NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 H 4.8128 8.4449 117.8400 55.5278 30.1912 174.1993 11 Q 4.3093 7.6298 115.8611 54.6221 29.4349 174.8802 *12 R 4.4421 8.1726 111.5947 56.0941 30.1612 177.9009 13 K 4.0785 8.3567 118.8719 59.6895 32.4717 177.7867 14 V 3.6538 7.6369 118.9245 62.0422 31.5716 175.3283 15 V 3.6211 8.4499 127.9280 62.9931 31.6668 175.7625 16 S 4.4191 8.0732 119.9367 57.5610 63.6958 173.4997 17 W 4.1873 8.6734 134.9493 59.3113 31.0517 175.4529 *18 I 3.8922 7.7500 129.1657 60.9013 32.3196 173.0982 19 D 4.5178 8.1878 120.2558 56.6133 40.7041 179.6460 20 V 3.5144 7.9661 120.4231 64.9066 31.3132 177.6950 21 Y 3.5390 7.2437 118.9874 60.1435 38.7148 177.2986 22 T 3.9320 7.5518 109.6275 65.0648 68.7183 175.6414 23 R 3.9407 7.3998 119.2660 58.1850 30.3827 177.1535 24 A 4.5414 7.7089 121.3413 52.6143 19.5623 176.1275 25 T 4.4646 7.2692 115.4956 62.4373 71.6781 174.7459 26 C 4.7745 8.9169 124.7000 56.7804 42.9918 172.4902 27 Q 4.7408 8.2255 123.1752 53.8762 32.3072 171.6862 28 P 4.9669 0.0000 0.0000 62.8512 32.1979 175.7638 29 R 4.8109 8.9955 118.8657 54.4895 33.5425 173.7021 30 E 4.7155 8.6587 118.8630 56.3691 30.5941 176.2079 31 V 4.4162 8.8793 124.5438 60.5541 34.8576 174.7410 32 V 4.1029 8.5063 128.0795 63.1327 32.4039 175.2285 33 V 4.5163 8.5975 126.3538 60.5193 35.1995 173.0139 34 P 4.7957 0.0000 0.0000 62.0094 32.4296 175.8563 35 L 4.1869 8.2757 120.9188 54.5631 42.3316 177.5101 36 T 3.8821 8.3112 112.9919 61.0509 69.3569 173.2614 37 V 3.7150 8.5785 127.7449 66.6189 31.5393 173.7755 *38 E 4.8047 8.5996 128.1193 55.9990 26.5400 174.3916 39 L 4.8111 7.7293 117.4493 53.9808 42.1428 177.3233 40 M 4.2605 8.0390 118.0805 56.4698 32.4475 177.1894 41 G 3.8423 7.8678 106.3856 46.7357 0.0000 174.5052 42 T 3.7800 7.8766 116.2340 64.0968 68.8016 173.7073 43 V 4.0187 8.1639 124.6646 62.3819 30.0281 174.3675 44 A 4.6682 7.7792 126.7185 49.9886 22.1703 176.4369 45 K 4.1909 8.9977 124.4942 59.4299 32.8698 176.8028 46 Q 4.6579 7.8262 118.5597 54.7986 32.6883 172.9783 47 L 5.0016 8.5088 123.9609 53.0065 44.3064 175.8922 48 V 4.4558 8.5567 124.6518 60.3510 34.0402 173.9750 49 P 4.8962 0.0000 0.0000 62.0830 32.5282 176.0526 50 S 4.4562 8.4051 113.0039 59.6873 63.1284 173.9159 51 C 5.0246 7.5361 113.8544 56.7661 32.8654 173.6974 52 V 4.5336 9.0196 112.9534 59.9194 35.3031 174.8469 53 T 4.8236 8.5388 121.1907 63.0367 69.4652 174.5612 54 V 4.4417 8.5794 118.9878 59.5488 36.0059 174.0407 55 Q 5.0423 8.4818 122.4223 54.7900 30.6271 174.5545 56 R 4.8416 9.0006 124.7732 54.3950 35.3099 174.0166 57 C 4.7310 9.2582 119.2292 58.0160 36.6690 172.6804 58 G 4.0477 8.9151 116.6223 45.7760 0.0000 170.8096 59 G 4.1515 9.2839 109.5471 45.2029 0.0000 172.2452 60 C 4.6857 7.3776 112.8162 56.9133 32.6868 173.0277 61 C 4.6401 8.4282 118.6402 55.6966 41.0086 172.2365 62 P 4.9104 0.0000 0.0000 63.0998 29.6119 175.4567 63 D 4.8640 7.7219 116.6037 53.0397 45.0530 176.1408 64 D 4.6588 8.8430 121.3598 57.6619 41.2594 178.5243 65 G 3.7812 8.2115 106.0983 49.2360 0.0000 174.0299 66 L 4.7952 7.3124 120.2149 53.7637 42.7185 176.4185 67 E 4.6819 9.8866 121.8956 54.3537 32.6971 174.4729 68 C 4.9367 8.8892 123.0338 56.9036 39.5820 172.6095 69 V 4.7281 9.0794 120.0849 58.6616 35.4988 172.9869 70 P 5.1218 0.0000 0.0000 62.4066 31.9497 175.7559 71 T 4.4557 8.9110 113.7829 61.6886 70.3574 174.8343 72 G 4.3625 7.7423 110.1176 44.9633 0.0000 171.7315 73 Q 5.1895 8.4006 121.3374 56.0740 31.7001 172.3023 74 H 4.6652 9.0870 113.8831 55.1993 32.5710 172.5893 75 Q 5.4701 8.3472 118.0612 54.2182 30.5738 174.9561 76 V 4.3589 8.2818 124.1846 61.8817 33.2225 174.6681 77 R 4.8865 8.6152 127.8165 55.6661 31.0818 175.7871 78 M 4.9267 9.2743 122.0462 53.2250 34.6163 174.5470 79 Q 4.7369 8.8357 121.3485 56.1208 29.8787 175.1593 80 I 4.5114 9.0197 124.3597 59.2971 40.3306 174.5004 81 L 4.3116 8.6447 128.4228 55.2532 43.2267 175.7704 82 M 5.2099 9.0274 127.5150 53.0030 32.3711 173.3795 83 I 4.4591 8.4473 123.0010 61.2800 38.3513 175.0415 84 R 4.5095 8.9634 123.8623 57.0837 31.5713 176.5761 *85 Y 3.3322 8.5772 117.6338 56.8775 35.3690 169.6581 86 P 4.4569 0.0000 0.0000 66.7972 31.8336 176.9185 87 S 4.6400 7.6169 111.6616 55.9552 65.3889 173.3378 88 S 4.7197 8.4837 123.1093 58.6827 64.3361 172.8224 89 Q 4.8510 8.5551 119.4967 54.7357 32.7674 173.2735 90 L 5.0308 8.5038 118.9766 53.2997 43.1747 176.6507 91 G 4.2372 9.0052 110.5291 44.2868 0.0000 171.2690 92 E 4.7386 8.6951 123.0045 54.9404 30.9985 174.6822 93 M 4.6397 9.1160 127.6692 53.9598 34.3952 174.4494 94 S 5.9496 8.9174 121.7819 56.0932 65.9939 173.0972 95 L 4.6395 8.0452 122.4399 54.2604 44.3850 173.8752 96 E 5.0179 8.5507 120.3545 55.6229 30.2640 175.3950 97 E 4.6641 9.3372 127.6066 54.7624 33.4126 173.4715 98 H 5.3080 9.0379 124.1979 54.7453 30.2258 173.9973 99 S 4.7848 9.3340 117.6405 59.9950 64.3042 174.0836 100 Q 4.5960 7.7762 120.3252 53.9632 30.4419 175.0639 101 C 5.5119 8.4522 119.5453 55.4823 40.5812 172.8341 102 E 4.7228 9.1323 118.9303 55.5444 33.3414 173.6083 103 C 5.0646 8.9343 124.7950 56.8293 38.9559 173.0024 104 R 4.8822 9.0967 123.1679 53.1696 33.8091 173.8945 105 P 4.2493 0.0000 0.0000 63.0421 32.1746 177.4398 106 K 4.3560 7.9575 121.9035 55.6485 33.9426 176.2451 107 K 4.6671 8.2444 117.4263 55.1023 35.5156 176.2451 108 K 4.1375 8.4665 120.0818 56.6897 32.1410 176.2034 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 H 8.44 4.81 0.00 3.16 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.63 4.31 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 5.52 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 *12 R 8.17 4.44 0.00 1.93 2.06 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.00 13 K 8.36 4.08 0.00 1.69 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 V 7.64 3.65 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 0.85 0.00 0.00 0.95 0.00 0.00 15 V 8.45 3.62 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 0.87 0.00 0.00 0.93 0.00 0.00 16 S 8.07 4.42 0.00 4.11 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 17 W 8.67 4.19 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00 *18 I 7.75 3.89 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 1.41 0.40 0.91 0.00 0.00 19 D 8.19 4.52 0.00 2.88 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 20 V 7.97 3.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.80 0.00 0.00 21 Y 7.24 3.54 0.00 1.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 3.93 4.22 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 0.00 0.00 0.00 1.31 0.00 0.00 23 R 7.40 3.94 0.00 1.95 2.06 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 24 A 7.71 4.54 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 25 T 7.27 4.46 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 1.08 0.00 0.00 26 C 8.92 4.77 0.00 2.93 3.04 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 27 Q 8.23 4.74 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 28 P 0.00 4.97 0.00 2.10 2.11 0.00 3.75 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 1.98 2.31 0.00 29 R 9.00 4.81 0.00 1.80 1.98 0.00 2.73 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 30 E 8.66 4.72 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 31 V 8.88 4.42 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 0.91 0.00 0.00 0.91 0.00 0.00 32 V 8.51 4.10 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 0.78 0.00 0.00 0.92 0.00 0.00 33 V 8.60 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 0.91 0.00 0.00 34 P 0.00 4.80 0.00 1.97 1.99 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 35 L 8.28 4.19 0.00 1.61 1.59 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.31 3.88 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 37 V 8.58 3.72 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 0.77 0.00 0.00 0.93 0.00 0.00 *38 E 8.60 4.80 0.00 2.12 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 0.00 2.02 1.65 0.00 39 L 7.73 4.81 0.00 1.56 1.72 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.04 4.26 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 41 G 7.87 3.84 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 0.00 0.00 0.00 42 T 7.88 3.78 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 43 V 8.16 4.02 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 0.77 0.00 0.00 0.93 0.00 0.00 44 A 7.78 4.67 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 45 K 9.00 4.19 0.00 1.74 1.95 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 46 Q 7.83 4.66 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 47 L 8.51 5.00 0.00 1.52 1.55 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.56 4.46 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 1.00 0.00 0.00 0.93 0.00 0.00 49 P 0.00 4.90 0.00 2.31 2.05 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 50 S 8.41 4.46 0.00 3.88 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 51 C 7.54 5.02 0.00 3.04 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 52 V 9.02 4.53 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 0.81 0.00 0.00 0.92 0.00 0.00 53 T 8.54 4.82 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 1.23 0.00 0.00 54 V 8.58 4.44 2.02 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 0.67 0.00 0.00 0.95 0.00 0.00 55 Q 8.48 5.04 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 56 R 9.00 4.84 0.00 1.65 1.70 0.00 3.16 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 57 C 9.26 4.73 0.00 2.87 3.08 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 0.00 0.00 0.00 0.00 58 G 8.92 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 59 G 9.28 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 0.00 0.00 0.00 60 C 7.38 4.69 0.00 3.01 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 61 C 8.43 4.64 0.00 3.14 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 62 P 0.00 4.91 0.00 2.28 2.35 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 63 D 7.72 4.86 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.66 0.00 2.68 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 65 G 8.21 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 66 L 7.31 4.80 0.00 1.62 1.62 0.95 0.87 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 67 E 9.89 4.68 0.00 2.00 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 2.28 2.20 0.00 68 C 8.89 4.94 0.00 2.98 3.05 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 69 V 9.08 4.73 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 0.69 0.00 0.00 1.00 0.00 0.00 70 P 0.00 5.12 0.00 1.86 1.82 0.00 3.39 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 1.61 1.69 0.00 71 T 8.91 4.46 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 1.30 0.00 0.00 72 G 7.74 4.36 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 0.00 73 Q 8.40 5.19 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 74 H 9.09 4.67 0.00 3.12 3.40 0.00 5.25 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.35 5.47 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 76 V 8.28 4.36 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 1.17 0.00 0.00 1.05 0.00 0.00 77 R 8.62 4.89 0.00 1.72 1.96 0.00 3.26 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 78 M 9.27 4.93 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 79 Q 8.84 4.74 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 80 I 9.02 4.51 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 1.11 0.62 0.91 0.00 0.00 81 L 8.64 4.31 0.00 1.78 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.03 5.21 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 83 I 8.45 4.46 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 0.91 0.98 0.91 0.00 0.00 84 R 8.96 4.51 0.00 1.75 1.84 0.00 3.43 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 *85 Y 8.58 3.33 0.00 2.50 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 0.00 0.00 0.00 86 P 0.00 4.46 0.00 2.17 2.21 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 87 S 7.62 4.64 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 88 S 8.48 4.72 0.00 3.82 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 89 Q 8.56 4.85 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 90 L 8.50 5.03 0.00 1.54 1.63 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.01 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 92 E 8.70 4.74 0.00 1.99 1.86 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 2.24 2.29 0.00 93 M 9.12 4.64 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 94 S 8.92 5.95 0.00 3.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.64 0.00 1.68 1.72 0.96 0.54 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 96 E 8.55 5.02 0.00 2.00 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 2.32 2.30 0.00 97 E 9.34 4.66 0.00 1.88 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 2.18 2.30 0.00 98 H 9.04 5.31 0.00 2.99 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.33 4.78 0.00 3.83 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 0.00 100 Q 7.78 4.60 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 101 C 8.45 5.51 0.00 2.79 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 0.00 102 E 9.13 4.72 0.00 1.94 1.72 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 2.20 2.26 0.00 103 C 8.93 5.06 0.00 2.91 3.05 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 0.00 104 R 9.10 4.88 0.00 1.66 1.77 0.00 3.13 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 105 P 0.00 4.25 0.00 1.93 1.99 0.00 3.67 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 2.03 2.13 0.00 106 K 7.96 4.36 0.00 1.73 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.57 7.81 107 K 8.24 4.67 0.00 1.69 1.67 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 108 K 8.47 4.14 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.