NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 K 4.1883 8.3149 122.1329 54.2423 33.9164 175.2330 *2 I 3.9634 7.5425 120.0604 62.3226 38.1268 175.1516 3 T 5.0214 8.3970 120.8626 60.9992 68.4593 173.1416 4 P 4.7356 0.0000 0.0000 61.8348 32.5060 176.8038 5 R 4.4160 8.4704 119.6096 57.0715 31.2067 175.5358 6 F 5.6045 8.2473 115.4002 56.6458 40.9259 172.7958 7 S 4.7397 9.0428 113.0938 57.7219 66.6867 173.0551 8 I 5.4354 8.1710 120.3892 60.5028 41.3575 174.2108 9 T 5.0208 8.9180 115.6136 60.6172 72.7560 172.0614 10 Q 5.1566 8.6592 117.6631 55.4245 31.2492 174.1702 11 D 5.2544 8.8653 121.0353 52.9140 40.9661 175.9807 12 E 4.2413 8.8956 112.8789 57.7886 30.6815 177.4845 13 E 4.2397 8.2931 118.9081 55.9839 31.4576 174.6275 14 F 5.1316 9.0483 116.6771 55.6437 44.0182 173.5235 15 I 4.4633 8.3784 121.3656 59.5132 39.7903 174.8321 16 F 4.8614 9.3991 125.7715 55.7812 41.5167 174.4275 17 L 4.6947 9.2426 128.0863 53.1254 43.8946 175.0158 18 K 4.5315 8.8417 129.5476 55.5814 33.4872 175.2982 19 I 4.6790 8.3207 129.1502 59.4081 39.6736 174.7671 20 F 5.0002 8.7524 127.1623 56.7546 39.4160 175.3136 21 I 4.5556 8.3247 116.4319 59.5625 40.8807 174.6342 22 S 4.7691 8.8830 117.5318 57.9543 66.9745 173.4563 23 N 4.1996 8.7447 116.8127 54.3608 36.0669 174.7536 24 I 3.9748 7.5507 116.4246 60.4684 38.4678 176.2314 25 R 4.3442 7.9620 122.9023 54.3106 30.9767 175.8891 26 F 4.4759 8.4398 122.6055 56.8944 39.9011 175.3810 27 S 4.8398 8.2829 118.0511 56.5501 65.7540 173.2625 28 A 4.2026 8.5830 121.4884 55.1464 18.2079 178.9600 29 V 4.5090 7.5739 104.0749 60.9195 35.3377 175.9743 30 G 3.6899 8.3891 110.0297 48.3459 0.0000 173.8150 31 L 4.2889 7.8034 122.3080 54.3236 42.8266 175.8770 32 E 4.5950 9.0647 127.9371 54.4994 32.3896 174.5659 33 I 4.9657 8.4652 127.6723 59.6870 39.7128 174.7787 34 I 4.2273 8.8364 129.2582 60.4888 38.8127 175.5790 35 I 4.7951 8.4035 126.4353 59.4627 39.2008 174.1125 36 Q 4.5058 8.3616 124.7766 54.4141 32.2143 177.0822 37 E 3.7026 8.8961 126.1895 57.6910 28.9792 176.6875 38 N 5.4019 8.7903 126.0397 51.8277 36.2251 174.4223 *40 I 4.4102 7.2836 119.7759 61.9868 39.7947 176.2599 41 I 4.8335 9.0250 127.8085 59.3519 40.1817 174.2770 42 F 5.2302 8.6563 128.9380 56.5834 42.2952 173.2365 43 H 5.1264 8.8022 125.7342 54.6231 33.1477 172.0598 44 L 4.4856 8.6203 128.7219 53.1625 43.8805 174.1270 45 S 4.3581 8.3405 118.9463 58.2275 62.7597 172.4638 46 P 4.7500 0.0000 0.0000 63.3468 32.1097 174.7557 47 Y 5.2419 8.4211 116.8732 57.7254 40.2648 174.9075 48 Y 5.4065 9.2946 124.4833 56.0336 43.1386 174.2146 49 L 4.2754 7.6982 126.8763 54.3316 45.6090 173.7308 50 R 4.6652 8.4215 127.7737 54.6781 31.3603 174.9081 51 L 4.9366 8.5539 126.8968 52.6753 43.9915 176.1336 52 R 4.8672 8.8679 119.9539 54.5074 31.9705 174.9239 53 F 4.7051 9.5887 122.1572 55.0940 41.0265 175.1974 54 P 4.2037 0.0000 0.0000 65.8879 31.5887 175.5934 55 H 4.5451 7.3266 111.6609 54.9084 32.1758 171.3321 56 E 5.0413 8.6716 118.4456 55.7614 32.0177 175.5718 57 L 5.2102 9.0496 123.2761 53.2114 44.6359 175.4928 58 I 4.5776 8.3081 119.4475 59.4699 41.2905 174.3084 59 D 4.7642 8.7809 128.2086 52.7607 41.4448 174.3710 60 D 4.6707 7.9562 128.9337 52.2955 41.5547 175.5759 61 E 4.0764 8.8434 115.1232 59.4458 30.0168 178.2639 62 R 4.0038 8.1597 118.6851 59.0043 30.2626 176.8845 63 S 4.3844 7.6045 114.0989 59.6633 63.2483 174.2989 64 T 4.8041 9.0302 118.6030 60.3381 71.1563 172.2083 65 A 5.3177 8.3990 125.9608 50.5585 22.9635 175.3211 66 Q 4.4451 8.6042 119.6388 54.8981 32.9932 173.2316 67 Y 4.7484 8.7432 128.1494 57.7040 40.6384 173.5840 68 D 4.6348 8.5865 126.2825 52.2031 43.1844 176.6420 69 S 4.1290 8.2635 121.1862 60.4740 63.2145 175.7543 70 K 3.8616 7.6326 121.0593 59.6697 32.0708 176.7693 71 D 4.5103 9.4997 118.9339 54.2428 41.8251 176.2729 72 E 3.8722 7.5960 117.9726 56.9377 27.3111 172.1801 73 C 5.0545 7.8782 113.4322 57.1909 34.6650 174.4760 74 I 4.8077 8.5692 120.2607 59.6803 39.3399 174.8570 75 N 4.9783 9.0834 125.9232 52.2790 39.7367 174.2864 76 V 4.7535 8.8072 125.0180 61.0339 34.1785 174.4371 77 K 4.8226 9.0557 128.1224 54.6258 35.5227 174.9899 78 V 4.7277 8.2784 125.8572 61.2482 35.4960 173.6698 79 A 4.5058 8.6126 128.8982 51.0510 19.9463 177.0774 80 K 4.1484 7.9887 121.2946 55.9457 32.8849 177.0654 81 L 3.9512 8.5281 126.2759 57.7234 42.3174 177.0364 82 N 4.8211 7.9109 117.6347 50.7398 39.8047 173.9757 83 K 4.0016 8.4589 124.5756 58.0411 32.5968 176.3817 84 N 4.2865 9.1098 120.7241 53.5465 36.9228 173.9149 85 E 4.2116 7.9121 120.0198 55.3647 29.8659 175.4924 86 Y 4.3295 8.7165 128.2752 57.4256 39.4753 174.3296 87 F 4.5197 8.2719 126.5759 55.6434 39.8172 175.5356 88 E 4.2817 8.4977 123.9607 56.8222 30.9420 176.0226 89 D 4.8301 8.6930 117.9433 54.6199 38.3672 175.8148 90 L 4.2132 7.4456 116.3610 57.2183 41.9779 178.1405 91 D 4.7362 8.1438 117.5140 53.1763 39.6493 175.7889 92 L 4.8165 7.5808 122.2420 51.9453 41.4789 174.7313 93 P 4.3075 0.0000 0.0000 65.7757 31.1403 177.5634 94 T 3.8199 7.8155 110.2750 65.1834 67.4002 175.4723 95 K 4.0391 7.5221 118.6554 59.8458 32.5219 179.1731 96 L 4.2410 7.8182 119.3366 56.4464 41.3505 177.1869 97 L 4.3268 7.5644 122.9531 54.8437 41.9003 176.3101 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 *0 K 8.31 4.19 0.00 1.79 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 *2 I 7.54 3.96 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.33 1.12 0.00 0.00 3 T 8.40 5.02 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 1.36 0.00 0.00 4 P 0.00 4.74 0.00 2.07 1.91 0.00 3.82 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 5 R 8.47 4.42 0.00 1.83 1.80 0.00 3.02 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 6 F 8.25 5.60 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 7 S 9.04 4.74 0.00 3.95 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 8 I 8.17 5.44 2.04 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 1.20 0.00 0.00 9 T 8.92 5.02 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 10 Q 8.66 5.16 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 11 D 8.87 5.25 0.00 2.89 2.90 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 12 E 8.90 4.24 0.00 2.33 2.29 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 2.31 2.32 0.00 13 E 8.29 4.24 0.00 1.76 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 14 F 9.05 5.13 0.00 2.24 1.99 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 15 I 8.38 4.46 1.37 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.41 0.61 0.00 0.00 16 F 9.40 4.86 0.00 2.95 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 17 L 9.24 4.69 0.00 1.74 1.62 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.84 4.53 0.00 1.79 1.57 0.00 1.59 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.48 1.04 7.81 19 I 8.32 4.68 1.36 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.38 0.49 0.00 0.00 20 F 8.75 5.00 0.00 2.96 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 21 I 8.32 4.56 1.77 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.26 0.00 0.00 22 S 8.88 4.77 0.00 4.03 3.86 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 23 N 8.74 4.20 0.00 2.85 2.86 0.00 0.00 6.96 7.45 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 24 I 7.55 3.97 1.55 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 -0.26 0.00 0.00 25 R 7.96 4.34 0.00 1.66 1.79 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 26 F 8.44 4.48 0.00 3.04 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 27 S 8.28 4.84 0.00 3.93 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 28 A 8.58 4.20 1.31 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 29 V 7.57 4.51 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 0.73 0.00 0.00 0.93 0.00 0.00 30 G 8.39 3.69 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 0.00 0.00 0.00 31 L 7.80 4.29 0.00 1.80 1.69 0.97 0.98 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 32 E 9.06 4.59 0.00 2.02 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 2.20 2.26 0.00 33 I 8.47 4.97 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.98 0.00 0.00 34 I 8.84 4.23 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 1.27 0.94 0.94 0.00 0.00 35 I 8.40 4.80 1.87 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 1.34 0.62 0.88 0.00 0.00 36 Q 8.36 4.51 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.27 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 37 E 8.90 3.70 0.00 2.22 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 0.00 2.31 2.29 0.00 38 N 8.79 5.40 0.00 3.15 3.03 0.00 0.00 6.71 7.68 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 *40 I 7.28 4.41 2.12 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 1.37 0.73 0.97 0.00 0.00 41 I 9.03 4.83 1.90 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 1.14 1.14 0.82 0.00 0.00 42 F 8.66 5.23 0.00 3.05 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 43 H 8.80 5.13 0.00 3.28 3.05 0.00 5.82 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.62 4.49 0.00 1.10 1.28 0.80 0.39 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 45 S 8.34 4.36 0.00 3.80 3.69 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 46 P 0.00 4.75 0.00 2.01 1.96 0.00 3.27 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.66 0.00 47 Y 8.42 5.24 0.00 3.15 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 48 Y 9.29 5.41 0.00 3.06 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 49 L 7.70 4.28 0.00 1.82 1.48 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.42 4.67 0.00 1.77 1.81 0.00 3.27 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 51 L 8.55 4.94 0.00 1.33 0.92 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.87 4.87 0.00 1.79 2.01 0.00 2.73 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 53 F 9.59 4.71 0.00 3.24 3.34 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 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 1.64 2.07 0.00 4.02 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 2.16 2.16 0.00 55 H 7.33 4.55 0.00 1.97 2.89 0.00 5.59 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 56 E 8.67 5.04 0.00 1.94 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 2.42 2.34 0.00 57 L 9.05 5.21 0.00 1.39 1.56 0.34 -0.10 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 58 I 8.31 4.58 1.85 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 1.10 0.86 0.86 0.00 0.00 59 D 8.78 4.76 0.00 2.76 2.58 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 0.00 60 D 7.96 4.67 0.00 2.87 2.73 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 61 E 8.84 4.08 0.00 2.10 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 0.00 2.28 2.35 0.00 62 R 8.16 4.00 0.00 2.14 2.34 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 63 S 7.60 4.38 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 64 T 9.03 4.80 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 1.10 0.00 0.00 65 A 8.40 5.32 1.22 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 0.00 0.00 66 Q 8.60 4.45 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 67 Y 8.74 4.75 0.00 3.01 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 68 D 8.59 4.63 0.00 2.51 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 0.00 0.00 0.00 0.00 69 S 8.26 4.13 0.00 4.17 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 70 K 7.63 3.86 0.00 1.69 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.46 7.81 71 D 9.50 4.51 0.00 2.58 2.76 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 72 E 7.60 3.87 0.00 2.33 2.27 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 2.38 2.61 0.00 73 C 7.88 5.05 0.00 2.60 2.36 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 74 I 8.57 4.81 1.87 0.00 0.00 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 1.62 1.06 1.03 0.00 0.00 75 N 9.08 4.98 0.00 2.60 2.72 0.00 0.00 6.09 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 76 V 8.81 4.75 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 0.96 0.00 0.00 0.90 0.00 0.00 77 K 9.06 4.82 0.00 1.68 1.40 0.00 1.35 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.67 7.81 78 V 8.28 4.73 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 0.73 0.00 0.00 0.84 0.00 0.00 79 A 8.61 4.51 1.08 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 0.00 0.00 80 K 7.99 4.15 0.00 1.66 1.79 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 1.10 7.81 81 L 8.53 3.95 0.00 1.61 1.85 0.91 1.30 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 82 N 7.91 4.82 0.00 3.00 2.71 0.00 0.00 6.68 6.90 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 83 K 8.46 4.00 0.00 1.62 1.68 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 84 N 9.11 4.29 0.00 2.89 2.97 0.00 0.00 6.92 7.79 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 85 E 7.91 4.21 0.00 2.02 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 0.00 2.19 2.14 0.00 86 Y 8.72 4.33 0.00 3.02 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 87 F 8.27 4.52 0.00 2.93 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 88 E 8.50 4.28 0.00 2.23 2.30 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 2.35 2.31 0.00 89 D 8.69 4.83 0.00 2.91 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 90 L 7.45 4.21 0.00 1.77 1.85 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.14 4.74 0.00 2.83 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 92 L 7.58 4.82 0.00 1.84 1.63 0.99 1.07 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 93 P 0.00 4.31 0.00 2.08 1.82 0.00 3.56 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 1.98 1.90 0.00 94 T 7.82 3.82 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 95 K 7.52 4.04 0.00 1.92 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 96 L 7.82 4.24 0.00 1.73 1.47 0.99 0.36 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 97 L 7.56 4.33 0.00 1.83 1.62 1.26 1.26 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 * Residues marked with a * may have inaccurate shift predictions.