NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2480 8.1693 120.6299 53.6059 43.3643 176.4401 8 P 4.2260 0.0000 0.0000 61.5702 31.5690 173.0482 9 P 4.3581 0.0000 0.0000 64.8001 32.4306 178.2033 10 G 3.6086 9.1377 111.6570 44.4180 0.0000 172.4082 11 W 4.8710 7.4393 119.1626 55.8353 30.4277 175.8397 12 E 4.7601 8.8593 122.3601 54.3902 33.8463 174.9279 13 K 4.3204 8.6355 121.7454 56.5239 33.1472 176.0053 14 A 4.7095 8.3401 124.6220 50.6248 23.4514 173.9582 15 M 4.9427 8.3307 118.3637 53.6883 34.3589 175.4931 16 S 4.5202 9.6836 122.0403 58.4215 63.5175 174.3691 17 R 4.3877 8.7892 122.7047 56.4539 29.8459 176.7654 18 S 4.5804 8.1946 114.9713 60.4226 64.0778 175.2255 19 S 4.4316 7.9429 114.3157 57.9534 63.7478 175.4901 20 G 3.9673 8.2171 106.4631 45.9484 0.0000 173.3023 21 R 4.3383 7.6748 119.9862 55.4074 31.5405 175.8318 22 V 4.4134 8.5195 125.6912 63.4095 32.5799 174.3002 23 Y 5.0788 8.6523 124.3569 55.8250 42.3232 172.9294 24 Y 5.3100 9.4117 116.3738 56.2750 41.2413 175.3742 25 F 5.6686 9.0330 117.3562 55.1372 42.3525 172.9489 26 N 4.8220 9.1195 119.0425 51.9423 40.5113 174.5856 27 H 4.6192 8.7996 121.9945 57.3574 29.0381 176.7164 28 I 4.0132 8.0021 120.4368 63.3809 37.5969 176.7883 29 T 4.1945 7.7165 108.0376 60.7537 69.8400 175.1297 30 N 4.4506 8.2860 118.6030 53.9660 36.9867 173.6891 31 A 4.6491 7.5198 120.5573 52.1276 19.7661 177.5479 32 S 5.5782 8.3754 113.2693 57.4158 66.2970 173.0119 33 Q 4.4603 8.9764 118.1616 55.8360 31.5875 175.1925 34 W 4.6357 8.9421 120.1385 59.6452 29.6464 177.6626 35 E 4.2433 8.1756 116.2028 55.6763 29.5705 176.6704 36 R 2.5100 8.1946 122.6877 54.8969 30.6072 174.7362 37 P 3.6268 0.0000 0.0000 64.2704 32.6961 177.7835 38 S 3.2112 7.2559 111.3110 58.1862 66.2638 175.0864 *51 E 4.0735 8.7232 128.1953 54.9599 27.5984 172.8010 52 P 4.5434 0.0000 0.0000 61.9243 32.7802 177.4807 53 A 4.3950 8.6113 122.7756 55.0790 18.6549 177.7108 54 R 5.1432 7.4299 111.4394 54.9539 34.4433 175.3482 55 V 4.3556 8.2293 115.0139 59.3469 36.4766 174.2230 56 R 4.8900 8.1531 121.8558 53.9390 32.6784 174.3670 57 C 5.3171 8.6732 121.9732 58.3580 33.0903 173.3047 58 S 5.4568 8.5641 117.7463 57.8309 65.4603 172.3175 59 H 5.4948 8.9716 114.6795 55.2210 32.2674 172.6106 60 L 4.8493 8.9635 121.0740 53.3353 44.8161 174.6154 61 L 4.9015 8.5616 129.0667 53.4478 44.3805 175.0679 62 V 4.6378 8.9685 126.2322 61.1188 33.6537 175.3063 63 K 4.7468 8.7622 128.0403 56.0858 33.7516 175.3460 64 H 5.0062 8.7653 116.8426 53.8604 31.6736 174.4216 65 S 4.3980 8.8737 114.1335 60.7652 62.5809 175.1133 66 Q 4.5571 8.1327 118.4344 55.5800 28.8297 175.6399 67 S 4.3076 8.3314 115.7757 58.5445 63.3642 174.4152 68 R 3.8321 8.7180 126.7682 58.9922 29.8804 176.7121 69 R 4.4539 7.5811 122.9527 53.5872 30.7334 174.6653 70 P 4.6285 0.0000 0.0000 61.5528 30.7945 176.2601 71 S 4.8845 7.6265 111.1168 58.3245 65.7163 172.3689 72 S 4.6582 8.8465 120.4641 56.3307 65.9828 174.7115 73 W 4.4460 8.8744 117.3538 59.5957 27.5031 177.6003 74 R 3.4759 6.9536 117.1738 57.9957 29.9020 176.8376 75 Q 4.3227 7.8656 118.9493 54.7551 32.0725 174.1322 76 E 3.7845 9.1299 127.1245 58.3963 29.8242 176.4506 77 K 4.4903 7.8058 119.7227 54.4335 33.4448 174.8848 78 I 4.3447 8.8570 129.2886 60.6544 37.5894 175.9561 79 T 4.5307 8.3030 114.2513 60.8757 70.7068 174.5429 80 R 4.1314 7.9753 119.2029 56.9856 29.7488 176.0369 81 T 4.4625 8.6651 110.7320 60.9358 71.2617 175.5953 82 K 3.6164 8.6000 122.8262 60.0416 31.9899 178.5156 83 E 3.9476 8.0565 118.6862 59.2680 29.7084 178.3958 84 E 4.0650 8.3514 118.4870 59.2757 29.4376 178.9549 85 A 3.9476 8.2498 121.1418 55.2727 18.3598 179.4469 86 L 3.8397 7.9523 118.5423 58.2057 42.0779 178.6375 87 E 3.8592 8.1125 118.5166 59.6106 29.4202 179.2916 88 L 3.4401 7.7178 118.3464 57.8042 41.6251 179.5069 89 I 3.6619 7.7290 119.7692 64.7822 37.1123 178.2299 90 N 4.4294 8.4736 117.4773 56.0245 38.2267 177.6884 91 G 3.5172 8.0681 107.3610 48.0685 0.0000 175.3283 92 Y 4.3918 7.6179 119.6853 60.8189 37.8019 178.6753 93 I 3.7952 8.2341 121.1067 64.5182 37.1222 178.4152 94 Q 4.0271 8.2039 118.6626 59.1319 28.6964 179.2043 95 K 4.0410 8.3721 119.5463 59.4011 32.0223 179.6489 96 I 4.2694 8.0288 121.5948 64.0705 36.9129 178.7559 97 K 4.1300 8.2802 118.4507 59.2776 32.0000 178.5304 98 S 4.2204 8.3926 112.3168 58.8944 63.0818 175.4480 99 G 3.9856 8.0608 109.1341 45.7280 0.0000 174.3793 100 E 4.1050 8.0607 120.1873 58.3247 29.9844 176.4506 101 E 4.8188 8.2497 116.6663 53.8032 33.7884 174.3986 102 D 5.0785 8.2120 120.3444 51.8291 42.8245 177.1349 103 F 3.8125 8.7971 121.9698 61.8360 39.2578 177.2494 104 E 4.1563 8.3662 117.4120 59.4567 29.2901 179.2057 105 S 4.0281 8.3107 113.2804 61.2448 62.4755 176.2393 106 L 3.8394 7.7038 121.1844 57.4371 41.3295 179.2432 107 A 3.7731 7.9458 121.1418 55.1817 18.0780 179.7705 108 S 4.2257 7.7917 112.3521 61.9954 62.9888 176.8202 109 Q 3.9282 7.5666 119.2404 58.0751 28.4531 177.1353 110 F 5.0030 7.9776 115.7185 57.2923 41.1030 175.9415 111 S 4.4247 8.0138 116.0752 58.4462 62.5119 173.2751 112 D 4.4569 9.0299 127.0587 54.5042 40.8098 175.6233 113 C 4.8683 7.7674 120.3397 57.7324 33.6235 174.3524 114 S 4.3957 8.6462 119.5680 59.6759 62.9984 175.9788 115 S 4.2340 8.1840 118.0747 60.3671 62.6183 175.4133 116 A 3.9779 8.2507 125.5628 55.6943 17.7830 179.5780 117 K 3.8830 7.8430 115.2407 57.9347 32.4060 177.5443 118 A 4.6375 7.6513 122.3513 51.9183 19.5828 177.0260 119 R 3.9289 8.7864 115.4867 58.7238 28.3547 178.1859 120 G 4.2207 8.5067 106.4466 46.3835 0.0000 173.7960 121 D 4.9146 7.8669 119.4412 53.9125 41.5373 175.7568 122 L 4.5188 8.6969 124.9437 53.7106 42.9440 177.7829 123 G 3.8598 8.4511 109.1262 44.4793 0.0000 172.1678 124 A 4.7794 8.2954 119.8787 51.1417 20.1426 176.8920 125 F 5.1585 8.5441 115.4010 55.6939 42.3114 173.0190 126 S 5.8849 8.8537 113.8057 55.4116 65.8023 173.9909 127 R 4.0736 8.2115 118.3566 57.2954 30.1965 176.8486 128 G 4.1228 8.6128 108.6851 45.7810 0.0000 174.8917 129 Q 4.3656 8.2273 117.0324 56.8455 30.2813 175.6333 130 M 4.4290 7.5768 115.1398 53.0560 34.4212 176.0009 131 Q 4.0185 8.3403 118.5522 56.4652 30.5164 178.1292 132 K 3.9055 8.7878 124.7352 59.5115 32.2598 177.2829 133 P 4.3636 0.0000 0.0000 65.4338 31.2159 178.4365 134 F 3.9277 8.1885 119.0124 61.1496 39.4593 176.5054 135 E 4.3090 8.7326 119.3684 59.6892 29.5583 178.6002 136 D 4.4150 8.8176 118.8433 57.2747 40.8701 178.4019 137 A 3.9529 7.9477 121.2808 55.5871 18.1346 179.9796 138 S 3.9805 7.9020 112.1657 61.5681 63.0055 176.4820 139 F 4.1239 8.8272 118.9093 58.9846 38.8947 176.7493 140 A 4.4271 7.5470 118.5808 51.9359 19.4721 177.5574 141 L 4.1816 6.9094 116.9158 54.5717 42.4991 177.1234 142 R 4.3618 8.9443 120.7630 55.1985 31.2012 176.5536 143 T 3.8932 8.2527 117.1439 65.7288 68.7146 174.7541 144 G 3.9223 9.3985 115.3798 44.7431 0.0000 172.7416 145 E 4.5947 8.2501 121.4546 55.0000 31.5800 174.3088 146 M 5.1440 8.5320 125.2879 53.8823 34.6669 175.4030 147 S 4.5126 8.9127 120.6550 57.4824 65.2433 173.5682 148 G 4.2727 8.1681 108.3055 43.3787 0.0000 171.1421 149 P 4.4515 0.0000 0.0000 62.7323 32.0496 176.3206 150 V 4.4862 8.7229 124.3554 61.1534 34.1913 174.0476 151 F 5.3359 9.2379 126.6999 56.4351 40.8323 175.1396 152 T 4.8501 8.9141 111.8153 60.0781 72.1835 174.4069 153 D 4.5758 8.7789 120.3605 56.7952 40.8740 179.1751 154 S 4.4114 8.5745 115.2267 58.7810 64.1673 175.3829 155 G 3.7768 6.4514 108.0219 45.6963 0.0000 171.1965 156 I 4.6455 8.0259 124.4806 59.8669 39.6406 174.7240 157 H 5.4390 9.2849 124.8491 54.2510 31.7103 173.7666 158 I 4.7407 8.8226 123.0351 59.8681 39.4100 174.5701 159 I 4.9338 9.1654 128.2988 59.4071 39.8922 174.2481 160 L 4.7632 8.2213 128.6581 53.0594 44.3728 175.2233 161 R 4.5726 8.7354 128.3142 56.0445 29.9358 176.6921 162 T 4.3328 8.6429 118.3836 63.6254 70.1582 174.9513 163 E 4.1510 7.7208 126.4970 56.7072 30.6312 174.6144 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 7 L 8.17 4.25 0.00 1.73 1.75 1.06 0.62 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 8 P 0.00 4.23 0.00 2.49 2.25 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 9 P 0.00 4.36 0.00 2.07 2.08 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 10 G 9.14 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 0.00 0.00 0.00 11 W 7.44 4.87 0.00 3.34 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 12 E 8.86 4.76 0.00 1.16 1.53 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 2.02 2.23 0.00 13 K 8.64 4.32 0.00 1.59 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.10 1.25 7.81 14 A 8.34 4.71 0.79 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 0.00 0.00 15 M 8.33 4.94 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 16 S 9.68 4.52 0.00 4.52 4.19 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 17 R 8.79 4.39 0.00 1.99 2.05 0.00 3.07 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 18 S 8.19 4.58 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.94 4.43 0.00 3.95 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 20 G 8.22 3.97 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 0.00 21 R 7.67 4.34 0.00 1.87 1.92 0.00 2.87 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 22 V 8.52 4.41 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 0.63 0.00 0.00 0.92 0.00 0.00 23 Y 8.65 5.08 0.00 3.19 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 24 Y 9.41 5.31 0.00 3.01 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 25 F 9.03 5.67 0.00 3.17 3.35 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 26 N 9.12 4.82 0.00 1.44 1.90 0.00 0.00 7.22 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 27 H 8.80 4.62 0.00 3.25 3.62 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.00 4.01 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.32 0.91 0.00 0.00 29 T 7.72 4.19 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 1.11 0.00 0.00 30 N 8.29 4.45 0.00 3.10 3.00 0.00 0.00 6.75 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 31 A 7.52 4.65 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 32 S 8.38 5.58 0.00 3.95 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 33 Q 8.98 4.46 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 34 W 8.94 4.64 0.00 3.40 3.34 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 35 E 8.18 4.24 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 36 R 8.19 2.51 0.00 1.31 1.56 0.00 3.11 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 0.00 37 P 0.00 3.63 0.00 1.33 0.49 0.00 2.31 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 0.00 38 S 7.26 3.21 0.00 3.99 3.37 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 *51 E 8.72 4.07 0.00 2.00 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 2.20 2.44 0.00 52 P 0.00 4.54 0.00 2.46 2.15 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 53 A 8.61 4.39 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 54 R 7.43 5.14 0.00 1.63 1.72 0.00 3.13 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 55 V 8.23 4.36 1.53 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 -0.05 0.00 0.00 -0.52 0.00 0.00 56 R 8.15 4.89 0.00 1.74 1.71 0.00 3.19 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 57 C 8.67 5.32 0.00 3.28 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 58 S 8.56 5.46 0.00 3.67 4.05 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 0.00 0.00 0.00 59 H 8.97 5.49 0.00 3.73 3.73 0.00 5.22 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 L 8.96 4.85 0.00 1.36 1.51 0.50 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.56 4.90 0.00 1.67 1.42 0.68 0.61 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 62 V 8.97 4.64 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 0.99 0.00 0.00 1.07 0.00 0.00 63 K 8.76 4.75 0.00 1.64 1.64 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.32 7.81 64 H 8.77 5.01 0.00 3.42 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.87 4.40 0.00 4.00 4.06 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 66 Q 8.13 4.56 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 67 S 8.33 4.31 0.00 3.85 3.76 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 68 R 8.72 3.83 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 69 R 7.58 4.45 0.00 1.76 1.80 0.00 3.29 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 70 P 0.00 4.63 0.00 2.25 2.23 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.63 4.88 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.85 4.66 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.87 4.45 0.00 3.54 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 6.95 3.48 0.00 1.31 1.52 0.00 2.83 0.00 0.00 2.79 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.87 4.32 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 76 E 9.13 3.78 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 77 K 7.81 4.49 0.00 1.70 1.66 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.86 4.34 1.86 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 1.38 0.61 0.88 0.00 0.00 79 T 8.30 4.53 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 1.25 0.00 0.00 80 R 7.98 4.13 0.00 2.08 2.11 0.00 3.16 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 81 T 8.67 4.46 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 1.23 0.00 0.00 82 K 8.60 3.62 0.00 1.60 1.81 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.46 7.81 83 E 8.06 3.95 0.00 2.06 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 2.36 2.39 0.00 84 E 8.35 4.07 0.00 2.25 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 2.29 2.30 0.00 85 A 8.25 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.84 0.00 1.89 1.90 0.99 1.06 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 87 E 8.11 3.86 0.00 2.16 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 2.29 2.42 0.00 88 L 7.72 3.44 0.00 1.60 1.16 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.73 3.66 2.01 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 1.58 0.88 0.87 0.00 0.00 90 N 8.47 4.43 0.00 2.78 2.82 0.00 0.00 6.97 7.14 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 91 G 8.07 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 0.00 0.00 0.00 92 Y 7.62 4.39 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.23 3.80 2.03 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 1.62 0.96 0.97 0.00 0.00 94 Q 8.20 4.03 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 95 K 8.37 4.04 0.00 1.90 1.94 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.54 7.81 96 I 8.03 4.27 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 1.06 0.00 0.00 97 K 8.28 4.13 0.00 1.87 1.94 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.56 7.81 98 S 8.39 4.22 0.00 4.00 4.12 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 99 G 8.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.06 4.10 0.00 2.01 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 2.37 2.32 0.00 101 E 8.25 4.82 0.00 2.07 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 0.00 2.28 2.44 0.00 102 D 8.21 5.08 0.00 2.98 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 0.00 103 F 8.80 3.81 0.00 3.30 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 0.00 104 E 8.37 4.16 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 105 S 8.31 4.03 0.00 3.88 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 0.00 106 L 7.70 3.84 0.00 1.59 1.27 0.94 0.77 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 0.00 107 A 7.95 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.79 4.23 0.00 3.88 3.84 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 0.00 109 Q 7.57 3.93 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 110 F 7.98 5.00 0.00 2.59 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 0.00 111 S 8.01 4.42 0.00 3.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.03 4.46 0.00 2.73 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 0.00 113 C 7.77 4.87 0.00 2.98 2.80 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 0.00 114 S 8.65 4.40 0.00 4.02 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 0.00 115 S 8.18 4.23 0.00 4.14 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 0.00 116 A 8.25 3.98 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 0.00 117 K 7.84 3.88 0.00 1.68 1.72 0.00 0.86 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.13 1.17 7.81 118 A 7.65 4.64 1.26 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 0.00 0.00 119 R 8.79 3.93 0.00 2.05 2.11 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 120 G 8.51 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 0.00 0.00 0.00 0.00 121 D 7.87 4.91 0.00 2.69 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 0.00 122 L 8.70 4.52 0.00 1.95 1.71 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.45 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 0.00 0.00 0.00 124 A 8.30 4.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.54 5.16 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.85 5.88 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.21 4.07 0.00 1.58 1.72 0.00 2.90 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 128 G 8.61 4.12 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 0.00 0.00 0.00 129 Q 8.23 4.37 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 130 M 7.58 4.43 0.00 1.80 1.99 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 131 Q 8.34 4.02 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 132 K 8.79 3.91 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.75 7.81 133 P 0.00 4.36 0.00 2.38 2.18 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.19 3.93 0.00 3.05 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 0.00 135 E 8.73 4.31 0.00 2.23 2.22 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 2.46 2.68 0.00 136 D 8.82 4.42 0.00 2.76 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 0.00 137 A 7.95 3.95 1.28 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 0.00 0.00 138 S 7.90 3.98 0.00 4.19 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 0.00 139 F 8.83 4.12 0.00 2.94 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 0.00 140 A 7.55 4.43 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 0.00 141 L 6.91 4.18 0.00 1.68 1.57 0.89 1.29 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 0.00 142 R 8.94 4.36 0.00 1.98 1.83 0.00 3.12 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 143 T 8.25 3.89 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 1.20 0.00 0.00 144 G 9.40 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.25 4.59 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 146 M 8.53 5.14 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 147 S 8.91 4.51 0.00 4.06 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 0.00 148 G 8.17 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 0.00 0.00 0.00 0.00 149 P 0.00 4.45 0.00 1.89 1.80 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 150 V 8.72 4.49 2.11 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 1.04 0.00 0.00 0.95 0.00 0.00 151 F 9.24 5.34 0.00 3.00 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 0.00 152 T 8.91 4.85 4.56 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 1.35 0.00 0.00 153 D 8.78 4.58 0.00 2.87 2.79 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 0.00 154 S 8.57 4.41 0.00 3.91 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 0.00 155 G 6.45 3.78 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 0.00 0.00 0.00 156 I 8.03 4.65 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.87 0.38 0.00 0.00 157 H 9.28 5.44 0.00 3.13 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.82 4.74 2.11 0.00 0.00 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 1.33 0.85 1.21 0.00 0.00 159 I 9.17 4.93 1.69 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.62 0.69 0.00 0.00 160 L 8.22 4.76 0.00 0.76 0.70 0.83 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.74 4.57 0.00 1.79 1.87 0.00 2.91 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 162 T 8.64 4.33 4.19 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 1.12 0.00 0.00 163 E 7.72 4.15 0.00 1.90 1.72 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.