NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 3.9631 8.4401 120.1779 57.5287 30.2128 179.0109 2 A 2.9099 7.4949 119.7272 52.1442 21.1263 174.7019 3 R 4.2399 7.4215 115.4499 54.1949 32.2745 173.4179 4 P 4.7333 0.0000 0.0000 62.1956 33.2901 175.4509 5 I 4.0874 8.4703 122.5314 60.7272 38.3050 175.2616 6 V 4.3985 8.4304 127.8703 62.4108 32.1422 175.8317 7 V 4.3627 8.4539 121.7698 59.2460 34.0398 176.0410 8 G 3.7075 8.4748 110.8654 44.9494 0.0000 171.9877 9 P 4.5701 0.0000 0.0000 60.7523 32.5121 174.2545 10 P 4.4303 0.0000 0.0000 61.8206 31.8152 174.6066 11 P 4.4351 0.0000 0.0000 61.7133 31.9173 174.7633 12 P 4.3822 0.0000 0.0000 62.9831 31.7033 176.7505 13 L 4.1953 8.1419 122.3146 55.6220 41.8560 176.8731 *34 T 4.1069 7.7100 112.0749 62.3359 68.3165 174.0793 35 K 3.8403 8.3469 125.1102 57.9713 32.5554 176.6250 36 D 4.4452 8.6595 124.9643 55.5091 38.3451 173.5215 37 R 4.4248 6.8432 115.1908 54.2061 33.1887 175.8220 38 F 4.6522 7.8152 118.4637 57.0154 41.2182 173.9946 39 Y 5.2611 8.6125 117.3896 56.2587 40.5527 175.1743 40 L 4.8465 9.1235 125.2743 53.3260 45.5561 174.6398 41 Q 4.6458 8.7225 127.5610 53.7882 29.9473 173.4812 42 P 4.2231 0.0000 0.0000 62.6364 32.0782 175.6968 43 L 4.8839 8.1191 120.8376 51.8348 45.1031 175.3412 44 P 4.5026 0.0000 0.0000 61.6936 33.3258 175.7838 45 P 4.2686 0.0000 0.0000 66.4449 31.1093 179.1449 46 T 3.8717 7.8277 113.5388 66.8498 68.5005 176.6043 47 E 3.9867 8.1772 119.6905 59.0784 29.4648 179.0995 48 A 4.0013 8.5629 121.3642 55.0456 18.4882 179.5313 49 A 3.9398 8.0923 119.3600 55.2674 18.5801 179.6665 50 Q 3.8756 7.8636 118.2407 59.3984 29.0948 178.4959 51 R 3.8385 8.2113 119.5349 59.1266 29.9411 178.3002 52 A 4.0470 8.2270 120.9222 55.1399 18.3849 179.7782 53 K 3.9207 8.0409 116.9271 59.3864 32.0746 179.8505 54 V 3.5376 7.6774 118.0967 66.2436 31.5353 178.2967 55 S 4.4824 8.6917 116.3816 60.8939 62.5224 176.4666 56 A 4.0096 8.3419 124.0079 55.2921 17.9245 179.7388 57 S 4.1003 7.7921 111.3006 61.8644 62.9611 176.3410 58 E 4.1530 8.2401 122.1275 59.0317 29.2011 179.2757 59 I 3.8146 7.9923 120.0274 64.4534 37.2822 178.3213 60 L 4.3410 7.8627 118.8988 56.8642 41.2453 177.9656 61 N 4.7276 7.6994 114.7963 54.3423 39.1944 176.0233 62 V 3.9570 7.9348 112.5348 62.6740 31.9060 177.5433 63 K 3.3352 7.5471 119.7890 59.3793 31.9469 178.2029 64 Q 3.7753 7.7077 117.2632 59.4522 28.1792 178.8320 65 F 4.3082 7.3624 119.4534 60.0768 38.9146 177.7676 66 I 3.4054 7.5647 118.9736 64.5602 36.7995 178.1336 67 D 4.3198 7.8251 118.1384 56.7750 40.6705 178.0720 68 R 4.2132 7.4723 115.4650 54.7477 30.6515 176.2313 69 K 2.4800 7.2150 116.9582 57.1695 30.5056 177.2773 70 A 4.2678 7.2867 121.1475 50.4588 16.2861 177.4617 71 W 4.3429 7.4426 124.8078 58.8992 29.7956 176.1882 72 P 4.2949 0.0000 0.0000 65.7366 30.7758 178.8403 73 S 3.8122 7.8265 113.4786 61.1134 62.5887 176.2352 74 L 3.7949 7.6568 122.8893 58.2879 41.9213 178.9848 75 Q 4.0563 8.2289 117.9207 59.2245 28.7475 178.8648 76 N 4.4884 8.4272 117.6837 56.2321 38.6083 177.1288 77 D 4.2378 8.1154 119.4662 57.2971 41.3642 177.9211 78 L 4.0327 8.2367 121.1644 58.3924 42.0622 179.2221 79 R 4.0262 8.2656 118.0197 58.9051 29.8465 178.7165 80 L 2.9876 7.5947 120.0139 57.9740 41.9242 179.3491 81 R 4.0132 7.9547 117.6668 59.2498 29.9402 178.9831 82 A 4.2912 8.5273 121.0514 55.1973 18.5231 179.8289 83 S 4.0771 8.1362 113.7485 61.9928 62.8694 176.6545 84 Y 4.4622 7.6166 119.2897 61.2774 37.6340 178.3668 85 L 4.2254 8.4140 120.0712 57.8125 41.6227 179.6420 86 R 3.3651 8.3895 118.8790 59.2691 29.9503 178.0483 87 Y 3.6803 7.6858 118.1550 60.8246 38.8801 177.4933 88 D 4.5234 8.7753 120.3059 57.5147 40.8612 178.8614 89 L 4.0421 8.4476 119.8965 57.4309 41.5740 179.4165 90 K 3.8317 7.8127 119.5882 59.7398 31.8714 178.9189 91 T 3.8068 7.5520 114.7802 66.5876 68.8180 176.4568 92 V 3.7387 7.9502 120.0598 66.1453 31.6303 177.9765 93 I 3.7166 8.0025 119.8009 64.7237 36.7265 178.6129 94 S 4.1427 8.0037 114.5001 60.9186 62.7103 175.1556 95 A 4.4032 7.6131 121.7114 52.3299 19.2994 177.6152 96 K 4.2663 7.4986 115.3298 54.9320 32.9389 175.3486 97 P 4.3258 0.0000 0.0000 62.5432 31.8191 177.3057 98 K 3.8038 9.0054 123.5408 59.8764 31.9408 177.8575 99 D 4.6205 8.0540 114.2733 54.5390 39.5242 176.5886 100 E 4.6078 8.3157 119.2129 56.1814 30.9418 178.0223 101 K 4.0113 7.7116 119.1050 59.4116 32.1448 179.3556 102 K 3.9698 7.9426 118.2980 59.3348 32.0403 179.1914 103 S 4.0715 7.9991 112.9739 61.4047 62.3165 175.8851 104 L 3.9595 7.6608 122.8694 58.1256 41.7671 178.6117 105 Q 3.9645 8.3908 119.8343 59.1750 28.9686 178.2210 106 E 3.9715 8.4003 119.6831 59.4113 29.5496 179.2682 107 L 4.0373 8.1123 119.0816 58.1004 41.5620 179.8013 108 T 3.9824 8.2499 115.9213 66.6476 68.3708 176.7450 109 S 4.1915 8.3742 115.2661 61.2685 62.4934 176.1076 110 K 3.9291 8.1998 122.3703 59.3087 31.8620 178.4830 111 L 3.8047 7.9454 120.5882 58.3164 41.9580 179.1013 112 F 3.6907 8.4244 117.8657 60.2596 38.7315 177.8897 113 S 4.1471 8.3793 115.4384 61.6510 62.5821 176.9011 114 S 4.1094 7.9996 116.7731 61.2625 62.7043 176.6102 115 I 3.7627 7.8607 123.5730 64.3880 36.8281 178.0703 116 D 4.3806 8.4468 120.0624 57.5544 40.5280 178.7368 117 N 4.0242 8.1679 117.0341 55.7949 38.3110 177.2841 118 L 4.1306 8.1617 122.2605 58.1099 42.1221 178.4549 119 D 4.3849 8.3648 118.1995 57.6307 41.3043 177.6105 120 H 4.0628 8.4372 118.5682 59.3717 29.8358 177.0226 121 A 3.8835 8.3837 122.4847 55.0202 18.1877 179.5224 122 A 3.8865 8.2140 119.3535 55.1114 18.2843 179.5978 123 K 3.8004 8.0473 117.6262 59.1594 32.3113 178.0036 124 I 3.9592 7.1590 109.5277 59.4309 38.7277 175.3661 125 K 2.0000 6.8962 118.7191 57.2692 29.7522 176.5023 126 S 4.4571 7.1404 113.8239 55.8774 63.1850 172.2576 127 P 4.6028 0.0000 0.0000 65.8598 31.1460 178.7256 128 T 3.8687 7.8611 107.9756 65.1160 68.7424 176.3600 129 E 3.8569 8.2693 121.8818 58.4691 29.3597 179.2380 130 A 4.2010 8.3507 121.0551 55.3437 18.5290 179.4624 131 E 3.9960 8.6131 117.5145 59.3545 29.5247 179.4513 132 K 3.7974 8.0310 119.4864 59.9885 32.3016 178.5617 133 Y 4.4168 8.0904 116.9680 60.7914 37.7396 177.6304 134 Y 4.1959 8.7214 121.5787 60.5953 38.7990 178.1043 135 G 3.6544 8.4372 106.7541 47.9974 0.0000 175.6757 136 Q 4.0270 8.1198 120.4124 59.0492 28.7117 178.9897 137 T 3.8242 7.8911 118.1263 65.7533 68.4116 176.6728 138 V 3.3341 7.5198 120.2787 66.1543 31.5983 177.9966 139 S 4.0591 7.6843 112.5874 61.6032 62.1478 175.9608 140 N 4.3745 8.4207 119.3539 56.0519 38.1308 177.5652 141 I 3.6227 8.0896 121.7890 64.4836 37.2447 178.0191 142 N 4.2861 8.1134 117.2053 56.5356 38.1343 177.3161 143 E 3.9730 8.0924 119.6139 59.2751 29.5516 179.6229 144 V 3.6095 7.6039 117.9952 66.0802 31.6793 178.0844 145 L 4.0107 8.2890 118.8416 57.7889 41.1676 179.4484 146 A 4.0426 7.8814 120.0387 54.9646 18.3407 179.5264 147 K 4.1132 7.6447 116.3446 59.4102 32.2120 179.3111 148 L 4.1343 7.8405 118.9110 55.6766 41.6155 177.3555 149 G 4.1281 8.0983 111.6455 45.8756 0.0000 173.0552 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 E 8.44 3.96 0.00 1.88 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 2.22 2.19 0.00 2 A 7.49 2.91 1.43 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 3 R 7.42 4.24 0.00 1.77 1.82 0.00 3.23 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 4 P 0.00 4.73 0.00 2.08 2.00 0.00 3.83 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 1.98 2.00 0.00 5 I 8.47 4.09 1.68 0.00 0.00 0.55 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 0.49 1.01 0.00 0.00 6 V 8.43 4.40 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 0.78 0.00 0.00 0.93 0.00 0.00 7 V 8.45 4.36 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 0.96 0.00 0.00 8 G 8.47 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 0.00 0.00 0.00 9 P 0.00 4.57 0.00 2.21 2.09 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 10 P 0.00 4.43 0.00 2.20 2.09 0.00 3.89 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 1.99 1.98 0.00 11 P 0.00 4.44 0.00 2.06 2.03 0.00 3.69 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 2.03 2.11 0.00 12 P 0.00 4.38 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 13 L 8.14 4.20 0.00 1.59 1.66 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *34 T 7.71 4.11 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 1.18 0.00 0.00 35 K 8.35 3.84 0.00 1.75 1.65 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 36 D 8.66 4.45 0.00 2.75 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 37 R 6.84 4.42 0.00 1.44 1.52 0.00 3.20 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 38 F 7.82 4.65 0.00 2.92 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 39 Y 8.61 5.26 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.12 4.85 0.00 1.63 1.34 1.03 -0.25 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 41 Q 8.72 4.65 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 42 P 0.00 4.22 0.00 2.13 2.14 0.00 3.64 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 1.79 0.00 43 L 8.12 4.88 0.00 1.62 1.55 0.87 1.08 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 44 P 0.00 4.50 0.00 2.17 1.98 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 45 P 0.00 4.27 0.00 2.16 2.14 0.00 3.61 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 2.13 2.22 0.00 46 T 7.83 3.87 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 1.21 0.00 0.00 47 E 8.18 3.99 0.00 2.01 1.98 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 2.39 2.37 0.00 48 A 8.56 4.00 1.43 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 49 A 8.09 3.94 1.38 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 0.00 0.00 0.00 50 Q 7.86 3.88 0.00 2.11 2.25 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 2.34 2.38 0.00 51 R 8.21 3.84 0.00 1.82 1.96 0.00 2.28 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 52 A 8.23 4.05 1.43 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 53 K 8.04 3.92 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 54 V 7.68 3.54 2.18 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 1.03 0.00 0.00 0.93 0.00 0.00 55 S 8.69 4.48 0.00 3.97 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 56 A 8.34 4.01 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 57 S 7.79 4.10 0.00 4.07 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 58 E 8.24 4.15 0.00 2.27 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 0.00 2.37 2.50 0.00 59 I 7.99 3.81 2.04 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 1.57 1.11 0.92 0.00 0.00 60 L 7.86 4.34 0.00 1.68 1.77 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.70 4.73 0.00 2.74 2.90 0.00 0.00 7.20 7.23 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 62 V 7.93 3.96 2.40 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 1.01 0.00 0.00 1.20 0.00 0.00 63 K 7.55 3.34 0.00 1.37 1.59 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.38 7.81 64 Q 7.71 3.78 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 1.68 1.26 0.00 65 F 7.36 4.31 0.00 3.20 3.10 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 66 I 7.56 3.41 1.84 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 1.76 0.68 0.97 0.00 0.00 67 D 7.83 4.32 0.00 2.51 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 68 R 7.47 4.21 0.00 1.72 1.87 0.00 3.26 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 69 K 7.22 2.48 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.23 7.81 70 A 7.29 4.27 1.24 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 71 W 7.44 4.34 0.00 3.48 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 0.00 72 P 0.00 4.29 0.00 2.14 2.11 0.00 3.66 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 2.15 2.25 0.00 73 S 7.83 3.81 0.00 3.58 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.66 3.79 0.00 1.91 1.98 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.23 4.06 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 76 N 8.43 4.49 0.00 2.71 3.00 0.00 0.00 6.71 8.72 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 77 D 8.12 4.24 0.00 2.73 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 L 8.24 4.03 0.00 1.97 1.76 1.00 1.37 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 79 R 8.27 4.03 0.00 2.17 2.14 0.00 3.50 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 80 L 7.59 2.99 0.00 0.27 1.35 -0.21 0.69 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 81 R 7.95 4.01 0.00 1.93 2.04 0.00 3.60 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 82 A 8.53 4.29 1.56 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 0.00 0.00 83 S 8.14 4.08 0.00 3.80 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 84 Y 7.62 4.46 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.41 4.23 0.00 2.17 2.28 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.39 3.37 0.00 1.38 1.74 0.00 2.90 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.00 87 Y 7.69 3.68 0.00 3.35 3.15 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 88 D 8.78 4.52 0.00 2.87 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 89 L 8.45 4.04 0.00 1.83 1.79 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.81 3.83 0.00 1.71 1.70 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.37 7.81 91 T 7.55 3.81 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 1.29 0.00 0.00 92 V 7.95 3.74 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 1.04 0.00 0.00 0.98 0.00 0.00 93 I 8.00 3.72 1.98 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 1.53 0.74 0.90 0.00 0.00 94 S 8.00 4.14 0.00 4.00 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 95 A 7.61 4.40 1.29 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 0.00 0.00 96 K 7.50 4.27 0.00 1.97 1.75 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.69 1.56 7.81 97 P 0.00 4.33 0.00 2.17 1.98 0.00 3.77 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 2.25 2.08 0.00 98 K 9.01 3.80 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.47 7.81 99 D 8.05 4.62 0.00 2.80 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 0.00 100 E 8.32 4.61 0.00 2.09 1.98 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 2.21 2.30 0.00 101 K 7.71 4.01 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.70 7.81 102 K 7.94 3.97 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 103 S 8.00 4.07 0.00 3.89 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 0.00 104 L 7.66 3.96 0.00 1.79 1.65 0.94 0.77 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 0.00 105 Q 8.39 3.96 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 106 E 8.40 3.97 0.00 2.21 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 2.34 2.54 0.00 107 L 8.11 4.04 0.00 1.84 1.72 0.97 0.59 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 0.00 108 T 8.25 3.98 4.50 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 1.44 0.00 0.00 109 S 8.37 4.19 0.00 3.96 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 0.00 110 K 8.20 3.93 0.00 1.98 1.95 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.46 7.81 111 L 7.95 3.80 0.00 1.76 1.78 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.42 3.69 0.00 3.27 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 0.00 113 S 8.38 4.15 0.00 4.02 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 0.00 114 S 8.00 4.11 0.00 4.15 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 0.00 115 I 7.86 3.76 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.96 0.00 0.00 116 D 8.45 4.38 0.00 2.87 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 0.00 117 N 8.17 4.02 0.00 1.97 1.42 0.00 0.00 6.64 6.27 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 0.00 118 L 8.16 4.13 0.00 1.98 1.92 1.20 1.63 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 0.00 119 D 8.36 4.38 0.00 2.88 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 0.00 120 H 8.44 4.06 0.00 3.23 3.48 0.00 5.84 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 0.00 121 A 8.38 3.88 1.56 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 0.00 0.00 122 A 8.21 3.89 1.62 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 0.00 0.00 123 K 8.05 3.80 0.00 1.84 1.99 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 124 I 7.16 3.96 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.84 0.00 0.00 125 K 6.90 2.00 0.00 1.51 1.17 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.33 0.91 7.81 126 S 7.14 4.46 0.00 3.71 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 0.00 127 P 0.00 4.60 0.00 2.30 2.25 0.00 3.70 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 128 T 7.86 3.87 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 1.22 0.00 0.00 129 E 8.27 3.86 0.00 2.11 2.24 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 2.33 2.34 0.00 130 A 8.35 4.20 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 0.00 131 E 8.61 4.00 0.00 2.13 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 2.54 2.49 0.00 132 K 8.03 3.80 0.00 1.70 1.51 0.00 1.39 0.00 0.00 1.05 0.00 0.00 2.62 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.85 1.26 7.81 133 Y 8.09 4.42 0.00 3.15 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 0.00 134 Y 8.72 4.20 0.00 3.19 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 0.00 135 G 8.44 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 0.00 136 Q 8.12 4.03 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 137 T 7.89 3.82 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 1.08 0.00 0.00 138 V 7.52 3.33 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 0.92 0.00 0.00 0.48 0.00 0.00 139 S 7.68 4.06 0.00 3.84 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 0.00 140 N 8.42 4.37 0.00 2.68 2.78 0.00 0.00 7.06 8.18 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 0.00 141 I 8.09 3.62 1.98 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 1.57 0.89 0.87 0.00 0.00 142 N 8.11 4.29 0.00 2.90 2.86 0.00 0.00 7.10 6.97 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 0.00 143 E 8.09 3.97 0.00 2.00 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 2.53 2.45 0.00 144 V 7.60 3.61 2.19 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 1.05 0.00 0.00 0.98 0.00 0.00 145 L 8.29 4.01 0.00 1.83 1.70 0.91 0.73 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 0.00 146 A 7.88 4.04 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 0.00 147 K 7.64 4.11 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 148 L 7.84 4.13 0.00 1.64 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.10 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.