NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2010 8.0427 120.7679 55.2887 41.9915 176.9647 5 H 4.0535 8.8060 122.9668 53.0988 29.0500 172.8531 6 S 4.1655 8.2413 113.8348 59.0130 64.5050 175.3514 7 K 3.9977 8.8408 121.9388 59.9332 31.8288 178.8261 8 N 4.3246 8.1116 115.9427 56.5125 38.8178 177.6019 9 V 3.7062 7.7869 119.1716 65.3119 31.5610 177.6027 10 K 4.2161 7.9731 119.3728 58.9707 32.3747 178.4000 11 G 3.8575 8.3495 105.2647 46.4525 0.0000 174.8818 12 F 4.3271 8.1774 123.4849 61.2498 39.4865 177.3126 13 L 3.7584 7.4588 116.2523 57.6813 41.6575 179.2859 14 E 4.0851 8.0414 118.4477 59.1958 29.3436 178.4479 15 N 4.4113 7.5679 115.3145 55.9371 37.7651 176.1873 16 T 4.0301 7.4227 115.8335 65.4545 68.5341 176.6337 17 L 4.1746 7.6041 120.4014 56.0566 41.9752 177.5796 18 K 3.8264 6.6201 115.8117 55.9880 32.5974 174.6233 19 P 4.4720 0.0000 0.0000 62.6879 32.0563 174.9341 20 Y 4.3703 8.3273 120.2974 56.0414 39.6168 174.2985 21 D 4.7239 8.2809 127.6491 53.1399 41.9354 175.7085 22 L 4.6259 8.5098 124.4462 53.4857 43.0508 175.4395 23 H 4.7939 8.6279 120.7640 55.4494 30.9509 175.0782 24 S 3.6353 8.5720 120.6647 59.4437 60.2527 172.2099 25 V 3.9392 7.2416 117.6897 61.6954 33.0681 174.1929 26 D 4.8264 8.0557 124.7330 52.5600 42.2618 176.1017 27 F 5.1601 8.4986 121.8962 55.6048 42.6537 174.2059 28 K 4.5815 8.6996 123.8808 54.7140 34.1896 176.4555 29 T 4.0620 7.9385 113.0890 60.2356 70.2761 173.8106 30 S 4.4165 7.9079 116.9892 57.7137 64.2274 173.2046 31 S 4.7651 8.0939 114.6152 56.3968 64.4533 173.6265 32 L 4.1087 8.2418 121.5087 55.7039 42.1934 177.0694 33 Q 4.4714 8.7983 117.2186 57.6022 30.4261 176.3137 34 S 5.6731 7.8032 113.6315 55.6359 67.5566 173.1226 35 S 5.1547 8.7421 117.0714 57.0973 64.7342 172.2269 36 M 5.4142 9.6074 126.7847 53.4297 36.2865 174.9495 37 I 5.0665 8.5514 121.5400 59.5550 40.4971 174.7444 38 I 5.1096 8.4305 120.5371 58.6042 41.2347 175.0502 39 T 4.0821 8.3448 114.5752 61.9420 68.8430 174.9391 40 A 3.6778 8.1170 127.9931 55.4889 18.4067 178.4796 41 T 3.9902 7.7869 110.9124 66.8205 68.5903 174.3622 42 N 4.9122 7.9033 114.9505 52.2067 40.8176 174.9155 43 G 3.6899 8.3371 106.3038 45.7160 0.0000 174.6614 44 G 3.6878 8.6026 108.7233 45.4537 0.0000 172.8509 45 I 3.9696 8.3803 127.7879 61.8261 37.2118 176.0085 46 L 4.1663 9.2606 130.1764 57.6168 42.3902 176.6286 47 S 4.7971 7.6499 111.4681 57.1340 66.5569 171.0653 48 Y 5.5202 8.0081 118.6382 57.6201 40.2237 172.8400 49 A 4.9069 8.3233 120.1674 51.3028 22.8659 175.9706 50 T 5.7322 8.1622 108.6548 59.7339 71.3805 173.4577 51 S 4.6461 8.8115 116.6198 59.0134 65.1215 174.3542 52 N 4.7634 7.6612 114.1458 52.9464 40.6951 182.7643 *65 S 4.4079 7.9421 114.0696 58.3938 64.9983 175.2063 66 V 3.5280 8.2271 116.6605 66.5642 31.1228 177.8947 67 N 4.2935 7.8578 115.5732 55.6265 37.8298 176.1557 68 N 4.1342 8.0443 117.4423 57.1407 39.0703 176.8472 69 L 3.9183 7.6806 119.5216 57.9669 41.7675 179.4809 70 K 3.7836 7.7973 117.8297 59.8640 31.9137 178.8686 71 M 3.9746 7.9981 118.7553 58.9688 31.8508 178.9049 72 M 4.0425 7.6378 117.6461 58.6524 31.9477 178.7186 73 S 3.8054 8.1514 115.4753 61.6202 62.8736 176.7427 74 L 4.0910 7.9434 122.3873 57.5269 42.1335 178.1822 75 L 3.9701 8.0034 120.4100 58.4743 41.9056 178.9041 76 I 3.8352 8.6006 120.3519 64.4476 37.1336 178.0300 77 K 3.8243 7.7074 118.9354 60.1957 31.8845 177.9259 78 D 4.3237 8.5362 119.1106 57.4040 40.6053 178.5880 79 K 3.9697 7.9214 121.0567 58.8199 32.2664 177.9396 80 W 3.9121 8.3722 129.5572 60.1293 30.5732 177.9639 81 S 3.6776 8.6585 115.4458 60.8007 61.3876 176.0541 82 E 3.9719 8.0850 120.4467 57.6623 28.8309 177.6258 83 D 4.7287 7.9016 118.5898 54.3746 42.7608 176.9114 84 E 4.1199 7.1994 116.7356 56.9914 29.7586 175.5239 85 N 4.6993 7.1592 112.5960 55.6658 41.0301 175.5254 86 D 4.1942 7.4609 116.7786 55.2474 41.5144 176.7535 87 T 3.7146 7.3199 116.1737 62.2595 67.7563 170.5018 *91 H 4.6041 8.2772 117.9062 56.2747 29.8121 173.7897 92 S 4.4539 8.3225 115.1925 59.8237 66.5709 175.4320 93 N 4.3228 8.0595 116.3213 56.1813 38.6536 175.7503 94 S 4.5740 7.7872 109.4488 58.6198 62.9416 172.2869 95 C 4.7554 7.7268 118.3483 58.4947 32.7484 173.2994 96 Y 4.7598 8.6883 122.6810 54.9325 38.4428 172.0761 97 P 4.6123 0.0000 0.0000 63.0826 32.6695 176.4021 98 V 4.6316 8.7666 114.6169 60.3233 37.1059 173.5909 99 E 5.0467 8.6588 120.2279 54.7696 32.4140 175.6237 100 I 4.4464 8.5096 124.4911 60.8431 40.5176 175.3933 101 D 4.2542 9.6225 124.2313 55.9760 38.0694 173.7001 102 S 3.6696 8.2182 109.5011 59.3867 61.8302 171.2721 *103 F 4.8796 8.1948 118.8093 55.4278 41.3162 179.0452 104 K 5.1793 8.2507 120.1744 54.3745 34.7259 176.0156 105 T 4.9141 8.4126 115.3120 62.6088 73.6811 172.8703 106 K 4.8131 8.7873 122.0489 54.7009 35.7871 175.0201 107 I 4.9558 7.7929 123.2320 59.8134 39.9763 174.3535 108 Y 5.5042 9.2931 123.9060 56.5111 41.9364 174.7645 109 T 5.5637 7.8184 111.6948 59.5413 71.9909 173.0052 110 Y 4.7730 8.1327 118.5492 57.2288 42.2960 171.5075 111 E 5.2804 8.7630 128.4017 54.8314 31.2660 174.7860 112 M 4.2877 7.7629 123.5067 53.8355 32.8445 174.7778 113 E 3.6769 9.0305 126.8968 57.5556 27.4941 173.3493 114 D 5.3568 7.9958 109.4213 54.9777 38.8896 174.0526 115 L 4.8234 7.2035 116.6753 53.3043 46.5775 175.4657 116 H 5.3681 9.0267 118.7776 53.8156 30.8885 174.3773 117 T 5.3576 8.7372 112.4286 60.2587 72.9944 172.5123 118 C 6.0029 8.9338 118.4573 57.5939 32.7569 173.7382 119 V 5.0828 8.8736 115.3494 58.4685 35.1120 174.4430 120 A 5.7986 8.1918 124.8015 50.0623 22.8547 174.4991 121 Q 4.8335 8.7803 120.4551 54.7992 31.5184 174.6222 122 I 4.4789 8.4304 125.2924 58.9120 38.8025 175.1261 123 P 4.2344 0.0000 0.0000 66.0022 31.6091 177.4986 124 N 4.4573 8.3798 115.2053 55.7800 38.6930 175.9796 125 S 4.5244 7.8418 110.6400 57.6168 64.3255 174.8415 126 D 4.4187 8.4535 119.7766 54.8156 38.9849 173.6187 127 L 4.5094 7.1434 119.7174 54.1394 43.9001 175.3194 128 L 4.8270 8.6942 119.9646 52.9229 44.2714 175.9047 129 L 4.8845 8.8677 125.6450 53.8756 44.4326 174.9693 130 L 5.5459 8.8440 126.0539 53.5286 46.0009 174.4486 131 F 5.7821 8.7245 123.6984 55.9120 42.8890 174.1383 132 I 5.1235 8.6260 121.6690 59.7671 41.1150 174.4093 133 A 4.7593 8.9036 126.7359 50.3760 23.0722 174.9469 134 E 4.2212 8.8919 118.8878 56.6003 30.8035 178.1773 135 G 3.5434 8.4066 107.1555 45.6202 0.0000 174.4759 136 S 4.5062 7.8016 112.2813 57.5389 63.7963 173.4293 137 F 4.3138 7.6329 123.9216 56.1458 39.6182 173.5283 138 P 4.2391 0.0000 0.0000 63.2904 31.6469 176.1309 139 Y 4.3766 8.8090 122.0963 61.3091 37.7844 179.1370 140 G 3.7830 8.2808 105.7271 48.1285 0.0000 175.6137 141 L 4.1676 8.0585 121.6305 56.9002 41.5210 179.4431 142 L 3.9867 8.1383 120.6273 58.1805 42.1190 179.0794 143 V 3.4267 8.1051 118.6012 66.0382 31.2631 178.0638 144 I 3.7207 7.8156 119.5177 64.2046 37.0803 178.2949 145 K 4.0359 8.5626 120.8678 59.6954 32.0018 178.7260 146 I 3.8129 8.3148 119.1248 63.5833 37.8020 177.3974 147 E 3.8946 8.1244 120.4911 59.5639 29.4934 179.1754 148 R 3.9926 7.9477 117.4359 58.9078 29.9729 178.8921 149 A 4.0918 7.9487 120.4822 55.4894 18.4258 179.4960 150 M 3.9716 8.2367 117.2241 58.6643 31.9893 178.6073 151 R 3.8776 7.8845 118.5336 59.7981 30.0203 177.9385 152 E 4.2088 8.4423 119.8783 58.8183 29.9318 178.3387 153 L 4.2398 8.3459 120.9803 58.3976 42.3847 178.9730 154 T 4.0899 8.9110 116.0968 66.5418 68.2593 176.4634 155 D 4.4204 8.5057 121.5575 57.2521 40.7013 177.9342 156 L 4.4343 7.6623 115.5940 54.4838 41.8242 177.2975 157 F 4.6013 7.9590 118.3451 56.1855 41.2812 174.7575 158 G 3.7728 8.4595 113.8371 45.6389 0.0000 170.9387 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 4 L 8.04 4.20 0.00 1.59 1.66 0.92 0.52 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 5 H 8.81 4.05 0.00 3.39 3.47 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.24 4.17 0.00 4.08 4.03 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 7 K 8.84 4.00 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.59 7.81 8 N 8.11 4.32 0.00 2.71 2.85 0.00 0.00 6.73 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 9 V 7.79 3.71 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 1.03 0.00 0.00 0.89 0.00 0.00 10 K 7.97 4.22 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.80 7.81 11 G 8.35 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 0.00 0.00 0.00 12 F 8.18 4.33 0.00 3.28 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 13 L 7.46 3.76 0.00 1.87 1.71 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.04 4.09 0.00 2.03 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 0.00 2.31 2.29 0.00 15 N 7.57 4.41 0.00 2.61 3.00 0.00 0.00 7.28 7.58 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 16 T 7.42 4.03 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 1.04 0.00 0.00 17 L 7.60 4.17 0.00 1.70 1.71 0.90 0.66 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 18 K 6.62 3.83 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 19 P 0.00 4.47 0.00 2.06 2.04 0.00 3.64 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 2.03 2.08 0.00 20 Y 8.33 4.37 0.00 2.94 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 21 D 8.28 4.72 0.00 2.58 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 22 L 8.51 4.63 0.00 1.71 1.64 1.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.63 4.79 0.00 3.14 3.21 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.57 3.64 0.00 3.95 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 25 V 7.24 3.94 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 -0.36 0.00 0.00 0.85 0.00 0.00 26 D 8.06 4.83 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 5.16 0.00 2.98 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 28 K 8.70 4.58 0.00 1.71 1.68 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 29 T 7.94 4.06 3.40 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 0.85 0.00 0.00 30 S 7.91 4.42 0.00 4.01 3.91 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 31 S 8.09 4.77 0.00 4.00 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 32 L 8.24 4.11 0.00 1.51 1.51 0.03 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.80 4.47 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 34 S 7.80 5.67 0.00 3.73 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 35 S 8.74 5.15 0.00 3.78 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 36 M 9.61 5.41 0.00 1.96 1.93 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 2.56 2.63 0.00 37 I 8.55 5.07 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.83 0.00 0.00 38 I 8.43 5.11 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.88 0.00 0.00 39 T 8.34 4.08 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 1.24 0.00 0.00 40 A 8.12 3.68 1.30 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 0.00 0.00 0.00 0.00 0.00 41 T 7.79 3.99 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 1.22 0.00 0.00 42 N 7.90 4.91 0.00 2.65 2.79 0.00 0.00 7.06 7.65 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 43 G 8.34 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 44 G 8.60 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 45 I 8.38 3.97 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 1.07 0.00 0.00 46 L 9.26 4.17 0.00 1.56 1.76 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.65 4.80 0.00 3.83 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 5.52 0.00 2.91 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 49 A 8.32 4.91 1.23 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 50 T 8.16 5.73 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 51 S 8.81 4.65 0.00 3.82 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 52 N 7.66 4.76 0.00 2.68 2.43 0.00 0.00 6.73 7.64 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 *65 S 7.94 4.41 0.00 4.00 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 66 V 8.23 3.53 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 0.89 0.00 0.00 0.91 0.00 0.00 67 N 7.86 4.29 0.00 2.79 2.74 0.00 0.00 6.40 6.80 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 68 N 8.04 4.13 0.00 2.79 3.06 0.00 0.00 6.97 6.66 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 69 L 7.68 3.92 0.00 1.74 1.51 0.48 0.81 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 70 K 7.80 3.78 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.69 7.81 71 M 8.00 3.97 0.00 2.03 2.32 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 2.61 2.85 0.00 72 M 7.64 4.04 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 73 S 8.15 3.81 0.00 3.95 3.92 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 74 L 7.94 4.09 0.00 1.77 1.65 0.95 0.55 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 75 L 8.00 3.97 0.00 2.03 1.85 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.60 3.84 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 1.03 0.00 0.00 77 K 7.71 3.82 0.00 1.91 2.04 0.00 1.89 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.51 7.81 78 D 8.54 4.32 0.00 3.03 2.67 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 0.00 0.00 0.00 0.00 79 K 7.92 3.97 0.00 1.32 1.60 0.00 1.31 0.00 0.00 0.76 0.00 0.00 2.51 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.90 7.81 80 W 8.37 3.91 0.00 3.28 3.28 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 81 S 8.66 3.68 0.00 3.88 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 82 E 8.09 3.97 0.00 2.01 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 2.24 2.48 0.00 83 D 7.90 4.73 0.00 1.99 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 0.00 0.00 0.00 0.00 84 E 7.20 4.12 0.00 1.16 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 0.00 0.00 0.00 2.01 2.29 0.00 85 N 7.16 4.70 0.00 2.77 2.65 0.00 0.00 6.88 7.94 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 86 D 7.46 4.19 0.00 2.73 2.85 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 87 T 7.32 3.71 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 1.28 0.00 0.00 *91 H 8.28 4.60 0.00 3.22 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.32 4.45 0.00 3.73 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 93 N 8.06 4.32 0.00 2.62 2.78 0.00 0.00 6.82 7.57 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 94 S 7.79 4.57 0.00 3.90 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 95 C 7.73 4.76 0.00 3.09 2.70 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 0.00 0.00 0.00 96 Y 8.69 4.76 0.00 2.81 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 P 0.00 4.61 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 98 V 8.77 4.63 2.10 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 0.73 0.00 0.00 0.99 0.00 0.00 99 E 8.66 5.05 0.00 1.91 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 0.00 2.21 2.30 0.00 100 I 8.51 4.45 1.89 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 1.32 0.84 0.96 0.00 0.00 101 D 9.62 4.25 0.00 2.79 2.70 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 0.00 0.00 0.00 102 S 8.22 3.67 0.00 3.99 3.92 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 *103 F 8.19 4.88 0.00 2.19 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 0.00 0.00 0.00 0.00 104 K 8.25 5.18 0.00 1.73 1.57 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 0.98 7.81 105 T 8.41 4.91 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 1.29 0.00 0.00 106 K 8.79 4.81 0.00 1.55 1.14 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 107 I 7.79 4.96 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.80 0.00 0.00 108 Y 9.29 5.50 0.00 2.96 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 0.00 109 T 7.82 5.56 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 1.20 0.00 0.00 110 Y 8.13 4.77 0.00 3.06 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 0.00 111 E 8.76 5.28 0.00 2.30 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 2.31 2.28 0.00 112 M 7.76 4.29 0.00 1.40 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 113 E 9.03 3.68 0.00 2.08 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 2.15 2.30 0.00 114 D 8.00 5.36 0.00 2.82 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 0.00 115 L 7.20 4.82 0.00 1.67 1.53 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 116 H 9.03 5.37 0.00 2.70 2.32 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.74 5.36 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 1.20 0.00 0.00 118 C 8.93 6.00 0.00 2.75 2.62 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 0.00 119 V 8.87 5.08 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 1.03 0.00 0.00 1.25 0.00 0.00 120 A 8.19 5.80 1.15 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 0.00 121 Q 8.78 4.83 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 122 I 8.43 4.48 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.89 0.00 0.00 123 P 0.00 4.23 0.00 2.19 2.20 0.00 3.77 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 2.00 2.01 0.00 124 N 8.38 4.46 0.00 2.72 2.94 0.00 0.00 6.73 7.57 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 0.00 125 S 7.84 4.52 0.00 3.76 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 0.00 126 D 8.45 4.42 0.00 2.87 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 0.00 127 L 7.14 4.51 0.00 1.63 1.58 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.69 4.83 0.00 1.27 1.06 -0.21 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.87 4.88 0.00 1.60 1.32 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.84 5.55 0.00 1.63 1.56 1.00 0.77 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 0.00 131 F 8.72 5.78 0.00 2.85 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 0.00 132 I 8.63 5.12 1.86 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 1.18 1.07 0.88 0.00 0.00 133 A 8.90 4.76 0.96 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 0.00 0.00 134 E 8.89 4.22 0.00 1.96 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 2.29 0.00 135 G 8.41 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.80 4.51 0.00 3.92 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 0.00 137 F 7.63 4.31 0.00 3.02 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 0.00 138 P 0.00 4.24 0.00 2.20 2.03 0.00 3.22 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 139 Y 8.81 4.38 0.00 3.01 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 0.00 140 G 8.28 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 0.00 141 L 8.06 4.17 0.00 2.02 1.86 0.80 0.53 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 0.00 142 L 8.14 3.99 0.00 1.99 1.87 -0.03 0.72 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 0.00 143 V 8.11 3.43 1.91 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 0.37 0.00 0.00 0.29 0.00 0.00 144 I 7.82 3.72 2.07 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 1.58 1.54 0.96 0.00 0.00 145 K 8.56 4.04 0.00 2.20 2.11 0.00 1.82 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.56 7.81 146 I 8.31 3.81 1.52 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.87 0.00 0.00 147 E 8.12 3.89 0.00 2.20 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 2.32 2.52 0.00 148 R 7.95 3.99 0.00 1.93 2.01 0.00 3.24 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 149 A 7.95 4.09 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 150 M 8.24 3.97 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.76 0.00 151 R 7.88 3.88 0.00 1.98 2.14 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 152 E 8.44 4.21 0.00 1.99 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 2.38 2.30 0.00 153 L 8.35 4.24 0.00 2.02 1.80 0.89 0.69 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 0.00 154 T 8.91 4.09 4.48 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 1.41 0.00 0.00 155 D 8.51 4.42 0.00 2.90 2.72 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 0.00 156 L 7.66 4.43 0.00 1.27 1.11 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.96 4.60 0.00 2.97 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 0.00 158 G 8.46 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 * Residues marked with a * may have inaccurate shift predictions.