NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.4911 7.8976 120.3612 61.9673 31.5192 173.9806 *13 P 4.2504 0.0000 0.0000 62.2962 32.1765 176.8023 14 A 4.4692 8.2320 123.0804 51.6275 20.1847 177.2444 15 C 4.9057 8.8220 116.5786 56.8696 41.8167 174.2564 16 T 4.5310 8.5949 118.6468 62.1926 69.1998 174.5367 17 V 4.1610 8.3151 127.1438 61.9209 32.7939 175.4298 18 S 4.5725 8.8081 124.7276 57.7192 63.5393 174.2836 19 N 4.4875 8.7424 121.9615 53.9077 38.9579 173.9175 20 T 4.6821 7.9496 114.4577 61.3560 70.7605 172.6477 21 T 4.5098 8.0787 119.0938 61.5301 71.9784 173.8829 22 V 3.8091 8.1919 125.1280 61.0532 32.2196 174.3066 23 D 4.8214 8.2216 127.3029 52.4087 42.2051 175.6796 24 W 4.4528 9.0697 126.0062 56.4359 30.7297 178.6715 25 Q 3.1886 8.4137 118.0608 57.2146 27.1469 174.1540 26 D 4.6304 8.6902 125.5599 54.8617 41.5725 175.7468 27 V 4.3824 8.1471 122.4880 60.8567 34.3062 174.5185 28 E 4.2086 8.8007 127.0636 55.9369 30.0842 177.2505 29 I 3.6191 8.7306 125.5769 64.7176 37.2334 178.3232 30 Q 4.0519 8.0915 116.8343 58.2781 28.5583 177.1200 31 T 4.4232 7.8246 106.8824 61.3338 69.4288 175.0284 32 L 4.4986 7.9111 123.1546 54.7749 42.6177 176.0252 33 S 4.8191 8.6900 116.4931 56.2386 64.4154 174.4581 34 Q 2.7131 8.6018 128.5774 58.9663 28.7294 177.6694 35 N 4.2956 7.8103 113.3711 53.7877 39.3766 174.8667 36 G 4.2620 8.2849 107.0355 45.9155 0.0000 173.1254 37 N 4.6685 9.2872 121.3260 53.5965 39.4243 173.8158 38 H 4.2846 8.9719 109.5441 56.8958 26.4389 174.5857 39 E 4.5074 8.4734 118.9181 57.0018 30.2987 176.2032 40 K 4.7410 9.6882 125.5954 54.7577 36.3177 175.0510 41 E 5.0084 8.8871 124.0387 55.3143 30.9756 175.3998 42 F 5.1636 8.9791 118.1629 55.5988 41.9198 173.2420 43 T 5.1132 8.6679 109.2548 59.9665 71.6395 173.3591 44 V 4.5435 8.5888 122.3845 61.4308 34.7924 174.5772 45 N 5.5702 8.6253 123.9077 50.7964 42.2197 173.4978 *47 R 4.3271 8.1921 118.9437 56.8902 31.4634 174.6567 48 C 5.0275 9.1781 125.0529 54.0651 40.3291 171.8013 49 P 4.0818 0.0000 0.0000 64.7823 31.2913 175.9604 50 Y 4.5271 7.8911 119.2172 55.9688 38.8820 174.4724 51 N 3.2154 7.6460 127.1522 51.7139 37.9241 174.3062 52 L 4.0966 6.3363 117.7976 55.8434 43.7711 178.3164 53 G 4.1380 8.7029 108.1345 45.7906 0.0000 170.9134 54 T 4.6562 8.1929 112.8630 61.1026 72.8358 174.0815 *56 K 4.1974 8.5327 118.1672 56.1929 34.0215 174.9911 57 V 4.6294 8.2027 124.6096 61.1615 34.7381 174.2784 58 T 5.0008 8.7482 123.0842 61.8550 72.1077 172.7174 59 I 5.2074 8.6670 126.9728 59.7337 40.1562 174.7384 60 T 5.0982 9.0709 116.1670 60.0034 72.3431 172.6286 61 A 4.9912 8.3261 122.8992 50.7783 22.0498 176.4168 62 T 4.0087 8.7198 109.7191 63.4168 69.6824 174.8433 63 N 4.9115 8.0724 120.3631 51.2912 40.1613 173.5662 64 T 5.1240 8.0481 112.1330 60.2764 72.4279 172.8734 65 Y 4.4456 9.1507 121.0864 57.8665 41.6480 173.8080 66 N 4.0133 9.1716 126.9140 54.7595 37.3149 173.3672 67 N 4.1920 8.3985 108.1426 53.8378 36.3499 173.9189 68 A 4.6473 7.5005 118.6603 49.7824 22.7889 176.3053 69 I 4.2379 8.3495 121.3112 60.8860 38.5502 175.0240 70 L 4.6513 8.4965 130.4340 53.7647 42.6614 176.1586 71 V 3.8698 8.4396 128.3583 62.3816 30.7303 176.2025 72 Q 4.1124 8.7931 126.8747 56.8727 29.2745 175.6468 73 N 4.4275 8.6781 114.9485 54.8315 36.2674 175.1011 74 T 4.4623 6.9472 105.9326 61.0587 69.3947 173.3983 75 S 4.6583 7.3724 113.2739 58.3169 64.7881 174.5947 76 N 4.7728 8.7481 121.9104 53.4716 39.5707 175.5839 77 T 3.8464 7.6771 115.8718 64.6280 68.0811 175.2228 *80 D 4.1640 8.5527 122.9032 54.4730 43.1872 176.3986 81 G 3.8288 7.2988 107.6005 43.9718 0.0000 172.0306 82 L 4.4729 8.1972 122.7807 55.0280 43.3556 176.7130 83 L 5.1421 8.9061 124.5007 52.8010 45.8086 175.5817 84 V 4.6820 8.3600 122.3041 61.4713 34.0034 173.7115 85 Y 4.8555 9.1289 126.4426 56.5243 40.2031 174.8227 86 L 5.5081 8.3592 122.4511 53.4122 45.2277 174.9817 87 Y 5.0538 9.1974 119.0289 56.1812 42.7598 174.6570 88 N 5.0376 9.2940 121.8356 53.4276 41.0465 173.4587 89 S 5.2051 8.5674 115.0607 56.5193 66.4632 173.0170 90 N 5.0433 9.3560 120.3620 52.2254 39.2977 173.9253 91 A 3.8705 9.6731 131.1422 52.7892 16.3090 178.1576 92 G 4.0159 8.6126 108.6907 46.3629 0.0000 173.9439 93 N 4.8199 7.9870 117.8053 51.1184 40.1929 174.4607 94 I 3.4071 8.1256 121.9692 61.3060 39.2558 175.7551 95 G 4.3422 8.3426 115.5071 46.0358 0.0000 173.1422 96 T 4.2624 8.5858 119.6530 63.2829 69.5802 174.1388 97 A 4.0202 8.7441 127.6407 52.3736 19.2634 176.5690 98 I 4.0122 8.0733 121.8604 60.1572 38.7065 175.7799 99 T 4.3546 8.2022 123.3894 62.0159 69.3380 174.2956 100 L 4.1676 8.6150 127.9813 56.1930 41.9076 177.6942 101 G 4.0543 9.3363 113.0260 44.8591 0.0000 173.0007 102 T 4.8492 7.1667 109.7626 58.7564 71.0368 172.6036 103 P 5.3393 0.0000 0.0000 62.9324 32.4424 175.1874 104 F 4.9932 7.9973 114.3688 56.1438 41.5512 172.8629 105 T 4.6139 8.4696 117.0965 61.2373 69.4867 173.1873 106 P 4.6674 0.0000 0.0000 63.0770 31.7974 176.9756 107 G 4.2345 9.1595 111.2916 46.3171 0.0000 173.3396 108 K 4.5377 7.8976 120.8597 54.7296 35.1450 174.8569 109 I 5.2174 8.4545 127.8640 59.7403 40.6453 174.9928 110 T 4.5820 9.4189 116.8128 60.1856 72.3783 174.0016 111 G 4.3866 8.8349 109.7616 47.1380 0.0000 173.6207 112 N 4.6575 8.6617 121.8594 54.5703 40.2740 176.1261 113 N 4.8589 7.6186 116.8367 53.2563 37.6910 176.9616 114 A 4.0363 8.5191 126.4433 55.2684 19.0563 176.3504 115 D 5.0142 7.9788 116.1344 53.8722 41.0773 175.9572 116 K 4.8803 8.5671 123.0980 55.0659 35.6034 175.7820 117 T 5.1946 8.7585 118.6110 61.9446 72.5714 173.1320 118 I 4.9766 8.8043 119.6471 59.2074 40.9248 174.4579 119 S 5.1466 8.3880 119.4877 56.9616 65.1426 173.3938 120 L 4.8084 8.2441 122.7884 53.3853 46.6356 174.7206 121 H 5.6135 9.2397 115.6521 54.2858 32.9173 173.0316 122 A 5.7719 9.6639 122.3670 50.5736 22.9161 175.2226 123 K 5.3097 9.6082 118.4370 54.8380 37.1368 175.2144 124 L 4.8477 9.0632 123.0776 53.4989 44.0258 176.2199 125 G 4.4303 9.0012 110.4166 46.1548 0.0000 170.4358 126 Y 5.3361 7.8242 115.9458 55.9792 41.3322 173.9543 127 K 4.3903 9.4655 122.4456 55.8886 34.5323 176.8954 128 G 4.0849 8.8204 113.0283 45.7161 0.0000 171.0690 129 N 4.8467 8.2638 120.1772 53.0472 39.0948 176.1109 *131 Q 4.1876 8.5208 119.2696 56.6346 30.6690 175.3750 132 N 4.6693 7.9701 113.7454 53.0742 39.2732 175.2829 133 L 4.2845 7.5079 119.2709 54.8641 42.3475 176.4663 134 I 4.2812 8.4410 125.1853 60.1397 37.9727 175.9385 135 A 4.1460 8.4908 128.8625 52.4392 19.4989 175.5468 136 G 3.6920 8.8054 104.1617 43.2449 0.0000 171.9054 137 P 4.3307 0.0000 0.0000 62.4730 31.7621 176.0646 138 F 5.0848 7.8772 116.3196 55.3587 40.9318 173.9308 139 S 4.7081 8.5652 114.6346 57.6266 65.0661 173.2429 140 A 4.7999 8.2694 127.2333 51.2809 21.9852 175.6878 141 T 4.7052 8.3095 115.1841 61.6461 72.2271 173.4795 142 A 4.9890 8.4205 125.2815 50.5393 22.5173 175.2391 143 T 4.6246 8.9897 116.7152 61.9346 71.0533 173.7660 144 L 5.2075 8.4694 126.3997 53.4623 44.9357 175.7469 145 V 4.7080 8.8004 118.6883 59.6774 35.5091 174.5495 146 A 5.4093 8.4885 123.5814 50.3923 22.6968 175.0988 147 S 4.9240 8.1878 113.2112 57.5459 65.7686 173.7591 148 Y 4.2348 9.0896 120.0811 59.0194 38.8199 175.8470 149 S 4.0646 9.1984 119.8615 59.1785 63.7238 171.8705 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 V 7.90 3.49 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 0.37 0.00 0.00 0.60 0.00 0.00 *13 P 0.00 4.25 0.00 2.27 2.08 0.00 3.26 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 14 A 8.23 4.47 1.35 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 0.00 0.00 0.00 15 C 8.82 4.91 0.00 2.93 3.18 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 0.00 0.00 0.00 0.00 16 T 8.59 4.53 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 1.23 0.00 0.00 17 V 8.32 4.16 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 0.83 0.00 0.00 1.00 0.00 0.00 18 S 8.81 4.57 0.00 3.94 3.80 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 19 N 8.74 4.49 0.00 2.72 2.77 0.00 0.00 6.76 7.54 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 20 T 7.95 4.68 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 1.34 0.00 0.00 21 T 8.08 4.51 4.20 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 1.17 0.00 0.00 22 V 8.19 3.81 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 23 D 8.22 4.82 0.00 2.57 2.45 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 24 W 9.07 4.45 0.00 3.56 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 25 Q 8.41 3.19 0.00 2.19 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 26 D 8.69 4.63 0.00 2.71 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 27 V 8.15 4.38 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 0.65 0.00 0.00 1.11 0.00 0.00 28 E 8.80 4.21 0.00 2.11 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 2.43 2.37 0.00 29 I 8.73 3.62 1.82 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 1.33 0.60 0.76 0.00 0.00 30 Q 8.09 4.05 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 31 T 7.82 4.42 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 1.26 0.00 0.00 32 L 7.91 4.50 0.00 1.86 1.91 0.83 0.62 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 33 S 8.69 4.82 0.00 3.86 3.81 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 34 Q 8.60 2.71 0.00 1.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.73 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 35 N 7.81 4.30 0.00 2.60 2.72 0.00 0.00 7.18 7.98 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 36 G 8.28 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 0.00 0.00 0.00 37 N 9.29 4.67 0.00 2.82 2.91 0.00 0.00 6.68 8.61 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 38 H 8.97 4.28 0.00 3.44 3.74 0.00 5.71 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.47 4.51 0.00 2.02 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 2.39 2.39 0.00 40 K 9.69 4.74 0.00 1.47 1.45 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.25 1.56 7.81 41 E 8.89 5.01 0.00 1.81 1.73 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 2.12 2.33 0.00 42 F 8.98 5.16 0.00 2.99 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 43 T 8.67 5.11 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 1.19 0.00 0.00 44 V 8.59 4.54 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 1.11 0.00 0.00 1.13 0.00 0.00 45 N 8.63 5.57 0.00 2.69 2.73 0.00 0.00 7.21 7.66 0.00 0.00 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 R 8.19 4.33 0.00 1.94 1.88 0.00 3.12 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 48 C 9.18 5.03 0.00 2.81 3.23 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 49 P 0.00 4.08 0.00 2.09 2.16 0.00 3.70 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 2.06 2.11 0.00 50 Y 7.89 4.53 0.00 2.86 2.91 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 51 N 7.65 3.22 0.00 1.84 2.27 0.00 0.00 6.28 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 52 L 6.34 4.10 0.00 1.13 1.44 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.70 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 0.00 0.00 0.00 0.00 54 T 8.19 4.66 4.18 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 0.00 0.00 0.00 1.23 0.00 0.00 *56 K 8.53 4.20 0.00 1.61 1.70 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.33 7.81 57 V 8.20 4.63 0.67 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 0.91 0.00 0.00 0.60 0.00 0.00 58 T 8.75 5.00 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 1.25 0.00 0.00 59 I 8.67 5.21 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 1.07 0.00 0.00 60 T 9.07 5.10 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 1.24 0.00 0.00 61 A 8.33 4.99 1.20 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 0.00 0.00 62 T 8.72 4.01 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 63 N 8.07 4.91 0.00 2.91 2.75 0.00 0.00 6.63 7.05 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 64 T 8.05 5.12 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 1.21 0.00 0.00 65 Y 9.15 4.45 0.00 2.92 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 66 N 9.17 4.01 0.00 1.83 2.30 0.00 0.00 7.27 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 67 N 8.40 4.19 0.00 2.89 2.87 0.00 0.00 6.89 7.35 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 68 A 7.50 4.65 0.25 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 0.00 0.00 0.00 69 I 8.35 4.24 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.91 0.00 0.00 70 L 8.50 4.65 0.00 1.62 1.57 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.44 3.87 1.90 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 0.87 0.00 0.00 0.79 0.00 0.00 72 Q 8.79 4.11 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.15 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 73 N 8.68 4.43 0.00 2.88 2.90 0.00 0.00 6.80 7.54 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 74 T 6.95 4.46 4.13 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 1.16 0.00 0.00 75 S 7.37 4.66 0.00 3.73 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 76 N 8.75 4.77 0.00 2.72 2.81 0.00 0.00 6.92 7.54 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 77 T 7.68 3.85 4.20 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 1.21 0.00 0.00 *80 D 8.55 4.16 0.00 2.78 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 81 G 7.30 3.83 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 0.00 0.00 0.00 82 L 8.20 4.47 0.00 1.48 1.23 0.67 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.91 5.14 0.00 1.37 1.11 1.13 0.76 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 84 V 8.36 4.68 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 1.25 0.00 0.00 0.77 0.00 0.00 85 Y 9.13 4.86 0.00 3.22 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 86 L 8.36 5.51 0.00 1.56 1.63 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.20 5.05 0.00 2.87 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 88 N 9.29 5.04 0.00 2.49 2.66 0.00 0.00 6.88 7.67 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 89 S 8.57 5.21 0.00 3.97 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 90 N 9.36 5.04 0.00 2.64 2.69 0.00 0.00 7.23 8.91 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 91 A 9.67 3.87 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 92 G 8.61 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 0.00 0.00 0.00 93 N 7.99 4.82 0.00 2.92 2.68 0.00 0.00 6.47 7.28 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 94 I 8.13 3.41 1.56 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.43 0.72 0.00 0.00 95 G 8.34 4.34 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 0.00 0.00 0.00 96 T 8.59 4.26 4.21 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 1.19 0.00 0.00 97 A 8.74 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.07 4.01 1.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.27 0.69 0.00 0.00 99 T 8.20 4.35 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 1.26 0.00 0.00 100 L 8.62 4.17 0.00 1.63 1.63 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.34 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 0.00 102 T 7.17 4.85 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 1.23 0.00 0.00 103 P 0.00 5.34 0.00 2.06 2.07 0.00 3.40 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 104 F 8.00 4.99 0.00 3.12 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 0.00 105 T 8.47 4.61 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 1.17 0.00 0.00 106 P 0.00 4.67 0.00 2.01 2.05 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 107 G 9.16 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 0.00 0.00 0.00 0.00 108 K 7.90 4.54 0.00 1.80 1.63 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 109 I 8.45 5.22 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.95 0.00 0.00 110 T 9.42 4.58 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 0.00 111 G 8.83 4.39 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 0.00 112 N 8.66 4.66 0.00 2.71 2.86 0.00 0.00 7.10 8.00 0.00 0.00 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 N 7.62 4.86 0.00 2.68 2.38 0.00 0.00 6.88 7.35 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 0.00 114 A 8.52 4.04 1.27 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 0.00 0.00 115 D 7.98 5.01 0.00 2.62 2.65 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 0.00 116 K 8.57 4.88 0.00 1.72 1.75 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.55 7.81 117 T 8.76 5.19 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 1.28 0.00 0.00 118 I 8.80 4.98 1.87 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 1.36 0.91 0.90 0.00 0.00 119 S 8.39 5.15 0.00 3.72 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.81 0.00 0.27 1.35 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 121 H 9.24 5.61 0.00 3.12 3.22 0.00 5.56 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 0.00 122 A 9.66 5.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 5.31 0.00 2.05 1.85 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.70 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.45 1.48 7.81 124 L 9.06 4.85 0.00 1.38 1.25 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.00 4.43 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 0.00 126 Y 7.82 5.34 0.00 2.93 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 0.00 127 K 9.47 4.39 0.00 1.53 1.55 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.39 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 0.81 7.81 128 G 8.82 4.08 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 0.00 129 N 8.26 4.85 0.00 2.74 2.65 0.00 0.00 6.84 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 *131 Q 8.52 4.19 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 132 N 7.97 4.67 0.00 2.79 2.80 0.00 0.00 6.99 7.39 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 0.00 133 L 7.51 4.28 0.00 1.37 1.48 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.44 4.28 1.86 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 1.13 0.55 0.90 0.00 0.00 135 A 8.49 4.15 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 0.00 136 G 8.81 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 0.00 137 P 0.00 4.33 0.00 2.05 1.95 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 138 F 7.88 5.08 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 0.00 139 S 8.57 4.71 0.00 3.80 3.75 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 0.00 140 A 8.27 4.80 1.25 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 0.00 0.00 0.00 141 T 8.31 4.71 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 1.24 0.00 0.00 142 A 8.42 4.99 1.27 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 0.00 0.00 143 T 8.99 4.62 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 0.00 144 L 8.47 5.21 0.00 1.68 1.56 1.07 0.92 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 0.00 145 V 8.80 4.71 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 0.66 0.00 0.00 0.95 0.00 0.00 146 A 8.49 5.41 1.12 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 0.00 0.00 147 S 8.19 4.92 0.00 3.92 3.83 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 0.00 148 Y 9.09 4.23 0.00 3.06 3.18 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 0.00 0.00 0.00 0.00 149 S 9.20 4.06 0.00 4.09 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 * Residues marked with a * may have inaccurate shift predictions.