NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2806 8.4444 120.2301 55.6763 30.9223 175.1544 6 Q 3.7571 8.6553 123.6991 55.8736 29.3754 174.7466 7 I 3.9974 9.0642 126.9207 63.4444 39.5331 175.6801 8 L 4.3672 7.8379 119.0628 54.6927 42.4490 176.9233 9 V 4.2775 8.8225 122.6517 61.3754 33.1000 174.3066 10 L 5.1082 8.4377 127.5634 53.0324 44.3082 174.6246 11 D 5.1950 8.7550 124.0456 51.4783 43.3055 173.8661 12 P 4.6692 0.0000 0.0000 61.9179 32.0395 174.9098 13 P 4.4425 0.0000 0.0000 64.9450 31.8129 176.5950 14 S 4.7734 7.6542 110.2002 58.5888 69.1936 173.9898 15 D 5.3096 8.0912 119.7350 52.3723 44.1788 174.9315 16 L 4.4959 9.2619 123.6790 53.1218 43.6377 175.4749 17 K 5.1168 8.3784 123.5820 54.8595 34.2433 175.8199 18 F 4.8370 9.8524 123.7385 55.5940 41.8778 174.1031 19 K 4.7092 8.7927 125.9148 54.6849 33.0355 176.3208 20 G 2.5879 7.8731 115.6124 44.2622 0.0000 170.6045 21 P 4.2001 0.0000 0.0000 62.2048 32.3880 175.9604 22 F 4.8415 8.0984 116.6066 57.4984 39.8505 177.4069 23 T 3.9861 8.0258 112.0280 63.0023 69.2343 173.0404 24 D 5.0416 7.5112 120.2041 51.5843 44.7628 175.2183 25 V 3.9998 8.3805 120.9035 63.0689 32.3174 175.0399 26 V 4.5061 8.6909 127.1993 61.4728 33.9950 174.1009 27 T 5.3682 8.7160 124.0401 62.2637 70.8280 173.7787 28 T 4.6315 9.0291 121.4827 61.7884 72.4460 172.5467 29 N 5.3078 8.5111 120.5046 51.4852 41.2171 174.0710 30 L 4.6657 8.8886 124.8530 53.2085 44.8481 175.1775 31 K 4.6242 9.2912 127.0981 55.5129 33.9366 175.9759 32 L 4.8343 9.0785 125.3163 53.1508 44.1042 174.9081 33 Q 4.7478 9.0112 126.6803 54.3677 31.5668 174.0097 34 N 5.1235 9.0979 126.6357 51.5810 39.0073 173.3687 35 P 4.4621 0.0000 0.0000 63.8082 32.0902 176.9411 36 S 4.5592 8.0770 114.6784 57.8767 64.3429 173.3834 37 D 4.8905 8.4585 117.1807 53.1448 39.2933 176.0194 38 R 4.7949 7.6439 116.5842 54.5775 34.2426 175.4090 39 K 4.4337 8.7289 121.0575 56.7206 33.7542 176.0640 40 V 4.7921 8.8286 123.0635 61.4456 34.5363 174.3075 41 C 5.1404 8.8873 126.1677 59.1693 29.8647 172.7803 42 F 5.8142 8.9741 116.6612 55.4150 41.7107 173.4122 43 K 4.9860 9.1318 120.3869 55.0495 35.7702 174.7203 44 V 4.9410 8.7750 127.4290 61.3778 33.1783 174.9363 45 K 4.7541 9.2408 126.0864 55.0290 36.3659 174.9282 46 T 4.6638 7.8939 115.1454 60.7019 70.0100 173.7768 47 T 4.0568 8.2477 115.7781 62.5372 69.7783 174.7547 48 A 4.6574 7.4840 125.0521 49.5243 18.5428 174.6333 49 P 4.2733 0.0000 0.0000 65.2077 31.9124 179.7415 50 R 3.7469 7.8907 116.0401 58.0160 30.3264 177.2018 51 R 4.1402 7.9842 116.1919 56.6881 30.7155 175.2304 52 Y 5.3300 7.3264 114.0137 56.5442 42.5345 174.1528 53 C 4.9437 9.1783 119.0807 58.1493 31.0606 173.1783 54 V 4.9725 8.5041 122.2306 61.2680 33.8468 174.8083 55 R 4.7783 9.2803 127.1227 53.7359 33.5870 173.1508 56 P 4.9205 0.0000 0.0000 62.5804 32.3715 176.2805 57 N 4.7775 8.9351 117.9863 53.4057 38.0619 174.3553 58 S 4.3731 6.7143 111.6391 57.3013 65.5521 175.2022 59 G 3.6689 5.6331 106.4879 45.8683 0.0000 171.2980 60 V 4.9116 8.0911 118.1346 61.1509 34.9878 176.1118 61 I 4.6507 9.1634 127.8106 59.3293 39.9832 175.0476 62 D 4.8839 8.8497 127.3176 53.2887 42.0658 174.5026 63 P 4.4540 0.0000 0.0000 64.4099 31.5362 177.0961 64 G 3.8747 8.5162 107.8869 46.0246 0.0000 173.3961 65 S 4.7948 7.7926 116.2291 57.0198 65.9136 172.7423 66 I 5.0724 8.0573 119.9097 59.5950 40.8843 174.4692 67 V 4.5228 8.7993 121.9703 59.8357 35.0967 174.5015 68 T 4.8624 8.5190 121.3421 61.9413 70.3212 173.9051 69 V 4.2128 8.9655 127.8860 61.4545 33.6984 174.4352 70 S 4.8995 9.0450 123.5839 57.4266 63.8382 172.7071 71 V 4.7173 8.8915 128.1774 61.7975 33.4664 174.3983 72 M 5.0075 9.3264 130.2724 53.4983 33.3059 174.7623 73 L 4.1537 9.2107 127.6976 54.4826 43.1046 176.4499 74 Q 4.5680 8.4430 126.2754 54.9301 29.4568 174.6091 75 P 4.8760 0.0000 0.0000 63.5446 32.1383 175.0834 76 F 4.6911 8.4043 114.9277 56.2111 41.2128 173.6807 77 D 4.3062 8.8605 119.3671 54.0958 40.1334 174.6059 78 Y 4.1569 8.1439 128.5500 56.9587 39.3633 173.8107 79 D 4.5250 8.4439 127.6124 51.7213 41.3270 174.9027 80 P 3.5950 0.0000 0.0000 64.6212 31.4882 177.1069 81 N 4.4448 8.6152 115.1233 53.8264 38.7063 174.2547 82 E 4.3479 8.1268 121.0060 54.3586 30.1540 175.0035 83 K 4.3536 8.2687 127.6204 54.7104 33.5871 175.9975 84 S 3.7618 8.1521 119.9327 58.3609 62.5687 173.7032 85 K 4.3066 8.1596 126.9570 56.5197 32.6970 175.8089 86 H 4.6552 7.7636 116.0577 56.5636 29.9823 174.5846 87 K 5.2309 9.0374 120.1890 54.8271 36.7419 175.2751 88 F 5.1870 9.4765 120.7343 55.9418 42.9764 174.0719 89 M 5.1953 9.0315 120.3273 53.8968 35.7103 174.0612 90 V 4.8450 9.1175 126.5545 61.5850 33.6775 174.1084 91 Q 5.2876 9.2009 128.3181 54.6411 31.0452 175.0939 92 T 5.5609 9.4599 112.9506 60.5781 72.9956 172.4201 93 I 4.6534 8.3303 121.2472 59.6298 41.8977 173.8927 94 F 4.8529 8.4444 125.9791 57.1893 39.7884 174.9985 95 A 4.1968 9.2863 126.2893 51.1773 18.6738 176.1809 96 P 4.5180 0.0000 0.0000 61.4003 32.7461 175.0108 97 P 4.1629 0.0000 0.0000 65.6806 30.6166 178.0550 *100 S 4.3503 7.2287 111.8800 56.5908 65.1734 172.4387 101 D 4.9166 7.4436 117.2679 52.9973 43.1591 177.6747 102 M 4.1526 8.5178 125.3158 57.9793 32.0432 178.2431 103 E 4.0579 9.1812 119.8291 59.0517 29.6601 178.6750 104 A 3.9882 8.1897 119.9896 55.5654 18.5444 179.7015 105 V 3.3349 7.5161 116.3450 66.1200 31.4433 178.5075 106 W 4.4594 7.6805 116.8013 59.0354 28.8705 178.0205 107 K 4.3307 7.7909 117.5699 59.0568 32.6462 178.5349 108 E 4.1737 8.0994 118.3391 57.0807 29.5839 177.1096 109 A 4.2351 7.0143 121.8294 52.2238 19.0340 177.4390 110 K 4.4083 8.8212 123.2643 55.0357 33.1100 176.6863 111 P 4.4261 0.0000 0.0000 65.3857 31.6551 178.1833 112 D 4.4499 8.0914 117.5229 55.5115 39.4482 176.9153 113 E 4.2849 7.9405 118.6881 57.7379 30.0324 176.4408 114 L 4.7105 7.3871 118.9949 54.2627 42.7015 176.3526 115 M 4.9392 9.1500 122.5112 53.6698 35.6884 174.4625 116 D 5.3626 8.6225 120.2262 52.7698 45.1123 175.0461 117 S 4.9025 9.4216 118.0154 56.6728 66.4397 173.1841 118 K 5.1776 8.6486 121.5816 54.6939 35.0028 175.5231 119 L 5.0737 9.1668 122.8748 53.0286 45.9969 175.4032 120 R 4.7928 8.8308 123.3561 55.3465 31.8028 175.2884 121 C 5.1749 8.7518 123.7906 59.5473 29.8325 173.4398 122 V 4.4003 9.3519 121.5527 61.4761 34.5539 173.8937 123 F 5.7171 8.9488 126.9954 56.5947 40.1110 174.8829 124 E 4.9098 9.1924 124.3324 54.5242 33.0375 175.6455 125 M 4.2479 8.5386 121.5915 55.6518 32.6197 175.2880 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 5 E 8.44 4.28 0.00 2.00 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 2.23 2.33 0.00 6 Q 8.66 3.76 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 7 I 9.06 4.00 1.80 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.89 0.67 0.00 0.00 8 L 7.84 4.37 0.00 1.58 1.55 0.91 0.93 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 9 V 8.82 4.28 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 1.03 0.00 0.00 0.93 0.00 0.00 10 L 8.44 5.11 0.00 1.63 1.69 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.75 5.19 0.00 2.68 2.46 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 12 P 0.00 4.67 0.00 2.28 1.99 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 13 P 0.00 4.44 0.00 2.19 2.21 0.00 3.38 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.65 4.77 0.00 3.88 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 15 D 8.09 5.31 0.00 2.53 2.59 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 16 L 9.26 4.50 0.00 1.62 1.31 0.50 0.53 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 17 K 8.38 5.12 0.00 1.56 1.74 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 F 9.85 4.84 0.00 3.21 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 19 K 8.79 4.71 0.00 1.73 1.67 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.36 7.81 20 G 7.87 2.59 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 0.00 0.00 0.00 21 P 0.00 4.20 0.00 1.93 1.95 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 22 F 8.10 4.84 0.00 2.44 2.59 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 23 T 8.03 3.99 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 1.18 0.00 0.00 24 D 7.51 5.04 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.00 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 0.90 0.00 0.00 0.96 0.00 0.00 26 V 8.69 4.51 2.33 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 1.20 0.00 0.00 0.92 0.00 0.00 27 T 8.72 5.37 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 1.31 0.00 0.00 28 T 9.03 4.63 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 0.92 0.00 0.00 29 N 8.51 5.31 0.00 2.52 2.65 0.00 0.00 6.66 7.85 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 30 L 8.89 4.67 0.00 1.51 1.35 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.29 4.62 0.00 1.81 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 32 L 9.08 4.83 0.00 1.35 1.34 0.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.01 4.75 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 34 N 9.10 5.12 0.00 2.90 2.86 0.00 0.00 6.62 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 35 P 0.00 4.46 0.00 2.24 2.17 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 36 S 8.08 4.56 0.00 4.14 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 37 D 8.46 4.89 0.00 2.79 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 38 R 7.64 4.79 0.00 1.72 1.84 0.00 2.77 0.00 0.00 2.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 39 K 8.73 4.43 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 V 8.83 4.79 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 1.04 0.00 0.00 1.05 0.00 0.00 41 C 8.89 5.14 0.00 2.65 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 42 F 8.97 5.81 0.00 3.18 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 43 K 9.13 4.99 0.00 1.36 0.98 0.00 1.13 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.10 7.81 44 V 8.78 4.94 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 1.07 0.00 0.00 1.19 0.00 0.00 45 K 9.24 4.75 0.00 1.57 1.52 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.22 7.81 46 T 7.89 4.66 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 0.94 0.00 0.00 47 T 8.25 4.06 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 1.14 0.00 0.00 48 A 7.48 4.66 1.04 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 0.00 0.00 49 P 0.00 4.27 0.00 2.19 2.27 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 50 R 7.89 3.75 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 51 R 7.98 4.14 0.00 1.68 1.34 0.00 3.02 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 52 Y 7.33 5.33 0.00 2.85 2.99 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 53 C 9.18 4.94 0.00 2.93 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 54 V 8.50 4.97 2.23 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 1.00 0.00 0.00 1.22 0.00 0.00 55 R 9.28 4.78 0.00 1.77 1.82 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 56 P 0.00 4.92 0.00 2.44 2.16 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 57 N 8.94 4.78 0.00 2.94 3.34 0.00 0.00 5.68 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 58 S 6.71 4.37 0.00 3.92 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 59 G 5.63 3.67 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 0.00 0.00 0.00 60 V 8.09 4.91 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 0.88 0.00 0.00 0.89 0.00 0.00 61 I 9.16 4.65 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.95 0.00 0.00 62 D 8.85 4.88 0.00 2.71 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 63 P 0.00 4.45 0.00 2.19 2.11 0.00 3.88 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 2.01 1.99 0.00 64 G 8.52 3.87 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 0.00 0.00 0.00 65 S 7.79 4.79 0.00 3.97 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 66 I 8.06 5.07 1.86 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 1.32 1.00 0.90 0.00 0.00 67 V 8.80 4.52 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 0.75 0.00 0.00 0.69 0.00 0.00 68 T 8.52 4.86 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 1.17 0.00 0.00 69 V 8.97 4.21 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 0.90 0.00 0.00 0.79 0.00 0.00 70 S 9.05 4.90 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 71 V 8.89 4.72 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 0.88 0.00 0.00 0.66 0.00 0.00 72 M 9.33 5.01 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 73 L 9.21 4.15 0.00 1.29 1.66 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.44 4.57 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 75 P 0.00 4.88 0.00 2.12 2.22 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 76 F 8.40 4.69 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 77 D 8.86 4.31 0.00 2.68 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 78 Y 8.14 4.16 0.00 2.64 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 79 D 8.44 4.53 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.59 0.00 2.19 2.03 0.00 3.19 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 81 N 8.62 4.44 0.00 2.75 2.87 0.00 0.00 6.85 7.70 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 82 E 8.13 4.35 0.00 1.86 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 2.22 2.20 0.00 83 K 8.27 4.35 0.00 1.72 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.42 7.81 84 S 8.15 3.76 0.00 2.72 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 85 K 8.16 4.31 0.00 1.67 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.40 7.81 86 H 7.76 4.66 0.00 3.22 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.04 5.23 0.00 1.61 1.70 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 88 F 9.48 5.19 0.00 2.84 2.86 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 89 M 9.03 5.20 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 90 V 9.12 4.85 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 0.81 0.00 0.00 0.95 0.00 0.00 91 Q 9.20 5.29 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.50 2.21 0.00 92 T 9.46 5.56 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 1.37 0.00 0.00 93 I 8.33 4.65 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.28 0.34 0.00 0.00 94 F 8.44 4.85 0.00 2.99 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 95 A 9.29 4.20 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 96 P 0.00 4.52 0.00 2.14 2.03 0.00 3.65 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 1.88 1.85 0.00 97 P 0.00 4.16 0.00 2.04 2.13 0.00 3.68 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 2.00 2.08 0.00 *100 S 7.23 4.35 0.00 3.87 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 0.00 101 D 7.44 4.92 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.52 4.15 0.00 2.17 2.14 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 2.69 2.55 0.00 103 E 9.18 4.06 0.00 2.08 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 2.47 2.50 0.00 104 A 8.19 3.99 1.32 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 0.00 0.00 0.00 105 V 7.52 3.33 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 0.39 0.00 0.00 0.82 0.00 0.00 106 W 7.68 4.46 0.00 3.27 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 0.00 107 K 7.79 4.33 0.00 1.93 2.00 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 108 E 8.10 4.17 0.00 2.15 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 0.00 2.34 2.45 0.00 109 A 7.01 4.24 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 0.00 0.00 0.00 0.00 0.00 110 K 8.82 4.41 0.00 1.88 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 111 P 0.00 4.43 0.00 2.32 2.33 0.00 3.46 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 112 D 8.09 4.45 0.00 2.84 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 0.00 113 E 7.94 4.28 0.00 2.14 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 2.36 2.41 0.00 114 L 7.39 4.71 0.00 1.78 1.66 1.02 1.13 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 0.00 115 M 9.15 4.94 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 116 D 8.62 5.36 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.42 4.90 0.00 3.68 3.71 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 0.00 0.00 0.00 0.00 118 K 8.65 5.18 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 119 L 9.17 5.07 0.00 1.55 1.51 0.91 0.71 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 0.00 120 R 8.83 4.79 0.00 1.90 2.02 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 C 8.75 5.17 0.00 3.02 3.26 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 0.00 122 V 9.35 4.40 2.20 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 0.90 0.00 0.00 0.98 0.00 0.00 123 F 8.95 5.72 0.00 3.09 2.71 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 0.00 0.00 0.00 0.00 124 E 9.19 4.91 0.00 2.18 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 2.25 2.29 0.00 125 M 8.54 4.25 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 * Residues marked with a * may have inaccurate shift predictions.