NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 T 4.3818 8.1749 117.3917 63.1928 69.8985 173.5609 20 T 3.9988 8.6912 123.1845 62.3255 69.1029 172.8698 21 G 3.9232 8.0295 112.8327 45.7220 0.0000 170.0164 22 V 4.8060 7.7792 119.3309 61.8888 32.8648 175.6040 23 Y 4.7870 9.2629 124.4716 56.2841 42.0478 174.6113 24 R 4.8659 8.6260 120.7197 55.2648 32.1827 175.8639 25 I 4.3005 8.8255 124.5054 60.3354 38.6408 174.7999 26 M 4.9349 8.4428 126.3480 53.7271 34.9990 176.4823 27 T 4.2259 8.0936 113.7153 62.5546 68.8520 173.1000 *33 S 4.8632 7.8973 113.3404 58.1502 64.2306 172.0748 34 Y 4.9538 8.3581 118.1167 55.6915 42.1030 173.4979 35 Q 4.6651 8.8747 121.4594 55.4454 29.6163 175.8007 36 A 4.2629 9.0503 129.8943 53.4277 19.8122 177.4027 37 G 4.1508 7.4149 100.9206 45.7287 0.0000 170.7725 38 A 5.0740 7.8373 121.3422 51.3383 23.7406 175.4386 39 G 4.1384 8.4717 103.8095 45.5186 0.0000 172.7679 40 V 5.1601 7.5509 111.8904 59.7396 36.0745 174.8046 41 M 4.9544 9.3107 125.0758 54.4640 33.8452 174.9874 42 V 4.6278 8.5499 125.8167 61.7331 35.3355 175.0817 43 E 3.8239 9.9540 127.0754 57.6056 27.0363 175.4677 44 G 3.8952 8.4705 102.5674 45.7432 0.0000 173.6933 45 V 4.5464 7.6046 119.4409 60.6533 34.6452 174.0366 46 F 5.0240 8.9854 130.1256 57.3023 41.1165 173.8760 47 H 5.1006 8.1636 123.3853 54.3145 31.8338 173.1258 48 T 4.7465 8.8360 116.4453 61.0284 71.5889 172.2922 49 L 4.8613 8.5226 121.7652 53.7920 42.7959 177.8477 50 W 4.3251 9.0549 132.7469 61.1443 30.4042 178.1174 51 H 4.3347 8.5918 112.9642 57.9388 28.0586 177.1748 52 T 4.0555 7.4876 112.6896 64.1507 69.0971 175.1476 53 T 4.3431 7.4432 109.2105 59.8472 70.8023 174.3228 54 K 2.4800 8.5899 120.1758 56.8136 30.0290 176.1995 55 G 3.5670 7.2786 104.6534 45.0609 0.0000 174.6313 56 A 4.0262 7.2489 121.9360 51.7102 18.8832 177.9355 57 A 4.6164 8.4675 123.0199 52.2687 19.7162 176.8821 58 L 4.5921 8.6512 119.0426 52.9110 44.8215 176.4230 59 M 4.6064 8.6267 124.0971 55.3443 33.0427 175.7404 60 S 4.5819 8.6562 115.6286 56.3569 66.5376 175.2288 61 G 3.7022 8.6730 109.0186 48.0112 0.0000 174.1631 62 E 4.3925 8.0488 117.9248 55.9716 29.9988 176.2894 63 G 3.7975 7.9600 107.3828 43.8865 0.0000 172.6599 64 R 4.4673 8.1577 118.8717 56.2859 30.8242 176.0518 65 L 4.8281 9.1999 126.5807 53.3109 43.6149 175.1155 66 D 5.5121 8.6869 122.8775 51.4759 43.9876 174.1614 67 P 3.7876 0.0000 0.0000 63.3124 31.8700 174.9356 68 Y 4.5001 9.1003 123.8965 58.7796 40.0902 175.4910 69 W 5.2507 8.2670 127.5661 56.0956 34.5169 173.5108 70 G 3.9936 7.2496 111.1982 44.7872 0.0000 172.1897 71 S 3.9378 8.0407 116.7278 55.8806 64.6709 174.8254 72 V 2.9299 7.8597 127.6444 65.6554 31.5785 176.8969 73 K 3.9484 7.8719 119.1431 59.4477 31.9409 177.1773 74 E 4.1683 7.9128 115.2466 56.1552 30.0770 175.6467 75 D 4.5435 7.7784 118.0687 55.6063 40.4429 172.5936 76 R 5.4369 7.6127 114.0943 54.3892 34.4030 175.0796 77 L 5.3685 9.1885 123.1647 54.2449 46.1940 174.0407 78 C 5.7109 9.9587 120.4242 56.8575 33.7429 172.2614 79 Y 5.1321 9.5164 117.8322 57.7759 40.6704 177.0612 80 G 3.9795 8.8041 111.4526 44.3038 0.0000 173.3872 81 G 3.0303 6.9552 106.2869 44.0503 0.0000 170.1187 82 P 4.4813 0.0000 0.0000 61.4144 32.0759 175.8742 83 W 4.1721 8.7054 128.6715 58.4966 30.5846 176.4565 84 K 4.2572 8.3468 123.7554 56.4928 32.8649 176.3675 85 L 4.1223 7.1244 119.3001 54.2946 41.1068 176.3184 86 Q 4.4814 8.5305 121.5823 56.3183 30.0974 175.5093 87 H 4.8412 7.8768 116.3236 54.6931 30.2323 174.0649 88 K 4.9648 8.1753 120.2225 53.7660 36.0839 176.0629 89 W 4.4827 8.8922 130.4059 58.1707 30.7718 175.6776 90 N 4.3095 8.6568 121.7079 52.9748 37.3184 176.1334 91 G 2.0314 5.4110 106.5908 45.3196 0.0000 173.6275 92 H 4.5422 8.2099 116.1866 56.1197 30.4787 174.4300 93 D 5.1501 7.9461 116.5428 52.0122 43.4859 175.5328 94 E 4.5023 8.5832 119.9448 56.8992 30.4633 176.4152 95 V 4.6921 8.8697 114.2597 59.8593 36.7090 174.4673 96 Q 5.0547 8.9036 120.0059 54.4497 32.4618 174.4342 97 M 4.6906 8.9165 123.2371 54.3231 34.2358 175.1985 98 I 4.5450 8.4854 128.1597 60.1285 37.3054 175.3200 99 V 3.2788 8.4890 128.6499 62.4189 32.0911 175.7938 100 V 4.3933 7.7860 131.4038 61.5695 29.5453 174.3616 101 E 4.2353 7.8701 123.2553 54.4984 30.7306 174.9418 102 P 4.6494 0.0000 0.0000 63.6428 31.7874 176.6962 103 G 3.9928 9.1424 109.6407 45.6544 0.0000 173.1839 104 K 4.6588 7.6731 116.8954 53.9023 36.0035 176.1948 105 N 4.4364 8.6450 119.0974 53.4470 39.1050 175.4329 106 V 4.3093 8.2484 113.6145 61.3114 32.5797 175.7105 107 K 4.6515 8.2158 120.6267 55.6402 36.0470 174.5310 108 N 5.2911 8.6689 119.4258 52.2595 40.4420 174.7958 109 V 4.5352 8.5038 114.9212 59.5871 35.6460 174.2928 110 Q 5.1490 8.5673 124.8125 54.9564 31.2184 174.2685 111 T 4.5759 8.7361 118.5338 61.0104 71.6469 172.3461 112 K 4.5875 8.4246 127.5526 54.1684 32.5853 174.5880 113 P 4.1307 0.0000 0.0000 62.9060 31.8443 177.2878 114 G 4.2444 8.4203 111.1426 45.8054 0.0000 172.7331 115 V 5.0649 8.1623 113.5936 59.7498 36.1572 175.1135 116 F 4.9355 9.2510 123.3315 56.9387 40.4211 174.9471 117 K 4.8428 8.8414 123.8885 55.3457 33.0502 175.9756 118 T 4.7539 8.2028 113.7467 58.4556 71.8194 173.3206 119 P 4.2662 0.0000 0.0000 65.7072 31.2387 176.8791 120 E 4.2945 7.6148 115.9753 56.2363 29.2413 175.2093 121 G 3.8455 7.7750 105.8718 44.0147 0.0000 173.2756 122 E 4.6486 8.4211 117.9588 56.1476 30.7443 176.7249 123 I 4.6004 8.7695 123.3377 59.0804 40.4462 175.5402 124 G 3.9508 9.0264 113.9284 46.8021 0.0000 171.9702 125 A 4.7631 8.4863 124.1293 49.9307 22.9133 175.3410 126 V 4.4187 8.7042 115.6919 59.5881 34.8392 175.8670 127 T 4.8316 8.3235 116.4362 60.1612 67.1461 172.8687 128 L 4.6570 7.9432 126.1771 53.6360 45.6086 175.8433 129 D 4.9446 8.3046 121.9175 52.7797 42.3020 173.8628 130 Y 4.8189 8.4666 123.1692 54.8778 41.6839 174.0945 131 P 4.5351 0.0000 0.0000 62.7517 32.3531 177.8389 132 T 3.9249 8.7486 116.6139 67.0094 68.6131 176.7131 133 G 3.9167 8.2913 108.9717 47.5427 0.0000 174.2499 134 T 4.5814 8.0882 109.7934 61.8691 69.5370 175.1305 135 S 4.7465 8.0206 120.6408 60.3696 63.3081 175.2522 136 G 4.7089 9.5719 113.1328 46.1210 0.0000 173.4824 137 S 4.4328 8.2178 117.2890 58.1953 63.8864 172.3067 138 P 4.9929 0.0000 0.0000 62.7483 33.1558 174.7735 139 I 4.9370 8.8905 122.6466 59.8385 39.6650 175.1855 140 V 5.0815 9.0940 119.5424 59.6469 35.9339 175.0680 141 D 5.2415 8.5484 123.0843 51.7645 41.6970 177.1440 142 K 3.9490 8.7244 118.6234 59.0309 32.1794 176.8847 143 N 4.5309 8.3395 113.9942 53.2096 38.7908 175.4895 144 G 3.8868 8.2266 106.6885 46.1456 0.0000 173.3923 145 D 4.6189 8.0546 119.5641 52.7430 41.8717 176.1468 146 V 4.2660 8.2859 123.3422 62.8520 31.7224 175.5740 147 I 4.8143 8.5815 120.8404 59.6254 38.7462 175.7033 148 G 4.1669 6.8550 108.5099 46.8208 0.0000 170.9876 149 L 5.4966 8.2883 118.7493 53.0425 46.0588 175.6086 150 Y 4.6295 9.2140 123.2786 57.1956 40.4398 175.0674 151 G 3.6535 7.5066 114.7810 45.6733 0.0000 173.0053 152 N 5.0613 8.1764 118.9573 51.6856 41.6972 171.5452 153 G 4.1766 8.3305 116.5532 46.1400 0.0000 172.3116 154 V 4.7480 8.9119 116.5962 59.6525 36.6271 174.1428 155 I 4.9456 8.2671 122.8321 59.7115 39.3810 175.5226 156 M 4.4195 9.3342 129.3445 54.1450 32.7026 175.6279 157 P 4.2668 0.0000 0.0000 65.6712 31.5048 177.3457 158 N 4.5497 8.1104 112.8150 53.0304 37.5029 175.8716 159 G 4.0092 8.4217 108.9613 45.0923 0.0000 174.2102 160 S 4.3907 8.5091 115.8389 58.5120 64.2986 172.6394 161 Y 5.2165 8.5949 123.8043 56.5234 40.3858 174.5889 162 I 4.5292 7.9158 125.9509 59.5444 41.3454 174.1241 163 S 4.6871 8.4785 121.6019 56.0578 64.3773 173.3709 164 A 3.8849 8.4505 128.1090 52.1077 19.1679 177.8404 165 I 4.0409 8.3699 122.0937 60.4356 37.3414 175.7666 166 V 4.0477 8.8293 129.1884 62.3788 32.3850 174.6851 167 Q 5.0282 8.5659 127.3269 55.6320 32.1065 172.8463 168 G 3.9917 8.2001 111.3641 43.8437 0.0000 171.9467 169 E 4.2380 8.2646 118.4741 55.8062 30.1657 177.5858 170 R 4.8445 8.3824 116.1747 55.9978 29.8233 176.3543 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 19 T 8.17 4.38 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 1.24 0.00 0.00 20 T 8.69 4.00 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 1.30 0.00 0.00 21 G 8.03 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 0.00 0.00 0.00 22 V 7.78 4.81 2.06 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 0.86 0.00 0.00 0.94 0.00 0.00 23 Y 9.26 4.79 0.00 3.25 2.81 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 24 R 8.63 4.87 0.00 1.69 1.86 0.00 3.17 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 25 I 8.83 4.30 1.91 0.00 0.00 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 1.31 0.87 0.86 0.00 0.00 26 M 8.44 4.93 0.00 1.77 1.86 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 2.45 2.39 0.00 27 T 8.09 4.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 *33 S 7.90 4.86 0.00 4.05 3.89 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 34 Y 8.36 4.95 0.00 3.06 3.04 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 35 Q 8.87 4.67 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 36 A 9.05 4.26 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 37 G 7.41 4.15 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 0.00 38 A 7.84 5.07 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 39 G 8.47 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 40 V 7.55 5.16 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 0.72 0.00 0.00 0.75 0.00 0.00 41 M 9.31 4.95 0.00 2.48 1.73 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 42 V 8.55 4.63 1.92 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 0.85 0.00 0.00 0.85 0.00 0.00 43 E 9.95 3.82 0.00 2.08 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 2.21 2.26 0.00 44 G 8.47 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 0.00 0.00 0.00 45 V 7.60 4.55 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 0.88 0.00 0.00 0.85 0.00 0.00 46 F 8.99 5.02 0.00 2.99 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 47 H 8.16 5.10 0.00 2.61 2.45 0.00 5.86 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 48 T 8.84 4.75 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 1.43 0.00 0.00 49 L 8.52 4.86 0.00 1.72 1.85 1.10 0.97 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 50 W 9.05 4.33 0.00 3.57 3.33 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 51 H 8.59 4.33 0.00 3.43 3.70 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.49 4.06 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 1.15 0.00 0.00 53 T 7.44 4.34 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 1.24 0.00 0.00 54 K 8.59 2.48 0.00 1.68 1.72 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.21 1.20 7.81 55 G 7.28 3.57 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 0.00 0.00 0.00 56 A 7.25 4.03 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 57 A 8.47 4.62 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 58 L 8.65 4.59 0.00 1.10 1.15 -0.07 0.74 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 59 M 8.63 4.61 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 60 S 8.66 4.58 0.00 3.84 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 61 G 8.67 3.70 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 0.00 0.00 0.00 62 E 8.05 4.39 0.00 1.95 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 2.26 2.27 0.00 63 G 7.96 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 0.00 0.00 0.00 64 R 8.16 4.47 0.00 1.83 1.85 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 65 L 9.20 4.83 0.00 1.48 1.66 0.67 1.07 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 66 D 8.69 5.51 0.00 2.68 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 67 P 0.00 3.79 0.00 2.05 1.59 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 68 Y 9.10 4.50 0.00 3.08 3.31 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 69 W 8.27 5.25 0.00 3.58 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 70 G 7.25 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 0.00 0.00 0.00 71 S 8.04 3.94 0.00 3.34 3.29 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 0.00 72 V 7.86 2.93 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 0.65 0.00 0.00 -0.17 0.00 0.00 73 K 7.87 3.95 0.00 1.66 1.73 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 74 E 7.91 4.17 0.00 1.97 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 2.21 0.00 75 D 7.78 4.54 0.00 3.01 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 76 R 7.61 5.44 0.00 1.74 1.62 0.00 2.30 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 77 L 9.19 5.37 0.00 2.15 1.73 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 C 9.96 5.71 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 79 Y 9.52 5.13 0.00 3.02 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 80 G 8.80 3.98 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 0.00 0.00 0.00 81 G 6.96 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 0.00 0.00 0.00 82 P 0.00 4.48 0.00 2.17 2.12 0.00 3.47 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 83 W 8.71 4.17 0.00 3.13 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 84 K 8.35 4.26 0.00 1.66 1.75 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.47 7.81 85 L 7.12 4.12 0.00 1.83 1.61 0.60 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.53 4.48 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.87 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 87 H 7.88 4.84 0.00 3.42 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.18 4.96 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 89 W 8.89 4.48 0.00 3.14 3.20 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 90 N 8.66 4.31 0.00 2.75 2.86 0.00 0.00 6.22 7.00 0.00 0.00 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 G 5.41 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 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.21 4.54 0.00 3.12 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.95 5.15 0.00 2.80 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 94 E 8.58 4.50 0.00 1.90 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 0.00 2.43 2.41 0.00 95 V 8.87 4.69 2.17 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 0.68 0.00 0.00 0.82 0.00 0.00 96 Q 8.90 5.05 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 97 M 8.92 4.69 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 98 I 8.49 4.54 1.84 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 1.27 0.65 0.87 0.00 0.00 99 V 8.49 3.28 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 0.07 0.00 0.00 0.35 0.00 0.00 100 V 7.79 4.39 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 0.83 0.00 0.00 0.95 0.00 0.00 101 E 7.87 4.24 0.00 2.03 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 2.45 2.25 0.00 102 P 0.00 4.65 0.00 2.08 2.07 0.00 3.85 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 103 G 9.14 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 0.00 0.00 0.00 104 K 7.67 4.66 0.00 1.81 1.65 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.53 7.81 105 N 8.65 4.44 0.00 2.69 2.74 0.00 0.00 7.00 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 0.00 106 V 8.25 4.31 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 0.88 0.00 0.00 0.89 0.00 0.00 107 K 8.22 4.65 0.00 1.73 1.80 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.36 7.81 108 N 8.67 5.29 0.00 2.57 2.83 0.00 0.00 6.75 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 0.00 109 V 8.50 4.54 2.12 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 0.72 0.00 0.00 0.95 0.00 0.00 110 Q 8.57 5.15 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 111 T 8.74 4.58 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 1.14 0.00 0.00 112 K 8.42 4.59 0.00 1.76 1.73 0.00 1.99 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.59 7.81 113 P 0.00 4.13 0.00 0.49 1.11 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.52 0.00 114 G 8.42 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 0.00 0.00 0.00 0.00 115 V 8.16 5.06 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 1.06 0.00 0.00 1.03 0.00 0.00 116 F 9.25 4.94 0.00 2.88 2.81 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 0.00 117 K 8.84 4.84 0.00 1.67 1.80 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 118 T 8.20 4.75 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 1.28 0.00 0.00 119 P 0.00 4.27 0.00 2.20 2.23 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 120 E 7.61 4.29 0.00 2.04 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 0.00 2.31 2.25 0.00 121 G 7.77 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 0.00 0.00 0.00 122 E 8.42 4.65 0.00 1.96 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 2.39 2.39 0.00 123 I 8.77 4.60 1.99 0.00 0.00 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 1.24 0.77 0.93 0.00 0.00 124 G 9.03 3.95 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 0.00 0.00 0.00 125 A 8.49 4.76 0.35 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 0.00 126 V 8.70 4.42 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 0.54 0.00 0.00 1.07 0.00 0.00 127 T 8.32 4.83 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 1.18 0.00 0.00 128 L 7.94 4.66 0.00 1.78 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.30 4.94 0.00 2.67 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 0.00 130 Y 8.47 4.82 0.00 3.03 2.84 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 0.00 131 P 0.00 4.54 0.00 2.26 2.03 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 132 T 8.75 3.92 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 1.28 0.00 0.00 133 G 8.29 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 0.00 0.00 0.00 134 T 8.09 4.58 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 0.00 135 S 8.02 4.75 0.00 4.03 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 0.00 136 G 9.57 4.71 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 0.00 0.00 0.00 137 S 8.22 4.43 0.00 3.86 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 0.00 138 P 0.00 4.99 0.00 2.12 2.17 0.00 3.82 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 2.07 2.01 0.00 139 I 8.89 4.94 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.89 0.00 0.00 140 V 9.09 5.08 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 0.75 0.00 0.00 0.99 0.00 0.00 141 D 8.55 5.24 0.00 2.87 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 0.00 142 K 8.72 3.95 0.00 1.76 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.48 7.81 143 N 8.34 4.53 0.00 2.95 2.81 0.00 0.00 6.96 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 0.00 144 G 8.23 3.89 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 0.00 0.00 0.00 145 D 8.05 4.62 0.00 2.92 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 0.00 146 V 8.29 4.27 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 0.83 0.00 0.00 0.91 0.00 0.00 147 I 8.58 4.81 2.01 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 1.31 1.90 1.04 0.00 0.00 148 G 6.85 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 0.00 0.00 0.00 0.00 149 L 8.29 5.50 0.00 1.71 1.65 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.21 4.63 0.00 3.10 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 0.00 151 G 7.51 3.65 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 0.00 0.00 0.00 152 N 8.18 5.06 0.00 2.99 2.73 0.00 0.00 6.78 7.90 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 0.00 153 G 8.33 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 0.00 0.00 0.00 0.00 154 V 8.91 4.75 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 0.38 0.00 0.00 0.85 0.00 0.00 155 I 8.27 4.95 2.00 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 1.40 1.04 0.95 0.00 0.00 156 M 9.33 4.42 0.00 2.06 2.13 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 2.64 2.80 0.00 157 P 0.00 4.27 0.00 2.04 2.13 0.00 3.68 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 2.03 2.08 0.00 158 N 8.11 4.55 0.00 2.82 2.93 0.00 0.00 6.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.42 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 0.00 0.00 0.00 0.00 160 S 8.51 4.39 0.00 3.94 4.04 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 0.00 161 Y 8.59 5.22 0.00 2.96 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 0.00 162 I 7.92 4.53 1.97 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 1.09 0.53 0.81 0.00 0.00 163 S 8.48 4.69 0.00 3.56 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 0.00 164 A 8.45 3.88 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 0.00 165 I 8.37 4.04 1.82 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.49 0.95 0.00 0.00 166 V 8.83 4.05 2.31 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 1.09 0.00 0.00 1.04 0.00 0.00 167 Q 8.57 5.03 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 168 G 8.20 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 0.00 0.00 0.00 169 E 8.26 4.24 0.00 1.88 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 2.29 2.35 0.00 170 R 8.38 4.84 0.00 2.08 2.15 0.00 2.71 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.