32.5907 178.6354 131 K 4.2352 8.3778 120.6674 54.9296 31.6991 177.6861 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 2 Q 8.34 4.32 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 3 R 8.39 4.46 0.00 1.79 1.75 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 4 V 9.01 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 5 T 8.37 4.64 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 1.20 0.00 0.00 6 I 8.12 4.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.90 0.00 0.00 7 T 8.31 4.63 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 1.21 0.00 0.00 8 L 8.23 4.83 0.00 1.68 1.61 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.67 4.40 0.00 2.88 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 10 D 8.84 4.40 0.00 2.70 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 11 D 8.12 4.34 0.00 2.73 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 12 L 8.30 3.91 0.00 2.07 1.77 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.84 3.94 0.00 1.76 1.66 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.95 4.05 0.00 1.97 1.95 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 2.24 2.23 0.00 15 T 7.63 4.11 4.35 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 1.21 0.00 0.00 16 L 8.08 3.94 0.00 1.71 1.80 0.83 1.49 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 17 D 8.68 4.34 0.00 2.84 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 18 S 8.00 4.09 0.00 4.07 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 19 L 7.50 3.99 0.00 1.81 1.89 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.89 4.13 0.00 3.84 4.11 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 21 Q 7.77 4.40 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 22 R 8.38 4.13 0.00 1.82 2.07 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 23 R 8.24 4.56 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 24 G 8.57 3.54 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 0.00 0.00 0.00 25 Y 8.35 4.25 0.00 2.94 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 26 N 8.59 4.81 0.00 2.78 2.84 0.00 0.00 6.42 6.92 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 27 N 7.97 5.04 0.00 2.74 2.72 0.00 0.00 6.70 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 28 R 8.60 3.76 0.00 1.89 1.88 0.00 3.25 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 29 S 8.14 4.09 0.00 4.10 3.93 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 30 E 9.35 3.94 0.00 2.04 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 0.00 2.39 2.57 0.00 31 A 7.43 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.84 3.48 1.98 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 1.46 0.58 0.88 0.00 0.00 33 R 8.05 3.87 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 34 D 8.54 4.40 0.00 2.96 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 35 I 7.68 3.82 1.97 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 1.38 1.10 0.90 0.00 0.00 36 L 8.38 3.98 0.00 2.00 1.69 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.78 3.96 0.00 1.87 1.97 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 38 S 8.03 4.10 0.00 4.07 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 39 A 7.81 3.96 1.40 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 40 L 8.19 3.99 0.00 1.62 1.77 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.46 4.30 1.43 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 0.00 0.00 42 Q 8.48 4.15 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 43 E 7.88 4.48 0.00 1.98 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 2.31 2.40 0.00 44 A 7.44 4.74 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 45 T 7.69 3.95 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 46 Q 7.65 4.33 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 47 Q 7.89 4.56 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 *48 H 8.76 4.14 0.00 2.94 2.86 0.00 7.24 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.37 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 0.00 0.00 0.00 50 T 7.59 4.22 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 1.22 0.00 0.00 51 Q 8.63 4.61 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.02 0.00 0.00 0.00 0.00 0.00 2.32 1.92 0.00 52 G 7.25 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 0.00 0.00 0.00 0.00 53 F 7.86 5.35 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.16 5.02 1.19 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 0.00 0.00 55 V 8.98 4.33 2.10 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 0.93 0.00 0.00 0.95 0.00 0.00 56 L 8.97 4.89 0.00 1.86 1.76 1.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.66 5.11 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 58 Y 7.38 4.97 0.00 3.15 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 59 V 8.20 5.79 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 0.99 0.00 0.00 60 Y 8.06 5.32 0.00 3.12 3.02 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 61 E 8.84 5.75 0.00 1.66 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 2.22 1.68 0.00 62 H 9.13 4.44 0.00 3.22 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.28 3.76 0.00 2.01 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 2.23 1.89 0.00 64 K 7.74 4.14 0.00 1.62 1.78 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.26 7.81 65 R 8.77 4.02 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 66 D 8.18 5.02 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 67 L 8.63 4.57 0.00 1.47 1.63 0.92 1.11 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 68 A 7.44 4.41 1.45 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 0.00 0.00 69 S 8.14 4.40 0.00 3.88 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 70 R 7.82 4.33 0.00 1.89 1.90 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 71 I 7.10 3.71 1.68 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.21 0.80 0.00 0.00 72 V 7.84 3.62 2.13 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 1.00 0.00 0.00 0.99 0.00 0.00 73 S 7.95 4.12 0.00 3.99 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 74 T 7.52 3.93 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 0.97 0.00 0.00 75 Q 8.11 3.85 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 76 H 8.58 4.43 0.00 3.33 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 H 8.21 4.41 0.00 3.01 2.98 0.00 7.15 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.28 5.34 0.00 3.60 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.61 4.40 0.00 3.35 3.67 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.85 4.44 0.00 2.71 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 81 L 8.48 4.65 0.00 1.80 1.53 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.85 4.66 0.00 3.93 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 83 V 8.22 4.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 84 A 7.51 4.72 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 85 T 8.15 4.64 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 1.37 0.00 0.00 86 L 8.69 4.31 0.00 1.79 1.50 0.91 0.79 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 87 H 8.58 5.30 0.00 3.18 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.03 4.36 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 0.90 0.00 0.00 0.89 0.00 0.00 89 H 8.46 5.38 0.00 3.04 3.13 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.15 3.80 1.85 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 1.44 0.31 0.90 0.00 0.00 91 N 7.88 4.94 0.00 2.97 2.89 0.00 0.00 7.07 7.78 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 92 H 8.58 3.94 0.00 3.19 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.54 5.02 0.00 2.59 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 94 D 9.00 5.36 0.00 2.79 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 95 C 8.84 4.98 0.00 1.65 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 0.00 0.00 0.00 96 L 8.44 4.85 0.00 1.71 1.44 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.86 5.10 0.00 2.11 1.42 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 2.46 2.35 0.00 98 I 8.77 4.82 1.81 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 1.04 0.59 0.86 0.00 0.00 99 A 8.98 4.92 1.29 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 0.00 0.00 100 V 8.49 4.27 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 1.12 0.00 0.00 0.94 0.00 0.00 101 L 9.42 5.17 0.00 1.33 1.28 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.25 4.45 0.00 0.88 1.17 0.00 0.93 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.87 0.21 7.81 103 G 7.62 4.19 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 0.00 0.00 0.00 104 D 8.06 4.87 0.00 2.66 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 *106 G 8.32 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 0.00 107 D 7.77 4.49 0.00 2.85 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 0.00 108 V 7.95 3.71 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 0.94 0.00 0.00 0.89 0.00 0.00 109 Q 8.10 4.02 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 110 H 9.17 3.94 0.00 3.30 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.46 3.79 0.00 3.01 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 0.00 112 A 9.28 4.27 1.49 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 0.00 113 D 8.47 4.40 0.00 2.83 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 0.00 114 D 7.92 4.31 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.40 3.45 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 0.46 0.00 0.00 0.55 0.00 0.00 116 I 8.12 3.77 1.91 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 1.50 1.00 0.92 0.00 0.00 117 A 9.21 4.02 1.24 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 0.00 118 Q 7.77 3.45 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 119 R 6.75 3.86 0.00 1.85 1.70 0.00 3.21 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 1.54 1.26 0.00 120 G 8.98 3.99 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 0.00 0.00 0.00 121 V 7.02 4.41 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 0.66 0.00 0.00 0.80 0.00 0.00 122 R 8.49 4.37 0.00 2.07 1.75 0.00 3.41 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 123 H 8.78 3.99 0.00 3.37 3.43 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.84 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 0.00 125 H 9.68 5.03 0.00 3.17 3.13 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.95 5.16 0.00 1.66 1.44 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.67 4.70 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 128 C 8.74 4.92 0.00 2.90 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 0.00 129 L 9.03 4.95 0.00 1.68 1.56 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.51 0.00 2.09 2.12 0.00 3.87 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 2.02 2.19 0.00 131 K 8.38 4.24 0.00 1.82 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.