NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0637 8.0932 114.7990 57.7409 64.6305 174.2545 2 L 3.8928 8.3917 120.3626 56.8030 41.1243 178.1548 3 L 3.9172 8.4494 122.0359 58.4173 42.1948 178.7155 4 E 4.0399 7.9552 117.7584 59.1831 29.4284 178.8317 5 L 4.0782 7.9565 120.4221 58.3309 42.3077 179.4186 6 G 3.6192 8.1579 105.5314 47.5340 0.0000 175.6622 7 K 3.9662 7.9804 121.5010 59.5611 32.3639 178.8850 8 M 3.9040 8.1506 119.0661 58.4798 31.8382 178.8808 9 I 3.6328 7.6390 119.9256 64.0712 37.2890 178.2767 10 L 4.2972 7.6575 122.2879 57.5979 41.6638 179.0478 11 Q 3.5316 7.5558 117.3889 58.2446 28.4263 177.9206 12 E 4.2941 7.5807 118.4954 58.8600 30.0771 178.2933 13 T 4.2640 7.8945 107.9111 61.6320 69.7126 176.1308 14 G 3.7673 7.8102 108.9540 45.6514 0.0000 172.9647 *16 K 4.4481 7.4719 117.6951 55.6603 33.4831 174.7268 17 N 4.3781 8.4499 120.3636 53.6321 39.7239 175.8495 18 A 4.3074 8.7248 128.4429 55.3813 19.3009 179.7257 19 I 3.8367 8.0843 116.4364 64.9968 37.6547 178.4727 20 T 3.8906 7.9711 115.2225 66.8661 68.3632 176.0247 21 S 4.4421 7.8561 115.0752 59.7376 63.0075 174.7016 22 Y 4.9337 8.0315 114.7934 57.4013 39.5532 177.3731 23 G 3.8805 8.3652 110.0639 47.7829 0.0000 175.6129 24 S 4.9917 7.9103 114.8846 58.2474 63.9893 172.6608 25 Y 4.6266 8.0902 123.1554 58.5966 39.7614 175.4914 26 G 3.0142 7.5249 116.5225 46.7276 0.0000 173.1295 27 C 4.6251 8.8400 118.8751 57.0700 40.9042 174.0038 28 N 4.5796 8.1152 114.7622 53.0899 40.7081 174.1205 29 C 4.5257 8.2164 116.7144 57.4659 41.8121 172.1731 30 G 4.1089 8.5593 111.8262 44.5166 0.0000 174.2593 31 W 4.3354 8.6593 122.4244 57.1993 28.9071 177.6706 32 G 3.4553 8.8401 105.9389 45.0595 0.0000 170.6442 33 H 4.9442 7.9524 116.8266 53.8695 31.7952 173.5609 34 R 4.3486 8.2251 118.3691 56.9039 31.0632 176.1394 35 G 4.1889 8.6391 107.2534 45.2541 0.0000 172.1927 36 Q 4.2557 8.3005 119.2694 55.1093 28.7903 175.6683 37 P 4.5238 0.0000 0.0000 62.7677 32.0365 176.6561 38 K 4.0461 8.3868 120.9258 58.3283 32.9433 176.0298 39 D 4.4935 7.0899 115.5513 51.5149 41.6978 174.9642 40 A 3.9343 8.7498 119.3913 56.0876 18.5058 179.8322 41 T 3.7719 7.9758 113.8226 67.0426 68.5089 176.0831 42 D 4.4790 8.3914 119.7004 57.2545 41.2222 178.4893 43 R 3.9256 7.8842 118.7420 59.1593 29.9706 178.1429 44 C 4.1895 8.1328 116.4864 60.5343 35.6456 175.7131 45 C 4.1252 7.8266 116.4262 59.3954 34.5860 175.9840 46 F 3.9627 8.0902 122.6419 61.3124 38.9449 177.3454 47 V 3.7221 8.1020 117.9258 66.2096 31.3504 177.3761 48 H 3.9050 8.1365 118.0102 59.2552 29.4489 177.4808 49 K 3.7903 7.5406 118.9180 59.3453 31.9060 178.4654 50 C 4.3230 7.8616 116.7448 60.0942 38.3456 175.2460 51 C 4.0988 8.3454 120.2654 59.9397 38.9594 175.2994 52 Y 4.0591 7.6901 117.8725 60.7798 37.1809 178.1704 53 K 4.0676 7.6929 118.7001 59.1787 32.1593 179.0040 54 K 4.3468 7.4582 117.3361 57.6380 32.9171 177.8368 55 L 4.3370 7.5375 119.9673 54.2132 39.7285 176.2018 56 T 4.0545 7.9402 113.5768 63.3180 69.8007 177.0897 *59 D 4.7315 8.1777 119.8687 54.1140 42.6540 173.4480 *61 C 4.5206 7.5632 113.7030 55.1684 38.4332 171.7237 *67 N 4.9314 8.5156 115.8885 53.5500 39.0831 174.5255 68 H 4.0467 8.2655 121.9006 58.3829 29.2428 178.0033 69 K 3.9733 8.1408 120.0735 59.1745 31.9896 178.7787 70 T 4.2671 7.7972 105.8504 62.3119 70.3206 174.4041 71 D 4.5185 7.8181 122.6862 53.7507 41.1485 176.3643 72 R 4.4435 8.6062 123.0130 54.9171 31.2088 174.8721 73 Y 5.1121 7.3321 117.0734 55.5588 41.4093 174.1679 74 S 5.0489 8.9706 116.5127 57.5983 64.1934 173.6217 75 Y 5.1471 8.2574 120.2450 56.4712 40.7516 173.6330 76 S 4.6021 9.2691 115.9427 56.5752 66.7075 173.5307 77 W 5.6918 8.7179 133.7674 55.4498 29.0264 172.9891 78 K 4.2580 8.3492 123.8008 54.8297 33.7916 175.8890 79 N 3.7022 8.9862 124.2097 54.7333 35.8264 173.8401 80 K 2.4800 7.2131 109.4363 56.3178 30.0830 175.6958 81 A 4.6191 6.2245 117.6227 50.5606 22.4299 175.9990 82 I 4.8140 8.5152 122.2381 60.9147 38.4990 175.4297 83 I 4.5813 8.8047 127.5540 59.5619 40.5110 174.1127 84 C 4.7145 8.8040 125.2822 56.2084 41.2504 174.1635 *86 E 4.9158 8.4829 125.0936 56.3212 30.3999 175.3800 87 E 4.6215 8.3384 119.5733 54.7011 31.2749 175.3453 88 K 4.2321 8.5257 124.5227 57.8807 33.4111 177.1290 89 N 4.3127 8.3556 118.1234 53.0904 39.5772 173.1325 90 P 4.2153 0.0000 0.0000 66.1411 31.5628 179.0948 91 C 4.2843 8.1910 116.4116 59.7047 42.4933 175.4099 92 L 3.8866 8.2496 120.4943 57.2418 41.1179 179.4561 93 K 3.8355 8.1777 120.2887 59.5254 32.1956 178.8081 94 E 3.9713 8.1781 118.9109 59.3729 29.3082 179.0630 95 M 4.0992 8.0069 118.5024 58.6967 32.3467 177.4550 96 C 3.4523 7.5873 118.5941 59.4935 40.7801 175.4781 97 E 3.9429 8.0562 120.1204 59.2840 28.8514 178.7186 98 C 4.2454 8.2270 116.7770 60.0654 41.0491 175.9185 99 D 4.2504 8.1398 120.3760 57.2453 40.4805 178.4958 100 K 3.7544 8.4576 120.2633 59.6139 32.0856 178.5263 101 A 3.9685 7.9397 121.0726 55.1392 18.2629 180.0346 102 V 3.4715 7.5898 117.2674 64.5551 31.6397 178.5443 103 A 3.7664 7.9178 121.4212 55.0219 18.2377 179.7113 104 I 3.6762 7.6913 118.3627 64.5690 37.0157 177.9075 105 C 4.2328 8.2392 119.3765 59.6752 43.2490 175.6695 106 L 3.7811 7.7185 119.6861 57.6141 40.9100 179.0999 107 R 4.0195 7.8112 118.3268 59.5018 29.8012 178.4975 108 E 4.1157 8.1123 117.3707 58.3542 29.4639 177.9630 109 N 5.2175 7.3978 116.9255 52.4083 39.0030 176.8752 110 L 4.1347 7.6935 123.7814 57.6675 41.1999 178.9936 111 D 4.4067 8.2872 118.7095 55.7164 39.5686 177.5312 112 T 4.5483 7.4728 107.2444 60.9267 68.9734 173.7893 113 Y 4.1132 7.7108 124.6268 58.1516 39.2335 174.3893 114 N 5.1978 8.6067 125.0483 51.4949 41.6011 175.1711 115 K 4.2185 8.6834 124.6658 58.2813 32.6141 179.1693 116 K 3.8803 7.7025 117.9699 59.8430 32.6065 177.7089 117 Y 4.4468 7.0411 115.5495 58.3111 38.1988 177.0339 118 K 3.8235 7.5031 121.1134 59.0186 32.6439 177.1311 119 A 4.9571 7.6165 117.8082 50.9998 19.0291 175.6653 120 Y 4.1406 7.9595 122.3199 57.9025 39.4610 176.5302 121 F 4.5550 8.1750 128.8176 57.2836 37.7907 175.7370 122 K 3.9587 7.8241 124.4485 57.8491 32.2912 178.9059 *124 F 4.6765 7.9030 116.7457 56.9992 40.5894 175.7720 125 K 4.4496 7.7526 116.4661 57.2693 32.8602 176.4367 126 C 4.3681 7.7293 118.8022 57.5568 35.4858 173.1144 *128 K 4.2872 8.4496 120.7740 55.7255 33.7161 175.0327 129 K 4.2071 8.7570 123.7366 56.4769 32.3786 174.8612 130 P 4.6456 0.0000 0.0000 62.3243 32.2697 175.9323 131 E 4.2703 8.0074 120.0880 56.0449 30.0896 177.0514 132 T 4.0661 8.1716 114.9384 62.3036 68.1191 174.8542 133 C 4.5839 8.5994 121.9544 57.3781 41.3275 173.7848 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 S 8.09 5.06 0.00 4.18 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 2 L 8.39 3.89 0.00 1.74 1.81 0.97 0.45 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 3 L 8.45 3.92 0.00 1.63 1.61 0.89 0.91 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 4 E 7.96 4.04 0.00 1.83 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 1.59 2.39 0.00 5 L 7.96 4.08 0.00 2.07 1.90 0.81 1.15 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 6 G 8.16 3.62 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 7 K 7.98 3.97 0.00 2.08 2.06 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 M 8.15 3.90 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 9 I 7.64 3.63 1.81 0.00 0.00 0.69 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 0.70 0.85 0.00 0.00 10 L 7.66 4.30 0.00 1.75 1.70 0.91 0.31 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 11 Q 7.56 3.53 0.00 1.28 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 1.32 1.96 0.00 12 E 7.58 4.29 0.00 1.95 1.98 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 2.31 2.44 0.00 13 T 7.89 4.26 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 1.18 0.00 0.00 14 G 7.81 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 0.00 0.00 0.00 *16 K 7.47 4.45 0.00 1.89 1.65 0.00 1.36 0.00 0.00 1.14 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.27 7.81 17 N 8.45 4.38 0.00 2.72 2.70 0.00 0.00 6.99 8.09 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 18 A 8.72 4.31 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 19 I 8.08 3.84 2.05 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 1.48 0.59 0.97 0.00 0.00 20 T 7.97 3.89 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 1.23 0.00 0.00 21 S 7.86 4.44 0.00 3.55 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 22 Y 8.03 4.93 0.00 3.20 2.89 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 23 G 8.37 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 24 S 7.91 4.99 0.00 4.30 4.38 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 25 Y 8.09 4.63 0.00 3.09 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 26 G 7.52 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 0.00 0.00 0.00 27 C 8.84 4.63 0.00 3.00 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 28 N 8.12 4.58 0.00 2.99 2.74 0.00 0.00 6.96 7.73 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 29 C 8.22 4.53 0.00 3.38 3.37 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 30 G 8.56 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 0.00 0.00 0.00 31 W 8.66 4.34 0.00 3.56 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 32 G 8.84 3.46 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 33 H 7.95 4.94 0.00 3.05 3.17 0.00 5.70 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 34 R 8.23 4.35 0.00 1.46 1.56 0.00 2.21 0.00 0.00 2.71 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 35 G 8.64 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 36 Q 8.30 4.26 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 37 P 0.00 4.52 0.00 1.90 1.97 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 38 K 8.39 4.05 0.00 0.79 1.03 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.94 0.21 7.81 39 D 7.09 4.49 0.00 2.81 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 40 A 8.75 3.93 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 41 T 7.98 3.77 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 0.73 0.00 0.00 42 D 8.39 4.48 0.00 2.94 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 43 R 7.88 3.93 0.00 2.05 1.90 0.00 3.10 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 44 C 8.13 4.19 0.00 3.10 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 45 C 7.83 4.13 0.00 3.16 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 46 F 8.09 3.96 0.00 3.13 3.15 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 47 V 8.10 3.72 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 1.02 0.00 0.00 1.02 0.00 0.00 48 H 8.14 3.91 0.00 3.16 3.27 0.00 5.64 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 49 K 7.54 3.79 0.00 1.67 1.68 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.33 7.81 50 C 7.86 4.32 0.00 3.12 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 51 C 8.35 4.10 0.00 3.05 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 52 Y 7.69 4.06 0.00 3.09 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 53 K 7.69 4.07 0.00 1.84 1.88 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 54 K 7.46 4.35 0.00 1.56 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 55 L 7.54 4.34 0.00 1.78 1.60 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.94 4.05 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 *59 D 8.18 4.73 0.00 2.83 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 *61 C 7.56 4.52 0.00 3.29 3.38 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 *67 N 8.52 4.93 0.00 2.71 2.81 0.00 0.00 7.44 7.89 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 68 H 8.27 4.05 0.00 1.96 2.66 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.14 3.97 0.00 2.01 1.86 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.36 7.81 70 T 7.80 4.27 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 1.19 0.00 0.00 71 D 7.82 4.52 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 4.44 0.00 1.77 1.87 0.00 3.17 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 73 Y 7.33 5.11 0.00 3.12 2.95 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 74 S 8.97 5.05 0.00 4.04 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 75 Y 8.26 5.15 0.00 3.21 3.15 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 76 S 9.27 4.60 0.00 3.83 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 77 W 8.72 5.69 0.00 3.46 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 78 K 8.35 4.26 0.00 1.71 1.56 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.31 7.81 79 N 8.99 3.70 0.00 2.75 2.74 0.00 0.00 7.19 7.61 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 80 K 7.21 2.48 0.00 1.66 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.21 7.81 81 A 6.22 4.62 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.52 4.81 1.98 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 1.61 1.10 0.92 0.00 0.00 83 I 8.80 4.58 1.96 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 1.26 0.80 0.96 0.00 0.00 84 C 8.80 4.71 0.00 2.98 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 *86 E 8.48 4.92 0.00 1.97 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 2.26 2.23 0.00 87 E 8.34 4.62 0.00 2.14 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 2.19 2.56 0.00 88 K 8.53 4.23 0.00 1.80 1.85 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 89 N 8.36 4.31 0.00 2.83 2.82 0.00 0.00 7.07 7.83 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 90 P 0.00 4.22 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 91 C 8.19 4.28 0.00 2.98 3.22 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 0.00 92 L 8.25 3.89 0.00 1.92 1.82 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.18 3.84 0.00 2.04 2.03 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.18 3.97 0.00 2.17 1.97 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 2.54 2.45 0.00 95 M 8.01 4.10 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 96 C 7.59 3.45 0.00 1.76 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 97 E 8.06 3.94 0.00 2.12 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 2.44 2.45 0.00 98 C 8.23 4.25 0.00 3.29 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 99 D 8.14 4.25 0.00 2.90 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 0.00 100 K 8.46 3.75 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 A 7.94 3.97 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 0.00 102 V 7.59 3.47 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 0.43 0.00 0.00 0.72 0.00 0.00 103 A 7.92 3.77 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 0.00 104 I 7.69 3.68 1.85 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 1.45 0.81 0.91 0.00 0.00 105 C 8.24 4.23 0.00 3.05 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 0.00 106 L 7.72 3.78 0.00 1.33 1.30 0.10 0.45 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 0.00 107 R 7.81 4.02 0.00 1.92 2.10 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 108 E 8.11 4.12 0.00 2.17 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 2.46 2.49 0.00 109 N 7.40 5.22 0.00 2.69 2.82 0.00 0.00 7.01 6.63 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 0.00 110 L 7.69 4.13 0.00 1.73 1.73 1.01 0.89 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 0.00 111 D 8.29 4.41 0.00 2.85 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 0.00 112 T 7.47 4.55 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 1.25 0.00 0.00 113 Y 7.71 4.11 0.00 3.05 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 0.00 114 N 8.61 5.20 0.00 2.75 2.45 0.00 0.00 6.85 6.23 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 0.00 115 K 8.68 4.22 0.00 1.89 1.88 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.63 7.81 116 K 7.70 3.88 0.00 1.63 1.72 0.00 1.36 0.00 0.00 1.12 0.00 0.00 2.54 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.66 0.21 7.81 117 Y 7.04 4.45 0.00 1.49 1.77 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 0.00 118 K 7.50 3.82 0.00 1.90 1.95 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.64 7.81 119 A 7.62 4.96 1.33 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 0.00 120 Y 7.96 4.14 0.00 3.18 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 0.00 121 F 8.17 4.55 0.00 3.10 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 0.00 122 K 7.82 3.96 0.00 0.96 1.19 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.36 7.81 *124 F 7.90 4.68 0.00 2.67 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 0.00 125 K 7.75 4.45 0.00 2.05 2.28 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.75 1.51 7.81 126 C 7.73 4.37 0.00 2.99 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 *128 K 8.45 4.29 0.00 1.73 1.79 0.00 2.15 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.26 7.81 129 K 8.76 4.21 0.00 1.78 1.76 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 130 P 0.00 4.65 0.00 2.31 2.12 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 131 E 8.01 4.27 0.00 2.19 1.98 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 2.35 2.41 0.00 132 T 8.17 4.07 4.27 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 1.24 0.00 0.00 133 C 8.60 4.58 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.