NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3424 8.3349 115.2820 58.2463 63.6165 173.4001 3 I 3.4695 5.9292 126.1156 60.7775 38.4029 170.0003 4 V 4.7938 7.3255 122.6491 60.8466 34.4523 174.0618 5 N 5.2067 9.1061 124.5150 51.2785 41.9654 173.8786 6 I 4.3715 8.8190 125.1181 61.8648 37.3209 175.7514 7 L 4.6806 9.1330 127.2806 56.3395 43.1783 177.3490 8 S 4.7482 7.8754 111.5278 56.8702 66.5616 173.4869 9 V 4.8002 8.5677 122.0437 61.3991 33.8533 174.0415 10 N 4.8977 8.9246 125.8242 51.3336 41.2812 174.1106 11 V 3.8064 8.1032 124.4167 61.8208 31.2110 175.6465 12 L 4.1089 8.7733 130.4200 56.8612 42.1575 177.5409 13 N 4.8293 7.8773 115.3832 50.1706 36.9825 171.2210 14 N 4.7642 7.9574 121.9294 52.0265 41.7956 172.2801 15 P 4.9022 0.0000 0.0000 62.9041 32.8080 174.7950 16 A 4.8361 9.0530 121.0350 50.7620 23.2463 176.0702 17 K 3.5002 8.2137 118.4073 55.8505 32.7680 178.1849 18 F 3.7872 8.6344 126.7610 61.5814 39.2270 176.6720 19 S 4.4322 7.7851 112.4936 58.8884 63.2630 173.9856 20 D 4.4408 7.4032 121.2321 53.2659 41.0493 174.8095 21 P 4.4360 0.0000 0.0000 63.2317 32.3906 175.2451 22 Y 4.4583 8.8201 120.5032 57.1363 39.8154 174.8265 23 K 4.9491 8.9343 122.6003 54.8755 35.4292 174.9681 24 F 4.9680 9.0235 124.8532 55.5049 41.7160 174.4985 25 E 4.7355 9.2850 125.9276 54.8290 31.1086 174.4680 26 I 4.9760 7.9826 128.2212 59.6733 40.4687 174.8256 27 T 5.1990 8.9339 123.2612 61.7133 71.5776 173.1937 28 F 5.6521 8.9357 120.6244 55.2027 42.2249 173.0785 29 E 5.1478 9.4632 118.3127 54.9572 32.4316 174.1870 30 C 5.1569 8.9408 122.7466 58.0447 33.2536 174.0148 31 L 4.4285 8.6423 126.2861 55.5986 42.3619 176.3320 32 E 4.7121 7.6688 116.0279 53.3191 33.6813 173.1828 33 P 4.3892 0.0000 0.0000 62.7024 31.8752 176.1734 34 L 4.8765 8.1922 121.5426 52.8248 44.1030 177.1948 35 K 4.2231 9.0154 122.6986 58.4463 32.3762 176.5406 36 S 4.8112 8.2000 113.3349 56.1996 66.5872 172.9744 37 D 4.8704 8.3861 120.8469 54.6475 42.1910 175.6169 38 L 4.6906 8.6902 119.8575 53.5305 44.4111 175.6151 39 E 4.9501 8.7281 122.7124 54.4713 31.8671 174.7162 40 W 5.0768 9.0730 127.7274 55.1624 31.8641 175.4562 41 K 5.2615 9.6844 123.4877 54.7315 36.0063 174.5153 42 L 5.1850 9.1278 127.3887 53.5621 44.9312 175.0215 43 T 5.0387 8.6142 122.6863 61.8609 71.9130 172.4220 44 Y 4.5782 9.1579 128.3617 56.7434 40.4910 174.2000 45 V 4.6102 8.0334 126.1763 61.2924 34.9028 175.6752 46 G 4.1994 8.3756 116.8228 44.5730 0.0000 173.0282 47 S 4.5059 8.3578 114.0755 56.8067 64.0636 174.1245 48 A 4.0320 9.0832 123.3510 55.6800 18.5901 181.2426 49 T 3.5909 8.0226 112.3951 64.4584 68.4815 175.7568 50 S 4.0742 7.7861 113.5345 59.0476 61.7452 171.0692 51 Q 4.4663 7.8902 117.7010 55.0140 29.3988 174.8246 52 S 4.4964 7.7011 112.6280 56.4921 64.9032 172.8038 53 Y 4.8132 7.8390 122.2865 56.1267 39.3382 175.1673 54 D 4.9181 8.7259 123.6157 55.3693 42.2465 176.1503 55 Q 4.4951 8.8910 121.0928 54.7057 32.4422 173.9377 56 I 4.2342 8.5456 128.2782 61.7921 37.1493 176.0808 57 L 4.3479 9.0924 128.0724 57.1654 42.5003 176.9021 58 D 4.7583 7.5007 115.1801 54.0951 44.9678 175.4508 59 T 5.2591 8.7145 109.9574 60.1222 72.3586 172.9407 60 L 4.5755 8.6503 124.5988 53.5024 45.6532 174.8206 61 L 4.7852 8.5809 126.4903 54.1014 42.9531 176.1091 62 V 4.0876 9.0889 124.9446 61.3875 33.2529 175.0520 63 G 4.5158 8.3928 114.8411 45.2058 0.0000 170.0914 64 P 4.5490 0.0000 0.0000 62.5411 31.9039 176.3966 65 I 4.4077 8.0200 120.4783 59.0250 37.8554 174.0694 66 P 4.5617 0.0000 0.0000 61.5378 32.0606 176.7922 67 I 3.9262 8.1142 121.4409 60.8487 37.8034 177.2515 68 G 3.6925 7.3732 111.8158 44.8018 0.0000 170.7021 69 I 4.6301 7.8293 121.8636 60.0279 38.3653 175.2999 70 N 5.0045 8.7214 124.2657 51.3510 42.2360 173.4237 71 K 5.1920 8.1396 120.9013 55.4549 35.6750 174.7013 72 F 4.7932 8.4164 118.9001 56.3519 41.7096 172.4388 73 V 4.5024 8.5389 119.4926 61.0671 33.5577 174.4435 74 F 5.0325 8.9075 130.6561 56.8438 40.9114 174.1954 75 E 4.7278 9.2609 128.7750 55.1435 29.8419 174.7264 76 A 5.0563 8.7149 129.8890 50.1011 21.3495 175.9969 77 D 4.8133 8.8813 121.0109 54.1921 41.7559 175.0011 78 P 4.5176 0.0000 0.0000 61.4444 32.7665 174.1598 79 P 4.2510 0.0000 0.0000 62.4495 31.9360 176.0212 80 N 4.5419 9.9160 122.6981 52.9133 38.9465 175.5388 81 I 4.0229 8.3208 126.0262 62.7153 38.5723 177.2404 82 D 4.4387 8.4150 119.5825 57.5247 40.6699 177.2960 83 L 4.2780 7.7318 116.6831 55.5045 41.9254 177.1362 84 L 4.5815 7.3258 119.7617 51.6702 41.0473 174.4389 85 P 4.2056 0.0000 0.0000 65.7934 31.5096 177.5253 86 Q 4.1312 7.8109 123.0600 54.3090 28.5890 176.8945 87 L 3.9649 8.4725 126.6582 57.6337 42.5235 178.5874 88 S 4.3350 7.9238 111.9396 59.9194 63.2947 175.0623 89 D 4.6180 7.6716 120.4892 55.8514 40.8341 177.8907 90 V 3.9705 7.4217 112.4824 63.6604 31.6987 176.6689 91 L 4.3469 7.4313 119.5272 54.9954 42.9675 178.5785 92 G 3.7424 8.3512 107.8791 45.0346 0.0000 172.1554 93 V 4.5204 8.3281 121.5581 62.5570 32.1758 176.9120 94 T 4.6957 9.1100 118.9287 60.0368 72.3127 172.9415 95 V 4.7517 8.2533 120.2667 61.0741 35.0116 173.9843 96 I 4.9528 8.5990 125.0534 59.1480 41.3865 173.7568 97 L 5.0439 8.8814 129.4090 52.9215 44.3754 175.0569 98 L 5.0796 9.1120 127.7501 53.7060 43.4987 175.3385 99 S 5.2372 9.0768 120.7589 56.6007 67.0088 172.4141 100 C 4.6993 8.1515 119.8745 57.2726 34.5436 172.5729 101 A 5.2289 8.8470 126.4100 50.2066 22.8891 174.2768 102 Y 4.7780 8.3419 119.6443 55.9839 41.8122 175.5620 103 E 3.4896 9.1847 127.2996 57.7093 27.0038 175.0911 104 D 4.4480 8.1904 113.8878 54.4629 38.8186 174.2322 105 N 4.6641 7.5432 117.6884 50.8147 39.4895 173.6895 106 E 4.2177 8.5715 124.3258 56.9263 29.9978 176.4156 107 F 5.4837 8.6094 119.0373 56.5043 40.6600 175.0056 108 V 5.0058 6.8285 118.0613 60.1514 35.1643 174.3304 109 R 4.9192 8.8033 122.4681 55.1305 33.9991 173.5825 110 V 4.5474 9.3628 127.1799 61.2419 33.8352 174.1892 111 G 4.3178 9.0285 116.5265 44.9232 0.0000 171.4060 112 Y 5.1370 8.7471 120.4158 56.0782 42.7093 174.2303 113 Y 4.9123 8.5228 119.3987 57.4701 40.0541 174.5129 114 V 4.9336 9.5764 124.1740 61.2045 34.9387 173.9434 115 N 5.1275 9.0489 125.5378 52.7224 40.2224 173.8801 116 N 5.7838 8.9536 120.6988 51.6683 42.7371 173.1215 117 E 4.9522 9.2080 122.2390 55.3151 33.7167 173.2970 118 M 5.0412 8.5671 125.4059 53.9697 33.9039 175.3846 119 E 4.0477 8.9570 124.8385 56.9797 30.3786 177.7339 120 G 3.8896 8.5693 112.5010 44.5189 0.0000 172.9101 121 L 4.2257 8.1860 119.4756 54.5066 42.2156 177.4690 122 N 4.6376 9.0504 120.5763 51.9957 38.0140 175.6933 123 L 3.9037 8.6665 120.2982 58.7225 41.6491 178.7919 124 Q 3.9864 7.5225 117.2843 59.3793 28.9890 177.9453 125 E 4.3424 8.1887 118.2775 58.0465 30.7867 177.4950 126 M 4.2233 7.3095 118.7450 54.1523 30.1333 175.4364 *131 I 3.9810 7.4700 114.9657 60.3071 39.1883 175.8498 132 K 4.6178 8.1376 119.7130 54.0302 34.4890 176.7232 133 K 4.0119 8.5987 122.4440 56.7305 32.6269 176.2396 134 V 4.2844 7.9705 121.4668 60.7037 33.1309 175.6691 135 K 4.0672 8.3632 127.8587 56.0972 32.7142 177.2310 136 V 3.6948 8.0304 117.5547 60.8765 30.5353 175.4138 137 D 4.4965 8.3436 125.8026 52.9031 40.9714 177.0125 138 I 3.4589 8.1917 128.0611 63.3362 38.1748 177.1173 139 S 4.3428 8.2425 113.1638 59.4474 63.4192 174.5373 140 K 4.6148 8.2497 120.7414 56.1900 33.7404 175.2431 141 V 4.8587 7.3705 120.8943 61.2018 33.8954 174.6513 142 W 5.3458 9.6324 126.7737 54.8990 32.5107 174.7319 143 R 5.3105 9.2097 121.0907 54.9536 32.2483 175.4921 144 S 4.9219 8.8825 115.0262 57.0614 65.5370 172.7333 145 I 4.4158 8.7087 129.0855 60.5906 37.9182 177.4708 146 L 4.3391 8.5306 127.8857 53.2965 39.9124 177.3824 147 A 4.2388 7.9730 122.2973 53.7321 18.7494 178.3449 148 E 4.5120 8.1220 113.8210 56.3847 30.9006 176.0884 149 K 4.7521 7.6630 117.6590 54.4811 32.4733 174.6062 150 P 4.2084 0.0000 0.0000 62.6817 32.9893 177.6634 151 R 4.4184 8.7837 122.5580 54.8135 31.7858 175.2743 152 V 4.7372 8.3028 124.0303 61.3310 33.9129 174.7761 153 T 4.5441 8.9519 123.9373 61.7319 72.1803 172.9787 154 R 4.9779 8.2693 124.1959 54.3054 32.9509 175.2040 155 F 4.9194 8.8730 121.3701 55.5454 42.1929 174.8280 156 N 4.6272 9.0406 121.2639 53.0165 38.8650 174.3481 157 I 4.5470 8.0468 115.5233 58.8363 40.9513 173.9577 158 Q 4.4616 8.0793 120.6964 54.7491 29.9584 174.9307 159 W 4.8076 8.4619 121.1927 56.3308 30.7456 175.4471 160 D 4.6137 8.2282 123.6940 54.6660 40.2446 176.0491 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 S 8.33 4.34 0.00 3.95 3.81 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 3 I 5.93 3.47 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.36 0.40 0.00 0.00 4 V 7.33 4.79 1.71 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 0.91 0.00 0.00 0.60 0.00 0.00 5 N 9.11 5.21 0.00 2.81 2.73 0.00 0.00 6.68 6.82 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 6 I 8.82 4.37 2.05 0.00 0.00 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 1.57 1.00 1.19 0.00 0.00 7 L 9.13 4.68 0.00 1.56 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.88 4.75 0.00 3.87 3.93 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 9 V 8.57 4.80 2.34 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 1.18 0.00 0.00 1.13 0.00 0.00 10 N 8.92 4.90 0.00 2.63 2.61 0.00 0.00 6.19 7.30 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 11 V 8.10 3.81 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 0.28 0.00 0.00 0.11 0.00 0.00 12 L 8.77 4.11 0.00 1.48 1.67 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.88 4.83 0.00 2.73 2.74 0.00 0.00 5.71 8.04 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 14 N 7.96 4.76 0.00 2.50 2.61 0.00 0.00 7.32 7.69 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 15 P 0.00 4.90 0.00 2.08 2.23 0.00 3.75 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 1.97 2.10 0.00 16 A 9.05 4.84 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 17 K 8.21 3.50 0.00 1.61 1.29 0.00 1.38 0.00 0.00 1.39 0.00 0.00 2.64 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.21 7.81 18 F 8.63 3.79 0.00 2.97 3.14 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 19 S 7.79 4.43 0.00 3.85 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 20 D 7.40 4.44 0.00 2.46 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 21 P 0.00 4.44 0.00 1.90 2.08 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 22 Y 8.82 4.46 0.00 2.86 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 23 K 8.93 4.95 0.00 1.64 1.70 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 24 F 9.02 4.97 0.00 2.69 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 25 E 9.28 4.74 0.00 1.91 1.85 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 2.13 2.17 0.00 26 I 7.98 4.98 0.89 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.82 0.00 0.00 27 T 8.93 5.20 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 1.20 0.00 0.00 28 F 8.94 5.65 0.00 3.42 3.41 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 29 E 9.46 5.15 0.00 2.04 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 0.00 2.41 2.27 0.00 30 C 8.94 5.16 0.00 3.24 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 31 L 8.64 4.43 0.00 1.40 1.61 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.67 4.71 0.00 1.77 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 2.05 2.09 0.00 33 P 0.00 4.39 0.00 2.05 1.99 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 34 L 8.19 4.88 0.00 1.64 1.82 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.02 4.22 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.54 7.81 36 S 8.20 4.81 0.00 3.47 3.61 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 0.00 0.00 0.00 37 D 8.39 4.87 0.00 2.69 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 38 L 8.69 4.69 0.00 1.67 1.31 0.58 0.84 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 39 E 8.73 4.95 0.00 1.93 1.67 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 2.11 2.19 0.00 40 W 9.07 5.08 0.00 3.00 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 41 K 9.68 5.26 0.00 1.74 1.61 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 42 L 9.13 5.19 0.00 1.46 1.27 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.61 5.04 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 1.29 0.00 0.00 44 Y 9.16 4.58 0.00 3.07 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 45 V 8.03 4.61 1.95 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 0.90 0.00 0.00 0.98 0.00 0.00 46 G 8.38 4.20 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 0.00 47 S 8.36 4.51 0.00 4.01 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 48 A 9.08 4.03 1.34 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 0.00 0.00 0.00 49 T 8.02 3.59 4.32 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 1.25 0.00 0.00 50 S 7.79 4.07 0.00 4.05 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 51 Q 7.89 4.47 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 52 S 7.70 4.50 0.00 3.95 3.79 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 0.00 0.00 0.00 0.00 53 Y 7.84 4.81 0.00 3.09 2.94 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 0.00 0.00 0.00 54 D 8.73 4.92 0.00 2.62 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 55 Q 8.89 4.50 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 56 I 8.55 4.23 1.90 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 1.37 0.68 0.96 0.00 0.00 57 L 9.09 4.35 0.00 1.56 1.90 0.76 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.50 4.76 0.00 2.69 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.71 5.26 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 1.25 0.00 0.00 60 L 8.65 4.58 0.00 1.05 0.71 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.58 4.79 0.00 1.54 1.74 0.90 0.90 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 62 V 9.09 4.09 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 0.70 0.00 0.00 -0.14 0.00 0.00 63 G 8.39 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 0.00 0.00 0.00 0.00 64 P 0.00 4.55 0.00 2.21 2.10 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 65 I 8.02 4.41 1.99 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 1.63 0.80 1.19 0.00 0.00 66 P 0.00 4.56 0.00 2.05 1.99 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 67 I 8.11 3.93 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.45 0.91 0.00 0.00 68 G 7.37 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 0.00 0.00 0.00 69 I 7.83 4.63 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.84 0.00 0.00 70 N 8.72 5.00 0.00 1.44 2.12 0.00 0.00 5.97 7.47 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 71 K 8.14 5.19 0.00 1.66 1.59 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.37 7.81 72 F 8.42 4.79 0.00 3.27 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 73 V 8.54 4.50 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 0.83 0.00 0.00 0.90 0.00 0.00 74 F 8.91 5.03 0.00 3.23 2.75 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 0.00 0.00 0.00 75 E 9.26 4.73 0.00 2.11 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 0.00 2.30 2.36 0.00 76 A 8.71 5.06 0.97 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 0.00 0.00 77 D 8.88 4.81 0.00 2.65 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 78 P 0.00 4.52 0.00 1.88 1.92 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 79 P 0.00 4.25 0.00 1.80 1.23 0.00 3.14 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.62 0.00 80 N 9.92 4.54 0.00 2.67 2.80 0.00 0.00 6.67 5.12 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 81 I 8.32 4.02 1.90 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 1.34 1.02 0.90 0.00 0.00 82 D 8.42 4.44 0.00 2.85 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 83 L 7.73 4.28 0.00 1.86 1.78 0.96 0.76 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 84 L 7.33 4.58 0.00 1.63 1.64 0.90 1.17 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 85 P 0.00 4.21 0.00 2.17 2.18 0.00 3.76 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 1.96 1.99 0.00 86 Q 7.81 4.13 0.00 2.46 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 87 L 8.47 3.96 0.00 1.68 1.61 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.92 4.34 0.00 4.03 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 89 D 7.67 4.62 0.00 2.78 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 90 V 7.42 3.97 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 0.50 0.00 0.00 0.76 0.00 0.00 91 L 7.43 4.35 0.00 1.70 1.62 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.35 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 0.00 0.00 0.00 93 V 8.33 4.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 94 T 9.11 4.70 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 1.28 0.00 0.00 95 V 8.25 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 0.81 0.00 0.00 0.93 0.00 0.00 96 I 8.60 4.95 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.22 1.07 0.00 0.00 97 L 8.88 5.04 0.00 1.57 1.52 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.11 5.08 0.00 1.62 1.80 1.09 0.78 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 107 F 8.61 5.48 0.00 3.42 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 0.00 108 V 6.83 5.01 1.95 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 0.29 0.00 0.00 0.95 0.00 0.00 109 R 8.80 4.92 0.00 2.22 1.87 0.00 3.14 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 110 V 9.36 4.55 2.21 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 0.62 0.00 0.00 0.99 0.00 0.00 111 G 9.03 4.32 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 0.00 112 Y 8.75 5.14 0.00 2.91 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 0.00 113 Y 8.52 4.91 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.58 4.93 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 1.17 0.00 0.00 1.03 0.00 0.00 115 N 9.05 5.13 0.00 2.89 2.79 0.00 0.00 6.43 6.24 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 0.00 116 N 8.95 5.78 0.00 2.93 2.83 0.00 0.00 6.02 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.21 4.95 0.00 2.08 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 0.00 2.28 2.30 0.00 118 M 8.57 5.04 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 119 E 8.96 4.05 0.00 1.98 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 2.68 2.65 0.00 120 G 8.57 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 0.00 121 L 8.19 4.23 0.00 1.65 1.63 0.92 1.06 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 0.00 122 N 9.05 4.64 0.00 2.95 2.97 0.00 0.00 6.40 6.41 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 0.00 123 L 8.67 3.90 0.00 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1.69 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 136 V 8.03 3.69 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 0.70 0.00 0.00 0.87 0.00 0.00 137 D 8.34 4.50 0.00 2.65 2.54 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 0.00 138 I 8.19 3.46 1.67 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.83 0.00 0.00 139 S 8.24 4.34 0.00 3.96 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 0.00 140 K 8.25 4.61 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.34 7.81 141 V 7.37 4.86 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 1.14 0.00 0.00 0.90 0.00 0.00 142 W 9.63 5.35 0.00 3.25 3.08 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 0.00 143 R 9.21 5.31 0.00 1.98 2.33 0.00 2.87 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 144 S 8.88 4.92 0.00 3.94 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 0.00 145 I 8.71 4.42 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.65 0.00 0.00 146 L 8.53 4.34 0.00 1.91 1.72 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.97 4.24 1.15 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 0.00 148 E 8.12 4.51 0.00 2.02 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 2.28 2.28 0.00 149 K 7.66 4.75 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.55 7.81 150 P 0.00 4.21 0.00 1.82 1.67 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 151 R 8.78 4.42 0.00 1.72 1.78 0.00 3.10 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 152 V 8.30 4.74 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 0.79 0.00 0.00 0.90 0.00 0.00 153 T 8.95 4.54 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 0.66 0.00 0.00 154 R 8.27 4.98 0.00 1.56 1.81 0.00 3.16 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 155 F 8.87 4.92 0.00 3.09 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 0.00 156 N 9.04 4.63 0.00 2.76 2.82 0.00 0.00 6.80 7.45 0.00 0.00 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 I 8.05 4.55 1.55 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.25 0.94 0.00 0.00 158 Q 8.08 4.46 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 159 W 8.46 4.81 0.00 3.17 2.96 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 0.00 0.00 0.00 160 D 8.23 4.61 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.