NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9844 8.2827 118.2300 52.3327 38.9937 174.7350 3 L 3.6045 8.6578 122.8077 57.0047 42.1442 178.3153 4 T 3.8440 8.0167 109.5210 64.5844 68.8936 175.4511 5 E 3.8919 8.5458 121.7485 59.1512 29.9292 178.4812 6 L 4.1214 7.8174 118.9019 57.8218 41.4571 179.6934 7 K 3.9820 8.2293 117.6598 58.9057 31.9667 178.0469 8 N 4.7546 7.6123 114.0375 52.4009 39.0407 174.5945 9 T 4.5268 7.3363 118.2896 61.1814 70.3330 173.7034 10 P 4.3699 0.0000 0.0000 62.5515 33.2564 177.7263 11 V 3.6130 8.4295 120.8028 66.3329 31.5435 178.6447 12 S 4.1297 8.0654 113.3744 61.5415 62.7250 176.2265 13 E 4.0284 8.0996 121.6960 59.0588 29.2324 179.0125 14 L 4.0148 7.8984 119.2301 57.6348 41.5557 179.5151 15 I 3.7051 8.1034 120.1998 64.6260 37.0498 178.5093 16 T 3.8352 7.7943 116.3068 66.6563 68.1230 176.2559 17 L 4.0494 7.9014 120.8799 58.2645 42.4149 179.0400 18 G 3.7374 8.4337 105.8078 47.7795 0.0000 175.5398 19 E 4.3818 8.1377 121.6815 58.4102 29.8681 180.6523 20 N 4.7356 8.1355 117.5185 52.5878 38.1698 176.0300 *22 G 3.8681 7.8310 105.7254 45.0853 0.0000 173.0656 23 L 4.7092 7.6994 119.3472 52.9033 43.6835 175.3379 24 E 4.6993 7.9632 118.8965 55.1265 33.5716 174.4969 25 N 4.2511 8.7351 113.3589 54.5232 36.2029 176.4306 26 L 4.1196 8.0134 118.6395 57.6349 42.2933 179.2939 27 A 3.9761 8.2293 120.5555 55.3198 18.4177 178.0714 28 R 4.1826 7.1246 111.9324 56.2743 29.6495 177.2281 *30 R 4.1205 7.6651 115.9635 56.5293 32.8504 175.5853 31 K 3.8708 8.5603 122.1232 60.0800 32.1153 179.0698 32 Q 4.1021 8.1329 117.0601 59.5155 28.4186 178.1754 33 D 4.4260 7.9706 120.2732 56.8712 40.9564 178.6402 34 I 3.7681 7.8234 120.5509 64.4664 37.1672 178.4265 35 I 3.7552 8.1013 120.8336 64.3911 36.8805 178.4359 36 F 4.2214 8.5882 118.3850 60.6336 38.8227 177.4857 37 A 4.1130 8.2813 120.2692 55.3184 18.1062 179.7787 38 I 3.6987 8.0048 118.1791 64.6309 37.1721 178.7083 39 L 4.0117 8.0946 119.8164 57.6146 41.4233 179.5505 40 K 3.9840 8.4855 119.7233 59.5404 31.9558 178.6686 41 Q 3.9816 8.0738 118.6923 59.3812 29.2904 177.3584 42 H 4.3005 8.6021 119.2730 59.3487 29.8750 177.0782 43 A 4.3881 8.1949 124.0091 54.6726 17.9852 179.7541 44 K 3.9417 8.0402 115.8822 59.1952 32.1466 178.7540 45 S 4.4976 7.7270 113.3710 58.4432 62.9525 174.9797 46 G 3.8999 8.1580 110.6023 45.3904 0.0000 173.4407 47 E 4.4457 7.5280 118.8545 54.6684 30.9464 175.5931 48 D 4.4460 8.3616 122.0332 54.1852 41.7789 175.8300 49 I 4.6505 7.5837 114.5556 59.1789 41.1282 174.0864 50 F 5.3566 8.7601 122.0043 56.1638 43.2828 173.8132 51 G 4.6229 9.0096 106.4633 46.0989 0.0000 171.5584 52 D 4.9912 7.6563 118.2414 51.7507 41.9384 174.3946 53 G 3.9363 7.8829 106.8187 46.5864 0.0000 171.1682 54 V 4.6198 8.1241 120.3286 61.3474 33.0153 174.9834 55 L 4.7892 9.1018 130.8566 54.8166 43.7839 175.0715 56 E 4.9054 9.0128 126.0144 54.6099 32.7722 174.1199 57 I 4.4614 8.4743 128.8275 60.5489 38.3316 176.4791 58 L 4.3421 8.3644 127.9263 53.1808 43.4027 177.4923 59 Q 3.8937 8.6084 117.8784 59.7432 28.3761 178.8664 60 D 4.3726 7.7248 114.9141 55.8288 40.8978 177.5276 61 G 3.9488 7.8616 107.3123 44.5644 0.0000 173.3904 62 F 4.7270 7.3523 114.7134 55.5715 41.1955 174.3913 63 G 4.4507 8.7535 105.5080 45.0366 0.0000 171.1791 64 F 5.5058 8.6505 115.8271 55.9664 44.0674 173.9694 65 L 5.0818 9.1734 122.6692 53.5601 43.3911 175.9689 66 R 4.9694 8.8070 122.7364 53.8539 34.1206 175.8263 67 S 4.3371 8.6277 116.7973 58.7146 63.7544 175.8044 68 A 3.9150 8.5934 126.6603 55.1684 18.3128 179.0496 69 D 4.6702 7.9140 113.1375 54.6695 40.1487 177.3454 70 S 4.1947 8.0902 115.1520 59.1641 63.3831 175.0409 71 S 3.8615 8.4385 114.3558 59.8602 60.8240 172.2564 72 Y 3.7264 7.7212 114.5551 58.1663 35.5514 168.4641 73 L 4.3562 7.7841 121.8751 54.1701 42.8026 176.7021 74 A 4.3438 8.4734 128.7628 52.3988 19.2698 176.6037 75 G 4.3055 9.0715 108.9805 43.3454 0.0000 172.4594 76 P 4.4240 0.0000 0.0000 65.3651 31.3442 176.8795 77 D 5.2002 8.1579 116.3078 53.2438 39.6099 175.8545 78 D 4.7071 8.0504 119.9523 55.2367 41.6781 175.8556 79 I 4.7563 8.4895 123.6938 60.0510 38.8780 174.6197 80 Y 4.2277 9.2572 129.6802 57.4488 40.1679 174.4312 81 V 4.2320 7.5335 126.5726 60.6828 34.4177 175.3671 82 S 4.5390 8.3391 121.7996 56.4879 64.1523 173.5191 83 P 4.2987 0.0000 0.0000 65.7155 30.8998 179.2079 84 S 4.1592 8.0023 112.8588 61.4813 63.1899 176.4692 85 Q 4.0183 8.0702 121.7297 58.6343 28.3937 178.6180 86 I 3.7702 7.7751 120.9964 64.4364 37.2462 178.7725 87 R 3.8604 8.0574 118.9219 59.1165 29.6933 178.8012 88 R 3.6873 7.9099 117.7886 58.6430 29.9071 177.1865 89 F 4.7694 7.4953 113.5406 56.2824 39.9227 175.2832 90 N 4.1308 7.7645 117.2146 54.6157 37.4285 174.2952 91 L 4.4058 8.4019 118.0711 54.7441 43.1357 177.3554 92 R 4.6720 8.9268 121.0873 54.2344 33.0946 175.0640 93 T 4.2085 8.3482 120.4256 65.4265 68.8645 174.7810 94 G 4.3318 9.5314 114.8211 44.7141 0.0000 173.6080 95 D 4.6769 8.1577 120.2704 54.5927 42.4366 175.3873 96 T 4.7825 8.4917 118.9567 62.2888 70.3620 173.9591 97 I 5.0801 8.7707 127.0919 59.5404 41.2184 174.7076 98 S 4.9465 8.6531 118.4065 56.6443 66.9823 174.2895 99 G 4.6453 7.8532 107.1842 45.7417 0.0000 171.5278 100 K 4.5887 7.9088 118.5003 56.0527 33.3265 176.4927 101 I 5.3033 8.5258 117.3079 59.0784 41.1435 174.5568 102 R 4.9403 9.0009 118.6152 53.5607 32.7575 173.1755 103 P 3.7411 0.0000 0.0000 61.4163 32.3704 174.2148 104 P 4.2990 0.0000 0.0000 63.0885 32.2752 176.3804 105 K 4.2738 9.4018 122.1250 54.8310 33.8080 175.6504 106 E 4.1171 8.4375 119.4852 59.1447 29.2041 177.1869 107 G 4.0077 8.9039 113.0369 45.4033 0.0000 173.4427 108 E 4.1393 7.8785 118.7234 56.2767 30.1483 176.2837 109 R 4.1593 8.4014 120.3016 57.1094 31.8214 175.5930 110 Y 5.2407 7.4640 112.6408 55.9507 40.9961 175.9536 111 F 4.3271 9.2225 119.5595 57.5653 40.5378 174.3038 112 A 5.3875 8.8223 123.0113 49.7801 22.4821 175.2763 113 L 4.2059 8.7473 123.6002 55.5195 42.0792 176.3092 114 L 4.4601 9.4443 129.7733 56.5924 43.4177 176.7321 115 K 4.6326 7.6478 119.1278 54.6474 35.8399 175.0063 116 V 3.9044 8.5718 127.7191 62.8794 31.3005 174.8257 117 N 4.7171 9.0178 126.3635 54.9267 40.0271 175.8166 118 E 4.8288 7.6831 117.3307 54.5398 34.7375 175.0917 119 V 4.4109 8.4819 122.8516 61.9753 33.8178 175.4470 120 N 3.4227 9.3247 126.6158 54.5741 36.3438 174.6251 121 F 4.4525 7.3795 109.8699 57.3556 37.2373 174.6335 122 D 5.0304 7.6487 119.7858 51.3554 44.3557 175.0431 123 K 4.2430 8.3229 121.1316 56.3340 32.9016 176.2738 124 P 4.2963 0.0000 0.0000 63.6110 31.2761 176.2115 125 E 4.3404 8.8447 125.1662 56.5430 29.7983 175.7960 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 N 8.28 4.98 0.00 3.11 3.12 0.00 0.00 5.75 5.79 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 3 L 8.66 3.60 0.00 1.52 1.60 0.69 0.34 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 4 T 8.02 3.84 4.23 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 1.35 0.00 0.00 5 E 8.55 3.89 0.00 2.15 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 0.00 2.31 2.34 0.00 6 L 7.82 4.12 0.00 1.88 1.68 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.23 3.98 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.58 7.81 8 N 7.61 4.75 0.00 2.85 2.83 0.00 0.00 6.95 6.88 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 9 T 7.34 4.53 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 1.21 0.00 0.00 10 P 0.00 4.37 0.00 2.15 1.98 0.00 3.61 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 2.26 2.14 0.00 11 V 8.43 3.61 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 1.19 0.00 0.00 0.94 0.00 0.00 12 S 8.07 4.13 0.00 4.09 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 13 E 8.10 4.03 0.00 2.22 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 2.40 2.40 0.00 14 L 7.90 4.01 0.00 1.90 1.73 0.94 0.84 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 15 I 8.10 3.71 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.92 0.00 0.00 16 T 7.79 3.84 4.40 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 1.22 0.00 0.00 17 L 7.90 4.05 0.00 1.61 1.95 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.43 3.74 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 19 E 8.14 4.38 0.00 2.10 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 2.36 2.51 0.00 20 N 8.14 4.74 0.00 2.85 2.86 0.00 0.00 7.01 7.26 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 *22 G 7.83 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 0.00 0.00 0.00 23 L 7.70 4.71 0.00 1.87 1.59 1.01 0.82 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 24 E 7.96 4.70 0.00 1.90 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 2.21 2.31 0.00 25 N 8.74 4.25 0.00 2.82 2.86 0.00 0.00 6.89 7.85 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 26 L 8.01 4.12 0.00 1.72 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.23 3.98 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 28 R 7.12 4.18 0.00 1.79 2.02 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 *30 R 7.67 4.12 0.00 1.89 1.93 0.00 3.14 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 31 K 8.56 3.87 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.55 7.81 32 Q 8.13 4.10 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 33 D 7.97 4.43 0.00 2.88 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 34 I 7.82 3.77 2.10 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 1.55 0.86 0.94 0.00 0.00 35 I 8.10 3.76 2.12 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 1.54 0.95 0.86 0.00 0.00 36 F 8.59 4.22 0.00 3.45 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 37 A 8.28 4.11 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 38 I 8.00 3.70 2.03 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 1.55 0.83 0.91 0.00 0.00 39 L 8.09 4.01 0.00 1.81 1.78 0.20 0.70 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 40 K 8.49 3.98 0.00 1.98 2.09 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.46 7.81 41 Q 8.07 3.98 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 42 H 8.60 4.30 0.00 3.42 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.19 4.39 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 44 K 8.04 3.94 0.00 2.02 1.90 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 45 S 7.73 4.50 0.00 3.95 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 46 G 8.16 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 0.00 0.00 0.00 47 E 7.53 4.45 0.00 1.64 1.74 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 2.19 1.86 0.00 48 D 8.36 4.45 0.00 2.58 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 0.00 0.00 0.00 49 I 7.58 4.65 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.96 0.00 0.00 50 F 8.76 5.36 0.00 2.99 3.06 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 51 G 9.01 4.62 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 0.00 0.00 0.00 52 D 7.66 4.99 0.00 2.87 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 53 G 7.88 3.94 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 0.00 54 V 8.12 4.62 1.80 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 0.85 0.00 0.00 0.82 0.00 0.00 55 L 9.10 4.79 0.00 1.75 1.63 0.90 0.63 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 56 E 9.01 4.91 0.00 2.42 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 2.24 2.29 0.00 57 I 8.47 4.46 1.82 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 1.18 0.66 0.87 0.00 0.00 58 L 8.36 4.34 0.00 1.13 1.40 1.06 0.99 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 59 Q 8.61 3.89 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 60 D 7.72 4.37 0.00 2.40 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 61 G 7.86 3.95 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 0.00 0.00 0.00 62 F 7.35 4.73 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 63 G 8.75 4.45 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 0.00 64 F 8.65 5.51 0.00 2.99 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 65 L 9.17 5.08 0.00 1.60 1.60 0.92 0.81 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 66 R 8.81 4.97 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 67 S 8.63 4.34 0.00 3.86 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 68 A 8.59 3.91 1.28 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 69 D 7.91 4.67 0.00 2.77 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 70 S 8.09 4.19 0.00 4.03 4.15 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 71 S 8.44 3.86 0.00 4.12 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 72 Y 7.72 3.73 0.00 3.23 3.20 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 73 L 7.78 4.36 0.00 1.76 1.58 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.47 4.34 1.21 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 0.00 0.00 75 G 9.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.21 2.19 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 77 D 8.16 5.20 0.00 2.88 3.06 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 78 D 8.05 4.71 0.00 2.38 2.48 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 79 I 8.49 4.76 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 1.02 0.00 0.00 80 Y 9.26 4.23 0.00 3.14 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 81 V 7.53 4.23 1.82 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 0.83 0.00 0.00 0.83 0.00 0.00 82 S 8.34 4.54 0.00 4.16 4.02 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 83 P 0.00 4.30 0.00 2.22 2.18 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 84 S 8.00 4.16 0.00 4.02 4.12 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 0.00 0.00 0.00 85 Q 8.07 4.02 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 86 I 7.78 3.77 2.01 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 1.49 0.82 0.93 0.00 0.00 87 R 8.06 3.86 0.00 1.95 1.93 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 88 R 7.91 3.69 0.00 1.52 1.78 0.00 2.80 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 89 F 7.50 4.77 0.00 3.10 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 90 N 7.76 4.13 0.00 2.81 2.81 0.00 0.00 7.10 7.41 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 91 L 8.40 4.41 0.00 1.65 1.59 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.93 4.67 0.00 1.77 1.85 0.00 3.10 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 93 T 8.35 4.21 4.23 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 1.21 0.00 0.00 94 G 9.53 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 0.00 0.00 0.00 0.00 95 D 8.16 4.68 0.00 2.75 2.52 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 96 T 8.49 4.78 3.58 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 0.94 0.00 0.00 97 I 8.77 5.08 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.98 0.83 0.00 0.00 98 S 8.65 4.95 0.00 3.87 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 99 G 7.85 4.65 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 0.00 0.00 0.00 100 K 7.91 4.59 0.00 1.68 1.56 0.00 1.42 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.44 7.81 101 I 8.53 5.30 2.07 0.00 0.00 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 1.41 0.72 0.97 0.00 0.00 102 R 9.00 4.94 0.00 1.84 2.03 0.00 2.77 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 103 P 0.00 3.74 0.00 1.86 1.98 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 104 P 0.00 4.30 0.00 2.15 2.13 0.00 2.76 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 105 K 9.40 4.27 0.00 1.95 1.76 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.38 7.81 106 E 8.44 4.12 0.00 1.92 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 2.29 2.24 0.00 107 G 8.90 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 0.00 0.00 0.00 108 E 7.88 4.14 0.00 2.02 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 2.27 2.18 0.00 109 R 8.40 4.16 0.00 1.45 1.32 0.00 3.00 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.16 0.00 110 Y 7.46 5.24 0.00 3.15 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 0.00 111 F 9.22 4.33 0.00 3.08 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 0.00 112 A 8.82 5.39 1.39 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 0.00 0.00 113 L 8.75 4.21 0.00 1.66 1.74 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.44 4.46 0.00 1.62 1.71 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.65 4.63 0.00 1.84 1.59 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.48 7.81 116 V 8.57 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.96 0.00 0.00 117 N 9.02 4.72 0.00 2.81 2.84 0.00 0.00 6.84 8.42 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 0.00 118 E 7.68 4.83 0.00 1.83 1.70 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 2.18 2.21 0.00 119 V 8.48 4.41 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 0.91 0.00 0.00 0.71 0.00 0.00 120 N 9.32 3.42 0.00 2.72 2.75 0.00 0.00 7.09 7.47 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 0.00 121 F 7.38 4.45 0.00 3.22 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 0.00 122 D 7.65 5.03 0.00 2.75 2.46 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 0.00 123 K 8.32 4.24 0.00 2.13 1.92 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 124 P 0.00 4.30 0.00 1.88 1.29 0.00 3.54 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 1.81 1.75 0.00 125 E 8.84 4.34 0.00 1.86 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 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.