NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9454 8.4093 119.4812 52.7231 39.3659 173.5958 3 N 4.8352 8.2363 114.5712 51.5946 41.2222 173.5197 4 I 4.8348 8.3727 122.6607 60.5448 39.9303 176.4427 5 R 4.4856 7.9468 121.3205 56.1377 33.2074 173.3422 6 L 4.0080 8.8073 118.4059 56.0412 42.2934 176.6058 7 L 4.6575 8.1732 124.9176 53.6472 43.6317 175.2429 8 N 5.2350 8.3938 123.1778 50.1253 40.3680 175.6223 9 Q 4.0701 8.7309 118.0059 57.3397 27.7464 176.7226 10 N 4.8472 8.1666 115.7812 54.3632 39.4143 181.6859 11 D 4.8005 8.5838 120.7282 57.3600 39.8386 184.0786 12 L 4.2862 7.5664 126.1433 61.4149 40.8868 184.4084 13 D 4.6648 8.3520 124.0603 59.5023 39.5814 180.8729 14 S 4.3616 8.3185 121.4433 64.2637 61.9893 178.7012 *15 Y 4.3057 8.4250 126.4146 62.8488 36.8508 181.6122 16 I 4.1048 8.3376 123.2884 65.1467 35.5278 179.9789 17 E 4.5912 8.1666 119.3210 60.7342 29.8425 182.9006 18 L 4.5100 7.9479 122.7877 57.7234 41.4062 182.8439 *20 K 4.3908 8.0758 122.2348 55.4408 34.0398 180.1448 *21 F 4.1889 7.9034 117.3514 58.1622 38.6993 183.2077 22 G 4.0767 8.3171 107.7049 45.2162 0.0000 175.6424 *23 H 4.1379 7.8268 115.7038 57.2987 28.1768 180.7238 24 H 4.5009 7.7887 117.0061 56.6432 27.7369 175.0109 25 N 4.2377 8.5495 125.6184 56.1047 37.0156 177.3878 *26 Y 3.7175 7.6256 113.8956 57.0855 36.4721 180.5721 27 E 3.7921 7.7233 118.5770 58.0278 27.1547 177.3052 28 W 4.6512 7.8665 120.9480 59.9275 29.3489 176.7228 29 D 4.2694 8.7045 118.8810 57.5469 39.8244 178.5003 30 R 4.0886 8.0400 122.7954 60.5908 30.7533 178.9146 *31 Y 4.1891 7.9782 119.4537 62.4070 36.9060 179.5398 32 Y 4.3786 7.8544 120.3239 60.9280 38.6602 178.7244 33 L 3.8849 8.4078 118.3776 57.3115 41.6836 178.7931 34 E 4.0571 8.2654 119.4844 58.4823 29.7054 176.9534 35 N 4.6601 7.8589 113.5349 53.1085 40.3677 174.9838 36 V 3.6699 7.3346 118.3285 60.6091 31.3602 176.5791 37 S 4.3417 8.4567 122.1178 58.0242 64.4174 174.6427 38 I 3.5720 8.8994 129.3798 67.4385 35.0596 179.7558 39 D 4.0489 7.2633 116.0995 55.3463 43.0020 177.8905 40 R 3.9345 7.6269 119.8882 59.1523 30.8706 178.0160 41 L 4.1399 8.0291 122.7090 58.9756 42.0506 179.4946 42 K 3.8187 8.7054 123.4453 60.8836 31.6576 181.0475 43 T 3.9481 7.5755 116.6146 66.6838 68.1242 176.2487 44 I 3.6033 7.5539 120.6155 64.4045 37.2934 178.4272 45 L 4.0725 7.7906 119.6916 56.2761 39.9593 177.7402 46 S 4.2402 6.9733 112.5075 57.9690 63.6552 173.8389 47 N 4.5875 8.1898 117.0345 53.3167 37.2401 175.6436 48 H 4.4642 7.6260 118.3376 58.6542 29.3270 176.8493 49 T 3.3679 6.5484 109.4909 60.5280 65.9909 173.1146 50 D 4.0818 7.6528 129.0458 58.0838 41.3780 176.7945 51 Y 5.1450 7.3462 113.2749 57.2673 39.7523 174.6277 52 W 5.5418 7.9854 117.2249 54.8244 30.4694 174.6781 53 N 4.9063 9.3894 121.6167 51.2807 42.5672 173.2814 54 I 4.6867 7.9417 122.7836 59.8374 39.8066 174.5381 55 F 5.2347 9.4178 125.3719 55.7407 42.0104 174.9122 56 G 4.6402 8.8927 108.0181 43.8591 0.0000 171.3163 57 A 4.7456 8.7259 125.4313 51.0555 20.6627 176.0391 58 F 5.6408 9.1551 120.5415 54.8261 42.4065 174.0734 59 E 4.6183 8.9118 125.9627 55.9882 31.0855 176.1071 60 D 4.2642 9.1078 128.0112 55.0336 38.3284 171.4136 61 D 4.8324 9.0280 118.5980 56.6518 39.9354 173.2694 62 E 4.2415 7.9445 117.2101 54.6502 30.4195 179.8929 63 L 3.7870 7.5694 127.5800 53.7955 42.8588 176.5318 64 V 4.4652 8.4362 123.9107 61.3145 32.7982 174.7596 65 A 5.0577 7.6819 122.0001 51.4645 23.0439 174.7462 66 T 4.9154 8.5516 112.4387 61.3935 71.7646 172.3161 67 C 4.8633 8.7378 123.6543 58.9802 36.0438 172.4309 68 T 4.9434 9.0073 123.8657 62.0717 70.4124 173.3159 69 L 4.8910 9.3124 129.1361 53.4762 44.3045 175.0858 70 K 4.9397 8.6478 129.2888 54.2875 33.0555 175.2030 71 Q 4.8806 9.1460 135.0000 55.0806 30.8879 177.5603 *73 N 4.2691 8.3044 107.7055 52.4916 38.3528 173.7741 74 Y 4.6970 7.1344 114.3128 56.6768 40.6503 176.5222 75 V 3.5019 8.2947 121.9661 64.7817 31.8481 177.3836 76 G 4.1351 8.9548 114.6510 45.5546 0.0000 174.4536 77 K 4.5643 7.6535 122.1937 54.9726 31.6046 176.9631 78 C 4.2684 8.8796 121.7839 60.3409 28.7901 173.3446 79 H 4.7771 8.2116 113.6473 56.4204 29.3294 174.2475 80 K 5.1512 7.3980 117.0579 55.0768 36.1513 174.6131 81 A 4.8415 8.2710 119.6589 51.5932 23.4573 175.3889 82 I 4.7121 8.7140 113.4733 58.9531 40.6210 174.6914 83 L 4.8455 8.7035 128.9141 55.2178 42.3731 176.6563 84 E 4.2860 8.9618 120.1671 55.5249 34.7949 171.3933 85 N 3.3780 7.9062 113.9458 54.7373 35.4959 176.0428 86 N 5.3965 7.3695 117.0406 53.0387 37.8201 172.6085 87 F 4.9358 8.0641 121.9644 55.8170 41.4469 174.9062 88 V 4.5106 8.4419 118.0202 61.6089 35.0257 174.7393 89 K 4.0242 8.5398 126.6285 55.7951 30.3976 175.3946 90 N 4.3637 9.2482 116.8745 53.8270 39.0929 174.1859 91 N 4.2376 8.6808 122.4495 53.4533 36.1607 172.7426 92 D 4.7394 8.1717 121.6541 52.0722 42.4270 176.3177 93 E 3.5768 8.5550 124.6921 57.2470 30.4174 177.4646 94 I 3.6895 7.2776 121.3672 63.9426 37.6117 178.1027 95 V 4.0748 7.7964 124.2053 64.7888 31.3986 177.8459 96 N 4.5163 7.9039 115.9642 55.0054 38.6896 176.5341 97 R 3.9328 8.1524 120.5069 60.0363 30.1943 177.6169 98 E 4.7297 8.2367 119.0856 58.8609 29.5285 179.2301 99 L 3.9531 8.0337 119.8208 58.5110 42.2190 179.3042 100 I 3.8308 7.3974 119.1188 63.9680 36.9080 177.9945 101 N 4.2637 8.1979 117.7716 56.6754 38.3868 176.4678 102 H 3.9610 8.1318 119.1357 59.5732 29.9122 177.1757 103 I 3.1001 7.6363 121.2690 64.3753 36.8554 178.5542 104 I 3.8268 7.9258 120.6178 64.2731 36.9300 178.3728 105 Q 3.9094 8.5165 120.8858 59.2753 29.0246 177.1648 106 Y 3.9724 8.6025 120.8487 61.0608 38.7192 178.3314 107 A 4.2171 8.7506 124.1358 55.3586 18.4610 180.4450 108 K 3.9540 8.4647 122.9284 60.0624 31.5941 182.1143 109 E 4.1382 8.3863 119.2859 59.3256 29.4990 178.8964 110 Q 4.1333 7.4879 114.6159 55.7781 28.9974 176.0630 111 N 4.3696 7.7446 116.1794 53.9551 36.3488 174.0097 112 I 4.2640 7.5939 119.9353 61.0594 37.6217 175.8502 113 E 4.4046 9.4500 126.1234 57.5235 31.3205 176.6044 114 T 5.1314 7.9301 116.2793 61.0205 70.9152 174.0363 115 L 5.7271 9.0342 133.0914 53.1949 44.9208 172.3663 *117 I 3.8486 7.9978 114.7423 61.5118 37.2523 172.7363 118 A 3.9655 7.5310 129.4968 50.3316 18.9932 176.4385 119 I 4.5259 8.2303 124.0116 59.2352 39.7726 175.4808 120 A 5.1983 9.3319 128.7881 52.3820 18.9555 177.8739 121 S 4.2258 9.4544 118.9367 62.4453 62.5465 176.1097 122 N 4.0937 8.2390 116.0808 55.6770 36.3297 175.1559 123 N 4.3458 7.7946 122.3006 52.7207 39.2255 174.6438 124 I 4.3842 7.9874 121.7959 61.2428 38.9440 177.6236 125 S 4.0797 7.9384 117.1839 61.7223 62.9034 175.9428 126 A 4.2349 7.8134 122.0795 55.1977 18.2157 179.7272 127 K 4.0079 7.6372 114.4657 59.8078 32.1660 179.9977 128 V 3.7750 7.9355 119.2738 64.6660 31.1198 177.8605 129 F 4.2410 8.2717 120.9772 61.4969 39.6708 176.9355 130 F 3.7462 8.4919 116.9175 59.9076 38.6599 177.6407 131 S 4.4042 8.0711 113.0349 61.5825 62.0387 175.9051 132 S 4.5029 7.9666 112.8789 59.4863 62.9225 175.0762 133 I 4.0690 7.8959 123.6821 62.6101 37.4985 175.2752 134 G 3.6416 7.6267 106.4779 44.8538 0.0000 173.5660 135 F 4.5126 8.3693 120.1501 57.9195 39.3408 175.0836 136 E 4.5227 9.2928 124.3161 55.5986 31.5467 175.1698 137 N 5.0124 8.9455 121.2736 53.1283 39.1675 173.8461 138 L 4.6890 9.1328 128.3722 56.5571 43.8099 176.1100 139 A 4.7892 7.9343 117.5969 50.9414 22.6117 174.5450 140 F 5.3673 8.9097 122.0368 56.7549 41.6558 174.9657 141 E 4.2448 8.7781 125.9504 53.7471 32.4509 174.5032 142 K 4.1565 7.9962 129.5409 56.8878 33.4222 176.5954 143 N 4.6952 10.0146 125.5366 54.1155 36.4816 175.3759 144 A 4.3313 7.3372 120.9679 55.3251 18.8536 179.0952 145 S 4.7734 8.2114 108.9701 57.0433 67.1305 173.5347 146 K 4.6088 8.5306 122.7788 55.3364 33.9207 175.3573 147 I 4.4532 8.6074 128.6383 60.3726 40.1300 177.0025 148 G 3.9496 9.1526 116.3123 46.9279 0.0000 173.9189 149 N 4.6173 9.2838 114.7750 52.4908 39.7221 173.6371 150 E 4.0958 8.1914 121.3962 54.4057 29.6448 174.5371 151 Y 4.7331 8.1176 125.1105 57.7101 38.3220 175.6246 152 F 4.8657 9.0833 123.6377 56.6171 41.4943 174.8259 153 D 5.4615 9.0103 121.8087 53.3372 44.6007 175.5969 154 E 5.2239 8.8134 118.3181 54.9137 34.3027 175.0717 155 N 5.4249 9.0349 119.9174 51.4512 40.9741 174.2754 156 W 4.7901 10.0171 126.0614 56.0273 30.0194 175.4995 157 L 5.4861 8.6523 125.4931 52.9901 43.7928 175.9687 158 I 5.6113 9.0919 114.6049 58.6712 41.9721 173.7617 159 Y 4.4551 8.1092 122.8518 56.4264 41.5479 173.2309 160 S 4.9981 8.1820 122.2234 57.7062 63.5319 173.6676 161 T 4.3387 8.9124 116.0362 61.9453 70.1184 175.1658 162 T 4.0260 7.6064 124.1784 64.1264 68.5275 174.1126 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 N 8.41 4.95 0.00 2.78 2.89 0.00 0.00 6.81 6.91 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 3 N 8.24 4.84 0.00 2.87 2.88 0.00 0.00 7.02 6.95 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 4 I 8.37 4.83 1.73 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.89 0.00 0.00 5 R 7.95 4.49 0.00 1.44 1.73 0.00 3.26 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 6 L 8.81 4.01 0.00 1.45 1.49 1.10 0.90 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 7 L 8.17 4.66 0.00 1.66 1.45 1.03 1.25 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 8 N 8.39 5.23 0.00 2.77 2.80 0.00 0.00 6.85 7.44 0.00 0.00 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 Q 8.73 4.07 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.88 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 10 N 8.17 4.85 0.00 2.62 2.82 0.00 0.00 6.99 8.07 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 11 D 8.58 4.80 0.00 2.63 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 12 L 7.57 4.29 0.00 1.47 1.72 0.92 1.04 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 13 D 8.35 4.66 0.00 2.67 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 14 S 8.32 4.36 0.00 3.72 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 *15 Y 8.43 4.31 0.00 2.36 2.26 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 16 I 8.34 4.10 1.87 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 1.38 1.10 0.91 0.00 0.00 17 E 8.17 4.59 0.00 2.08 1.88 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 2.23 2.18 0.00 18 L 7.95 4.51 0.00 1.71 1.57 0.92 0.67 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 *20 K 8.08 4.39 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *21 F 7.90 4.19 0.00 2.20 2.32 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 22 G 8.32 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 0.00 0.00 0.00 *23 H 7.83 4.14 0.00 2.98 3.02 0.00 7.22 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.79 4.50 0.00 3.50 3.91 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.55 4.24 0.00 2.79 2.90 0.00 0.00 6.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 Y 7.63 3.72 0.00 2.26 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 0.00 0.00 0.00 0.00 27 E 7.72 3.79 0.00 1.98 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 2.27 2.24 0.00 28 W 7.87 4.65 0.00 3.65 3.12 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 0.00 0.00 0.00 29 D 8.70 4.27 0.00 2.68 2.43 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 30 R 8.04 4.09 0.00 1.80 2.03 0.00 3.30 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 *31 Y 7.98 4.19 0.00 2.31 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 0.00 0.00 0.00 0.00 32 Y 7.85 4.38 0.00 3.10 3.53 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 33 L 8.41 3.88 0.00 1.84 1.68 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.27 4.06 0.00 2.00 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 0.00 2.32 2.38 0.00 35 N 7.86 4.66 0.00 2.67 2.80 0.00 0.00 6.93 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 36 V 7.33 3.67 1.31 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 -0.17 0.00 0.00 0.77 0.00 0.00 37 S 8.46 4.34 0.00 3.88 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 38 I 8.90 3.57 1.87 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 1.52 0.56 0.91 0.00 0.00 39 D 7.26 4.05 0.00 2.73 2.64 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 0.00 0.00 0.00 0.00 40 R 7.63 3.93 0.00 1.86 2.04 0.00 3.35 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 41 L 8.03 4.14 0.00 1.82 1.84 1.02 0.57 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 42 K 8.71 3.82 0.00 1.74 1.83 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.38 7.81 43 T 7.58 3.95 4.52 0.00 0.00 0.00 0.00 0.00 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 44 I 7.55 3.60 2.01 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 1.89 0.75 1.03 0.00 0.00 45 L 7.79 4.07 0.00 1.81 1.65 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.97 4.24 0.00 3.84 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 47 N 8.19 4.59 0.00 2.71 2.81 0.00 0.00 6.05 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 48 H 7.63 4.46 0.00 3.05 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 6.55 3.37 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 0.56 0.00 0.00 50 D 7.65 4.08 0.00 2.02 1.54 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 51 Y 7.35 5.14 0.00 3.39 3.12 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 0.00 0.00 0.00 52 W 7.99 5.54 0.00 3.25 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 53 N 9.39 4.91 0.00 2.35 2.03 0.00 0.00 6.48 8.60 0.00 0.00 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 I 7.94 4.69 1.77 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 1.34 0.72 0.92 0.00 0.00 55 F 9.42 5.23 0.00 2.90 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 56 G 8.89 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.73 4.75 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 58 F 9.16 5.64 0.00 3.08 3.13 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 59 E 8.91 4.62 0.00 1.85 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 2.30 2.22 0.00 60 D 9.11 4.26 0.00 2.81 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 0.00 0.00 0.00 0.00 61 D 9.03 4.83 0.00 2.69 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 62 E 7.94 4.24 0.00 1.90 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 2.16 2.09 0.00 63 L 7.57 3.79 0.00 0.96 1.32 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.44 4.47 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 0.69 0.00 0.00 0.88 0.00 0.00 65 A 7.68 5.06 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 66 T 8.55 4.92 4.33 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 1.50 0.00 0.00 67 C 8.74 4.86 0.00 3.10 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 68 T 9.01 4.94 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 1.33 0.00 0.00 69 L 9.31 4.89 0.00 1.98 1.87 1.09 0.92 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 70 K 8.65 4.94 0.00 1.94 1.68 0.00 1.09 0.00 0.00 1.37 0.00 0.00 2.57 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.20 1.07 7.81 71 Q 9.15 4.88 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 *73 N 8.30 4.27 0.00 2.65 2.21 0.00 0.00 5.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.13 4.70 0.00 2.98 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 75 V 8.29 3.50 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 0.99 0.00 0.00 0.97 0.00 0.00 76 G 8.95 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 77 K 7.65 4.56 0.00 2.03 1.69 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.64 7.81 78 C 8.88 4.27 0.00 3.29 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 79 H 8.21 4.78 0.00 3.26 3.55 0.00 5.20 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.40 5.15 0.00 1.57 1.74 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 0.95 7.81 81 A 8.27 4.84 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 82 I 8.71 4.71 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 1.06 0.00 0.00 83 L 8.70 4.85 0.00 1.28 1.48 0.93 0.95 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 84 E 8.96 4.29 0.00 1.62 1.74 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 2.14 2.16 0.00 85 N 7.91 3.38 0.00 2.66 2.67 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.37 5.40 0.00 2.71 2.67 0.00 0.00 7.31 7.02 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 87 F 8.06 4.94 0.00 3.03 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 88 V 8.44 4.51 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 0.61 0.00 0.00 0.88 0.00 0.00 89 K 8.54 4.02 0.00 1.81 1.44 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.29 7.81 90 N 9.25 4.36 0.00 2.66 2.80 0.00 0.00 6.82 8.00 0.00 0.00 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 N 8.68 4.24 0.00 2.67 2.77 0.00 0.00 6.91 8.06 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 92 D 8.17 4.74 0.00 2.67 2.56 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 93 E 8.55 3.58 0.00 2.23 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 2.28 2.40 0.00 94 I 7.28 3.69 2.11 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 1.48 0.60 0.92 0.00 0.00 95 V 7.80 4.07 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 1.19 0.00 0.00 0.95 0.00 0.00 96 N 7.90 4.52 0.00 2.81 2.47 0.00 0.00 6.85 7.53 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 97 R 8.15 3.93 0.00 2.24 2.23 0.00 3.20 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 98 E 8.24 4.73 0.00 2.35 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 2.44 2.35 0.00 99 L 8.03 3.95 0.00 1.91 1.71 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.40 3.83 1.93 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 1.69 0.57 0.91 0.00 0.00 101 N 8.20 4.26 0.00 3.02 2.88 0.00 0.00 6.50 7.43 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 0.00 102 H 8.13 3.96 0.00 3.18 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.64 3.10 1.83 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 0.73 0.49 0.93 0.00 0.00 104 I 7.93 3.83 2.07 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 1.05 0.00 0.00 105 Q 8.52 3.91 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 106 Y 8.60 3.97 0.00 2.95 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 0.00 107 A 8.75 4.22 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.46 3.95 0.00 1.74 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 109 E 8.39 4.14 0.00 2.00 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 2.31 2.32 0.00 110 Q 7.49 4.13 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.37 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 111 N 7.74 4.37 0.00 2.88 2.99 0.00 0.00 6.96 8.71 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 0.00 112 I 7.59 4.26 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 1.06 0.00 0.00 113 E 9.45 4.40 0.00 2.05 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 2.30 2.11 0.00 114 T 7.93 5.13 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 1.21 0.00 0.00 115 L 9.03 5.73 0.00 1.35 1.53 0.92 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0.00 0.00 0.00 0.00 0.00 133 I 7.90 4.07 1.98 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.16 0.75 0.00 0.00 134 G 7.63 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.37 4.51 0.00 3.26 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 0.00 136 E 9.29 4.52 0.00 1.93 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 0.00 2.34 2.42 0.00 137 N 8.95 5.01 0.00 2.78 2.80 0.00 0.00 6.97 7.62 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 0.00 138 L 9.13 4.69 0.00 1.74 2.02 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.93 4.79 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 0.00 140 F 8.91 5.37 0.00 3.05 3.06 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 0.00 0.00 0.00 0.00 141 E 8.78 4.24 0.00 2.17 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 2.13 2.20 0.00 142 K 8.00 4.16 0.00 1.78 1.56 0.00 1.86 0.00 0.00 2.01 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 143 N 10.01 4.70 0.00 2.77 2.88 0.00 0.00 6.98 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 0.00 144 A 7.34 4.33 1.47 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 0.00 0.00 145 S 8.21 4.77 0.00 3.99 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 0.00 146 K 8.53 4.61 0.00 1.74 1.69 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.61 7.81 147 I 8.61 4.45 2.25 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 1.33 0.44 1.04 0.00 0.00 148 G 9.15 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 0.00 149 N 9.28 4.62 0.00 2.61 2.69 0.00 0.00 6.58 7.66 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 0.00 150 E 8.19 4.10 0.00 1.81 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 1.51 2.00 0.00 151 Y 8.12 4.73 0.00 2.86 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 0.00 152 F 9.08 4.87 0.00 3.11 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 0.00 153 D 9.01 5.46 0.00 2.80 2.65 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 0.00 154 E 8.81 5.22 0.00 1.63 1.75 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 2.12 2.12 0.00 155 N 9.03 5.42 0.00 2.69 2.88 0.00 0.00 7.06 7.86 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 0.00 156 W 10.02 4.79 0.00 3.43 3.22 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 0.00 157 L 8.65 5.49 0.00 1.54 1.91 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 158 I 9.09 5.61 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.62 1.06 0.00 0.00 159 Y 8.11 4.46 0.00 1.43 2.28 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 0.00 160 S 8.18 5.00 0.00 3.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 4.34 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 1.36 0.00 0.00 162 T 7.61 4.03 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 * Residues marked with a * may have inaccurate shift predictions.