NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6872 8.2233 120.4836 54.2519 42.9009 173.6946 3 I 4.4786 8.3447 123.4803 59.3066 39.0327 173.5016 4 R 4.5419 9.4468 126.6546 54.4607 33.5484 173.9518 5 Y 4.9524 8.3808 120.4745 56.1817 40.5410 174.9888 6 F 4.8264 9.2548 122.8124 55.8660 42.1451 175.8800 7 G 4.4554 9.0281 111.0929 46.9621 0.0000 173.7725 8 T 4.1552 8.0783 115.7519 63.2299 68.6917 174.6216 9 T 4.5337 8.2714 116.3430 58.6508 71.4388 173.2836 10 P 4.2410 0.0000 0.0000 64.5614 31.4565 177.5142 11 R 4.3987 7.4312 117.6326 57.6134 31.3283 175.1681 12 Y 4.7645 6.7980 113.7096 56.2851 40.8994 172.6669 13 S 5.1610 8.4862 116.3556 56.8679 64.8660 174.6376 14 E 4.1124 8.5066 122.0137 58.8350 30.2512 176.8667 15 A 5.1487 7.9920 119.0788 50.1748 23.3748 175.4951 16 V 4.7884 9.2669 119.9396 61.3157 35.0321 174.4700 17 G 4.6775 9.3259 115.2317 44.9331 0.0000 172.6316 18 A 5.0640 9.2591 124.4939 51.2429 22.6972 176.2386 19 N 4.2832 9.9815 123.3775 54.8612 37.6414 174.5859 20 G 4.0988 8.2384 106.4399 45.2387 0.0000 173.3806 21 L 4.7654 7.8134 119.6651 54.4352 43.4627 176.1990 22 I 4.9311 8.5082 122.7110 59.6644 40.7641 174.2854 23 F 4.9203 9.8136 126.7747 55.7854 40.8688 174.7902 24 L 5.0214 8.5056 124.4449 53.0174 43.0823 177.1322 25 S 4.2229 8.8842 119.5925 58.3962 63.7515 175.0033 26 G 4.5135 8.5601 108.7168 45.6829 0.0000 172.8542 *28 V 3.6124 8.1213 117.5980 60.2223 32.2147 173.5459 29 P 4.3578 0.0000 0.0000 62.9024 31.6202 176.2357 30 E 4.6348 9.7254 121.5927 56.5343 31.5633 175.8442 31 N 4.9887 7.9220 113.7545 52.1785 42.7502 174.9098 32 G 4.1589 8.9756 104.2217 46.2615 0.0000 172.7741 33 E 4.5181 8.9219 117.7841 57.6637 31.8626 178.1741 34 T 4.2269 7.8656 108.1058 60.9369 71.1445 175.0085 35 A 3.9909 8.5939 123.4396 55.4680 18.4886 179.9322 36 A 3.9596 8.1759 118.8074 55.4383 18.4776 179.8057 37 E 3.9570 8.1221 116.7792 59.6509 29.4816 179.6022 38 Q 4.1914 8.2003 118.1332 58.9233 28.7028 178.6764 39 T 3.7784 7.9939 116.7337 66.5929 68.4538 176.4461 40 A 3.8721 7.8336 122.2628 55.0886 18.3584 179.2480 41 D 4.1752 7.8037 116.1011 57.4568 41.3357 178.6618 42 V 3.5103 7.8804 118.9306 65.9859 31.4956 178.0119 43 L 3.3795 7.9990 118.8041 57.3826 41.2419 179.3743 44 A 4.0087 8.0904 120.9568 55.0726 18.2131 179.5615 45 Q 3.9903 8.1520 116.5747 59.2665 28.8095 179.1543 46 I 3.8365 7.8514 120.5978 64.7390 37.3199 178.0549 47 D 4.5638 8.3811 119.5433 57.6596 40.6748 179.3717 48 R 3.8704 8.1046 118.3567 59.0627 30.1526 179.1756 49 W 4.1808 8.4839 119.1418 59.6287 29.0262 178.6154 50 L 4.0192 8.6138 119.3315 57.7018 41.1208 179.4032 51 A 4.0998 7.9232 120.2563 55.2038 18.0960 179.4241 52 E 3.9299 7.8376 115.9731 59.6306 29.6728 178.6289 53 C 4.1160 7.7003 113.2602 59.3103 28.6808 173.9896 54 G 3.7981 8.4076 108.9947 46.1228 0.0000 173.1353 55 S 4.8440 8.2035 114.2331 57.0294 65.7710 171.3607 56 D 4.6004 7.9535 118.5662 52.1900 41.0781 176.1757 57 K 3.7743 8.3855 117.5697 59.4484 32.4067 178.0999 58 A 4.2749 7.5305 120.8195 52.9787 18.4620 177.0323 59 H 4.8220 8.3397 113.1055 55.4592 30.3348 173.1233 60 V 4.1987 7.4040 118.8686 62.7114 32.2313 175.6221 61 L 4.4800 9.0136 127.1423 56.5011 43.3634 176.1972 62 D 5.2334 7.8372 116.5179 52.6865 45.3129 174.0555 63 A 5.0083 9.0754 126.3751 50.6542 22.6948 174.8531 64 V 4.3734 8.7037 123.5359 61.4784 33.7448 174.5055 65 I 4.6002 8.5450 129.3075 59.7465 39.4696 174.0701 66 Y 5.1680 9.0988 125.6718 56.3874 39.9298 174.7160 67 L 5.0964 8.5322 124.6936 52.9530 43.7287 177.8586 68 R 4.0834 8.7883 123.8269 58.8161 30.8288 175.3660 69 D 4.9304 7.0566 116.0599 52.0885 43.7765 174.6400 *71 G 3.9501 8.6220 104.5279 45.9052 0.0000 173.2831 72 D 4.6996 8.3605 118.7465 54.5511 41.1134 177.3893 73 Y 4.2349 8.2736 121.1319 60.8773 39.0273 177.5499 74 A 3.9668 8.0889 121.9504 55.1104 19.0743 179.0963 75 E 3.9053 7.7948 112.9810 57.2404 29.2701 178.0054 *77 N 4.7688 8.2838 117.1311 52.7980 40.8875 176.9258 78 G 3.6697 8.0616 104.8465 47.8301 0.0000 175.9837 79 V 3.6858 7.4867 119.4877 65.3076 31.6203 177.7445 80 W 4.2727 8.2881 127.6680 60.8584 30.3051 177.3997 81 D 4.4175 8.7377 117.4296 57.4330 40.3708 178.4804 82 A 4.1228 7.5976 119.0870 53.9105 18.4006 178.7151 83 W 4.3414 7.3395 125.2094 58.5966 31.6167 177.3555 84 V 2.8117 6.5984 110.3247 61.0618 31.6666 175.4645 85 A 4.0084 7.7989 125.1045 50.6045 19.0251 177.0033 86 A 3.9175 8.4418 125.9122 54.3064 18.5729 177.9475 87 G 4.0157 9.0196 110.1869 45.8506 0.0000 173.4874 88 R 4.6626 7.7999 118.6492 55.6046 31.1686 175.5779 89 T 4.1755 7.8534 107.6731 60.4743 70.0872 172.7823 90 P 4.7795 0.0000 0.0000 61.6565 33.4565 175.2814 91 A 4.3129 8.8029 121.6910 52.3602 19.3384 176.7630 92 R 5.1866 8.3261 119.1731 54.9310 33.7185 174.0703 93 A 4.6826 8.6773 125.6246 50.3815 23.0393 174.5676 94 C 5.0342 8.5659 120.9244 57.7573 34.2890 173.4486 95 V 4.5363 8.4775 118.5347 59.4708 36.4841 174.1616 96 E 5.0266 8.6514 123.4414 55.3024 30.8837 174.7889 97 A 4.7724 9.0930 128.5116 50.5045 23.0333 175.9101 98 R 4.0905 8.7544 121.2369 56.2661 30.8518 176.2388 99 L 4.7136 8.0366 120.3855 52.7465 44.3247 176.4168 100 A 4.0900 8.7912 121.2602 54.4561 18.5830 177.9896 101 R 4.3076 6.7898 113.8382 53.3432 33.1066 175.0495 102 P 4.2098 0.0000 0.0000 65.5641 31.5034 177.7925 103 E 4.1146 7.7947 115.8187 57.7009 29.7298 176.6902 104 W 4.7041 7.6577 120.1773 56.6271 29.3395 176.1374 105 R 4.6941 9.7973 123.3764 56.8052 31.3478 176.7496 106 V 5.0953 7.6233 116.9860 60.1196 34.8831 174.1045 107 E 4.6539 9.5393 123.6654 54.6608 33.1327 173.8298 108 I 4.9778 8.4825 126.8213 59.2980 40.2804 174.5773 109 K 4.5810 9.1961 128.4806 54.7407 34.5952 174.5387 110 I 5.0319 8.4233 127.8562 59.8331 40.3861 174.5291 111 T 4.8214 8.9057 122.7320 61.8990 71.5319 173.3744 112 A 4.8486 8.8095 126.9442 50.7550 23.2018 174.6216 113 V 4.8697 8.1976 115.2489 60.0234 34.4441 176.0087 114 K 4.3692 8.5726 122.1979 56.3099 32.7092 177.3352 115 R 4.0767 8.1114 121.6907 56.1749 30.9814 176.8441 116 D 4.4889 8.4851 120.1984 54.7689 40.9950 176.5589 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 2 D 8.22 4.69 0.00 2.71 2.66 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 3 I 8.34 4.48 1.74 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 1.27 0.64 0.33 0.00 0.00 4 R 9.45 4.54 0.00 1.76 1.39 0.00 3.12 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 5 Y 8.38 4.95 0.00 2.73 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 6 F 9.25 4.83 0.00 2.96 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 7 G 9.03 4.46 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 0.00 0.00 0.00 8 T 8.08 4.16 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 1.09 0.00 0.00 9 T 8.27 4.53 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 0.86 0.00 0.00 10 P 0.00 4.24 0.00 2.03 2.12 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 11 R 7.43 4.40 0.00 1.85 2.03 0.00 3.53 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.66 0.00 12 Y 6.80 4.76 0.00 3.38 3.01 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 13 S 8.49 5.16 0.00 3.94 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 14 E 8.51 4.11 0.00 1.16 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 2.43 2.34 0.00 15 A 7.99 5.15 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.27 4.79 2.14 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 0.73 0.00 0.00 1.05 0.00 0.00 17 G 9.33 4.68 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 0.00 0.00 0.00 18 A 9.26 5.06 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 19 N 9.98 4.28 0.00 2.82 2.88 0.00 0.00 7.40 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 20 G 8.24 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.81 4.77 0.00 2.00 1.61 1.11 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.51 4.93 1.80 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 1.20 0.68 0.85 0.00 0.00 23 F 9.81 4.92 0.00 3.01 3.01 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 24 L 8.51 5.02 0.00 1.74 1.56 0.90 0.83 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 25 S 8.88 4.22 0.00 3.64 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.56 4.51 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 0.00 0.00 0.00 *28 V 8.12 3.61 1.06 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 -0.52 0.00 0.00 0.09 0.00 0.00 29 P 0.00 4.36 0.00 1.97 1.96 0.00 2.23 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 30 E 9.73 4.63 0.00 2.02 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 2.27 2.20 0.00 31 N 7.92 4.99 0.00 2.77 2.66 0.00 0.00 7.11 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 32 G 8.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.92 4.52 0.00 1.95 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 2.26 2.23 0.00 34 T 7.87 4.23 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 1.23 0.00 0.00 35 A 8.59 3.99 1.40 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 0.00 0.00 0.00 36 A 8.18 3.96 1.39 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 37 E 8.12 3.96 0.00 2.22 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 2.34 2.36 0.00 38 Q 8.20 4.19 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 39 T 7.99 3.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 A 7.83 3.87 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 41 D 7.80 4.18 0.00 2.78 2.78 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 42 V 7.88 3.51 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 0.88 0.00 0.00 0.82 0.00 0.00 43 L 8.00 3.38 0.00 1.37 0.26 0.51 -0.38 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 44 A 8.09 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.15 3.99 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 46 I 7.85 3.84 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 1.11 0.00 0.00 47 D 8.38 4.56 0.00 2.98 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 48 R 8.10 3.87 0.00 1.85 1.70 0.00 3.00 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 49 W 8.48 4.18 0.00 3.50 3.21 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 0.00 50 L 8.61 4.02 0.00 1.76 1.71 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.92 4.10 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 52 E 7.84 3.93 0.00 2.14 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 0.00 2.19 2.21 0.00 53 C 7.70 4.12 0.00 2.78 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 54 G 8.41 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 55 S 8.20 4.84 0.00 3.67 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 56 D 7.95 4.60 0.00 2.83 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 57 K 8.39 3.77 0.00 0.86 1.70 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.58 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.12 0.84 7.81 58 A 7.53 4.27 1.19 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 0.00 0.00 59 H 8.34 4.82 0.00 3.31 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.40 4.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.05 0.00 0.00 61 L 9.01 4.48 0.00 1.67 1.65 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.84 5.23 0.00 2.73 2.41 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 63 A 9.08 5.01 1.40 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 0.00 0.00 0.00 64 V 8.70 4.37 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 0.43 0.00 0.00 0.87 0.00 0.00 65 I 8.55 4.60 1.60 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.77 0.00 0.00 66 Y 9.10 5.17 0.00 2.84 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 67 L 8.53 5.10 0.00 1.65 1.60 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.79 4.08 0.00 2.04 2.02 0.00 3.18 0.00 0.00 3.04 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.06 4.93 0.00 2.70 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 *71 G 8.62 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 72 D 8.36 4.70 0.00 2.86 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 73 Y 8.27 4.23 0.00 2.81 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 74 A 8.09 3.97 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 75 E 7.79 3.91 0.00 2.17 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 0.00 2.32 2.29 0.00 *77 N 8.28 4.77 0.00 2.77 2.76 0.00 0.00 6.90 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 78 G 8.06 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 79 V 7.49 3.69 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 1.01 0.00 0.00 1.02 0.00 0.00 80 W 8.29 4.27 0.00 3.50 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 81 D 8.74 4.42 0.00 2.75 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 82 A 7.60 4.12 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 83 W 7.34 4.34 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 6.60 2.81 1.79 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 -0.10 0.00 0.00 0.81 0.00 0.00 85 A 7.80 4.01 1.01 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 86 A 8.44 3.92 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 87 G 9.02 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 88 R 7.80 4.66 0.00 1.74 1.76 0.00 3.07 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 89 T 7.85 4.18 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 90 P 0.00 4.78 0.00 2.29 2.29 0.00 4.02 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 2.38 2.24 0.00 91 A 8.80 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.33 5.19 0.00 1.80 1.68 0.00 2.21 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 93 A 8.68 4.68 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.57 5.03 0.00 2.86 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 95 V 8.48 4.54 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 0.66 0.00 0.00 0.97 0.00 0.00 96 E 8.65 5.03 0.00 2.03 1.82 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 2.35 2.41 0.00 97 A 9.09 4.77 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 98 R 8.75 4.09 0.00 1.81 1.87 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.04 4.71 0.00 1.89 1.91 1.14 0.90 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 0.00 100 A 8.79 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 6.79 4.31 0.00 0.67 1.15 0.00 2.99 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 102 P 0.00 4.21 0.00 1.96 2.06 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 E 7.79 4.11 0.00 2.00 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 0.00 2.29 2.33 0.00 104 W 7.66 4.70 0.00 3.47 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.80 4.69 0.00 1.84 2.15 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 106 V 7.62 5.10 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 0.66 0.00 0.00 0.91 0.00 0.00 107 E 9.54 4.65 0.00 2.00 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 2.28 2.20 0.00 108 I 8.48 4.98 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.96 0.00 0.00 109 K 9.20 4.58 0.00 1.94 1.74 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 110 I 8.42 5.03 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.98 0.00 0.00 111 T 8.91 4.82 4.10 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 0.00 0.00 0.00 0.53 0.00 0.00 112 A 8.81 4.85 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 0.00 113 V 8.20 4.87 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 0.82 0.00 0.00 1.02 0.00 0.00 114 K 8.57 4.37 0.00 1.68 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.41 7.81 115 R 8.11 4.08 0.00 1.66 1.80 0.00 3.09 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 116 D 8.49 4.49 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.