NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2609 8.4401 118.7975 56.2663 30.4383 173.5828 3 A 4.4427 8.2597 120.6344 50.1831 22.7718 169.8983 4 V 4.4772 9.0374 120.3539 62.0583 34.1750 172.8216 5 T 5.1911 9.6613 125.6182 61.9790 71.0461 173.5226 6 I 4.7762 8.6984 127.4329 59.4042 39.8288 174.4133 7 L 4.7360 8.6930 129.8921 54.1971 43.5233 174.8947 8 L 5.2837 9.0663 128.4585 53.1796 45.1197 174.7539 9 A 5.6103 9.0573 127.4315 49.3798 21.8492 174.2253 10 D 5.3094 8.9494 121.0468 54.1318 44.7084 175.3442 11 D 4.9351 9.1635 123.4797 53.1493 40.3493 176.1517 12 E 4.5043 8.6954 121.7059 54.7687 31.0182 176.2550 13 A 3.9714 8.5430 126.7795 55.2599 18.4952 178.9560 14 I 3.5203 7.6451 116.5432 64.1217 38.0336 178.0416 15 L 3.3892 7.5697 119.2935 57.2921 41.5252 178.6585 16 L 3.9859 8.0215 120.6717 58.3919 41.9338 179.1451 17 L 3.9464 7.9876 118.7445 57.6483 41.5114 179.0146 18 D 4.2169 7.6364 117.5478 57.4916 41.2146 178.3607 19 F 4.5854 8.0153 118.7060 60.4762 38.7937 177.2337 20 E 3.9973 8.5813 119.2315 59.6568 29.4946 179.2077 21 S 4.2492 8.2023 116.4332 61.2007 62.3013 176.7342 22 T 3.9493 8.0195 118.5683 66.8596 68.2941 176.6316 23 L 4.3231 8.1565 121.0263 57.8611 41.3916 179.6144 24 T 4.6021 8.3218 111.6000 64.4875 68.5484 176.4622 25 D 4.3752 8.2081 120.7017 56.8245 40.9314 177.8012 26 A 4.3126 7.4585 117.9581 52.1273 18.8943 177.8788 27 G 3.8539 7.7413 104.8241 44.7323 0.0000 174.3601 28 F 4.7058 8.0125 119.1179 57.0233 40.5448 175.0471 29 L 4.6708 8.7954 121.9487 54.3650 43.2352 175.9903 30 V 4.7978 8.2986 121.4116 61.5498 34.3640 174.9703 31 T 4.4433 8.8880 124.9469 62.2972 69.4397 173.3631 32 A 5.0159 8.4627 129.0629 50.6623 20.2888 176.4124 33 V 4.5493 9.0891 115.9032 60.0172 35.2891 176.8922 34 S 4.9842 8.9151 116.3422 58.0350 63.9152 173.9904 35 S 4.1692 7.3501 115.0616 55.4194 67.1208 174.9235 36 G 2.9898 6.4342 108.8631 47.4610 0.0000 175.8980 37 A 3.9076 7.5130 122.5492 54.9275 18.2646 179.5161 38 K 3.8538 7.6838 116.7683 59.3548 32.2983 178.5257 39 A 4.0940 7.5412 120.3067 55.3251 18.5767 179.4184 40 I 3.8626 7.8554 118.3222 64.1649 36.7210 178.6376 41 E 4.0766 7.9866 116.6211 57.1885 28.8071 178.2332 *43 L 4.2686 7.8658 119.2647 54.3208 43.5370 179.0503 44 K 3.8750 8.1053 116.2528 58.1636 32.2363 178.3277 45 S 4.1394 7.5622 112.6702 59.5152 63.0806 175.4273 46 G 3.8694 7.6820 108.8079 44.9522 0.0000 173.5632 47 A 3.9007 7.2833 122.0527 51.9388 18.7850 177.9391 48 A 4.2180 8.4595 124.8152 51.8109 18.0440 177.0578 49 I 4.5479 8.1653 122.5856 60.5197 39.8082 175.6036 50 D 4.8190 8.8883 124.7064 54.6469 42.2156 176.5613 51 G 4.0837 7.4602 103.4644 45.2924 0.0000 172.4488 52 V 4.8334 8.4549 121.0846 60.6976 34.8887 174.3754 53 V 4.6428 8.8618 128.0349 61.3838 33.8380 174.0280 54 T 5.1269 8.6401 122.6081 59.9992 70.9847 173.0028 55 D 4.9310 8.9839 128.1738 54.5920 41.8821 177.7390 56 I 3.3339 8.0785 121.2560 63.6088 38.2922 176.1284 57 R 4.5519 7.3946 119.1401 54.2864 31.5809 175.5574 58 F 5.0548 8.2708 120.1474 55.4514 42.2056 175.5792 59 C 4.3010 8.6973 119.4204 62.8804 27.9510 174.7504 60 Q 4.5119 7.7458 116.4585 53.9255 29.8401 173.6554 61 P 4.5208 0.0000 0.0000 61.9417 32.1235 174.2142 62 P 4.5872 0.0000 0.0000 62.1014 32.6030 175.9054 63 D 5.0699 8.4321 119.7572 52.5565 42.2275 177.2756 64 G 4.2708 9.0133 107.2178 46.7897 0.0000 176.0308 65 W 4.7105 7.8982 121.1900 59.9683 29.1347 178.0909 66 Q 4.0765 8.8065 119.6412 58.9789 28.5083 177.9164 67 V 3.6039 7.8599 119.0944 66.3710 31.5205 177.8238 68 A 4.0474 8.3521 120.0695 55.3620 18.2177 179.8765 69 R 3.9650 7.9755 116.4816 59.2519 30.2508 179.4282 70 V 3.7393 8.0093 117.8550 66.0305 31.4966 177.7529 71 A 4.0177 8.1427 120.5331 55.4910 18.1614 179.7082 72 R 4.7262 8.0919 117.2369 58.2497 30.0043 178.9913 73 E 4.1067 8.1111 118.1578 59.2921 29.4616 179.0312 74 I 4.2068 7.4854 118.6748 62.6960 37.6719 175.8086 75 D 4.5499 8.3952 121.1085 51.6438 42.6312 173.8004 76 P 4.4705 0.0000 0.0000 64.0541 31.4367 175.9736 77 N 4.7555 8.1117 117.0359 50.8307 40.1978 172.3545 *79 P 4.2434 0.0000 0.0000 62.3837 33.5296 175.4552 80 I 4.7755 8.1512 123.7732 59.3957 40.9384 174.2617 81 V 4.6321 8.5248 127.2347 61.2221 34.0936 173.8548 82 Y 5.0136 9.0941 125.8507 56.7785 40.2569 174.5178 83 I 4.9313 8.6312 124.0251 59.5739 40.0081 174.9261 84 S 4.7194 9.3065 120.7320 56.9552 66.2670 174.8230 85 G 4.1161 8.9134 107.8795 45.4961 0.0000 172.5133 86 H 4.3790 7.7851 115.1239 54.9250 30.3231 174.1802 87 A 4.5195 8.0536 132.3910 51.2545 19.8241 177.3883 88 A 4.5145 8.4148 124.3479 54.0116 19.2929 177.8827 89 L 4.2803 7.8525 117.7332 56.7234 42.3757 178.1806 90 E 4.0103 8.2964 118.0275 59.3996 29.3418 178.3428 91 W 3.7387 8.1776 128.6259 60.4947 30.4518 177.6559 92 A 3.6666 7.6521 118.3180 54.3187 17.7979 178.6895 93 S 4.3599 7.5798 109.5412 58.3919 64.5397 174.4491 94 N 4.2954 7.0992 117.9808 53.0771 40.4756 175.4355 95 G 3.5260 6.8765 106.5839 45.2284 0.0000 173.6443 96 V 4.0600 8.7032 114.0751 59.4347 32.6945 174.5523 97 P 4.3146 0.0000 0.0000 64.1703 31.6177 176.3517 98 D 4.5825 8.8504 119.9219 55.1342 38.1747 173.9942 99 S 4.9128 7.7783 112.9419 57.7168 65.1463 173.2850 100 I 4.5316 8.4613 120.4171 59.3782 40.3622 174.5514 101 I 4.7778 7.7073 125.6155 59.1115 40.2623 174.2176 102 L 4.3771 8.9717 130.1359 52.9728 43.5164 174.8347 103 E 4.9611 8.5325 125.1891 54.3451 30.9235 175.6906 104 K 4.4470 9.1311 127.8188 55.8983 32.7915 175.2667 105 P 4.4586 0.0000 0.0000 62.2847 32.3706 175.3938 106 F 5.1325 7.5996 114.4862 54.6984 41.1414 174.5316 107 T 4.5099 8.6601 112.6778 60.5218 71.7488 175.9912 108 S 4.2511 8.6201 117.0061 61.8695 62.7522 176.8716 109 A 4.0507 8.0414 122.8397 55.2485 18.1916 179.4919 110 Q 3.9359 8.0449 116.0639 58.9536 28.8223 178.8773 111 L 3.7528 7.8172 120.9383 58.1514 42.1376 178.9729 112 I 3.7665 7.8803 119.7073 64.8459 37.0011 178.5183 113 T 3.8565 8.3596 116.6461 66.5138 68.3713 176.5914 114 A 3.8877 7.9639 122.5867 55.0910 18.4240 179.9120 115 V 3.3902 7.6718 116.6930 66.2002 31.6040 178.4346 116 S 4.2830 8.2773 115.2552 61.7169 62.6383 176.7622 117 Q 4.0421 8.4273 120.6935 59.2059 28.0943 178.5903 118 L 4.0014 7.6215 119.7662 57.5097 41.8124 178.9759 119 L 4.1567 8.0856 119.0086 58.0226 41.3672 179.4272 120 N 4.3838 8.4677 116.0719 55.9168 38.2561 176.8543 121 A 4.1961 7.6574 120.2493 53.8954 18.6000 179.3087 122 R 3.9158 7.6589 116.5017 57.0228 30.1831 176.4799 123 E 4.1317 7.7637 122.0623 56.8607 30.2634 174.1257 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 E 8.44 4.26 0.00 2.10 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 2.18 2.32 0.00 3 A 8.26 4.44 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 9.04 4.48 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 1.26 0.00 0.00 0.97 0.00 0.00 5 T 9.66 5.19 4.42 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 1.23 0.00 0.00 6 I 8.70 4.78 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.33 0.80 0.00 0.00 7 L 8.69 4.74 0.00 1.75 1.51 0.95 0.24 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 8 L 9.07 5.28 0.00 1.77 1.50 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.06 5.61 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 10 D 8.95 5.31 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.16 4.94 0.00 2.95 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 12 E 8.70 4.50 0.00 2.11 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 2.23 2.29 0.00 13 A 8.54 3.97 1.30 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 0.00 0.00 14 I 7.65 3.52 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.82 0.00 0.00 15 L 7.57 3.39 0.00 1.68 1.08 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.02 3.99 0.00 1.86 1.82 1.08 0.65 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 17 L 7.99 3.95 0.00 1.80 1.66 0.92 0.83 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 18 D 7.64 4.22 0.00 2.67 2.33 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 0.00 19 F 8.02 4.59 0.00 3.11 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 20 E 8.58 4.00 0.00 2.23 2.16 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 2.35 2.41 0.00 21 S 8.20 4.25 0.00 3.93 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 22 T 8.02 3.95 4.59 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 1.32 0.00 0.00 23 L 8.16 4.32 0.00 1.93 1.83 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.32 4.60 4.29 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 1.30 0.00 0.00 25 D 8.21 4.38 0.00 2.94 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 26 A 7.46 4.31 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.74 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 0.00 0.00 0.00 28 F 8.01 4.71 0.00 3.21 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 29 L 8.80 4.67 0.00 1.68 1.62 0.94 0.64 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 30 V 8.30 4.80 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 0.86 0.00 0.00 1.00 0.00 0.00 31 T 8.89 4.44 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 32 A 8.46 5.02 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 33 V 9.09 4.55 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 0.89 0.00 0.00 0.93 0.00 0.00 34 S 8.92 4.98 0.00 3.87 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 35 S 7.35 4.17 0.00 3.73 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 36 G 6.43 2.99 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 37 A 7.51 3.91 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 38 K 7.68 3.85 0.00 1.69 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 39 A 7.54 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.86 3.86 1.96 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 1.41 0.67 0.90 0.00 0.00 41 E 7.99 4.08 0.00 2.12 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 0.00 2.29 2.34 0.00 *43 L 7.87 4.27 0.00 1.93 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.11 3.88 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 45 S 7.56 4.14 0.00 3.98 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 46 G 7.68 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.28 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.46 4.22 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 49 I 8.17 4.55 1.87 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 1.41 0.72 0.94 0.00 0.00 50 D 8.89 4.82 0.00 2.67 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 51 G 7.46 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 52 V 8.45 4.83 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 0.97 0.00 0.00 0.89 0.00 0.00 53 V 8.86 4.64 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 0.76 0.00 0.00 0.75 0.00 0.00 54 T 8.64 5.13 4.29 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 1.23 0.00 0.00 55 D 8.98 4.93 0.00 1.93 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 0.00 0.00 0.00 56 I 8.08 3.33 1.51 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 -0.30 0.17 0.33 0.00 0.00 57 R 7.39 4.55 0.00 1.62 1.75 0.00 3.11 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 58 F 8.27 5.05 0.00 3.20 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 59 C 8.70 4.30 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.75 4.51 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 61 P 0.00 4.52 0.00 2.23 2.14 0.00 3.78 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 2.00 1.98 0.00 62 P 0.00 4.59 0.00 2.26 2.13 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 63 D 8.43 5.07 0.00 3.22 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 64 G 9.01 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 65 W 7.90 4.71 0.00 3.57 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 66 Q 8.81 4.08 0.00 2.31 2.37 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 2.42 2.46 0.00 67 V 7.86 3.60 2.36 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 0.98 0.00 0.00 1.01 0.00 0.00 68 A 8.35 4.05 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.98 3.96 0.00 2.06 2.04 0.00 3.32 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 70 V 8.01 3.74 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 1.02 0.00 0.00 1.00 0.00 0.00 71 A 8.14 4.02 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 72 R 8.09 4.73 0.00 1.95 2.01 0.00 3.41 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 73 E 8.11 4.11 0.00 2.16 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 2.36 2.48 0.00 74 I 7.49 4.21 2.01 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 1.41 0.47 0.91 0.00 0.00 75 D 8.40 4.55 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.47 0.00 2.22 2.18 0.00 3.40 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 77 N 8.11 4.76 0.00 2.74 2.78 0.00 0.00 6.96 7.74 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 *79 P 0.00 4.24 0.00 2.03 1.97 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 80 I 8.15 4.78 1.77 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 1.18 0.95 0.28 0.00 0.00 81 V 8.52 4.63 1.86 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 0.79 0.00 0.00 0.77 0.00 0.00 82 Y 9.09 5.01 0.00 2.81 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 83 I 8.63 4.93 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.95 1.15 0.00 0.00 84 S 9.31 4.72 0.00 3.81 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 85 G 8.91 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 86 H 7.79 4.38 0.00 3.11 3.19 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.05 4.52 1.33 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 0.00 0.00 0.00 88 A 8.41 4.51 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 89 L 7.85 4.28 0.00 1.82 1.70 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.30 4.01 0.00 2.51 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 2.43 2.46 0.00 91 W 8.18 3.74 0.00 3.49 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 92 A 7.65 3.67 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 93 S 7.58 4.36 0.00 3.81 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 94 N 7.10 4.30 0.00 1.44 1.42 0.00 0.00 6.93 7.19 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 95 G 6.88 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 0.00 0.00 0.00 96 V 8.70 4.06 2.16 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 1.03 0.00 0.00 1.10 0.00 0.00 97 P 0.00 4.31 0.00 2.05 1.97 0.00 3.81 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 2.01 2.06 0.00 98 D 8.85 4.58 0.00 2.89 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 99 S 7.78 4.91 0.00 4.29 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.46 4.53 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.73 0.00 0.00 101 I 7.71 4.78 1.50 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.04 0.00 0.00 102 L 8.97 4.38 0.00 0.67 0.44 -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.53 4.96 0.00 1.95 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 2.26 2.36 0.00 104 K 9.13 4.45 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.74 7.81 105 P 0.00 4.46 0.00 2.15 2.00 0.00 3.74 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 1.95 0.00 106 F 7.60 5.13 0.00 3.13 2.98 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 0.00 107 T 8.66 4.51 4.29 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 1.30 0.00 0.00 108 S 8.62 4.25 0.00 3.95 4.04 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 0.00 109 A 8.04 4.05 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 0.00 110 Q 8.04 3.94 0.00 2.46 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 111 L 7.82 3.75 0.00 1.77 1.91 0.65 1.56 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 0.00 112 I 7.88 3.77 1.93 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 1.81 0.78 1.02 0.00 0.00 113 T 8.36 3.86 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 1.21 0.00 0.00 114 A 7.96 3.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.67 3.39 1.86 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 0.45 0.00 0.00 0.70 0.00 0.00 116 S 8.28 4.28 0.00 4.00 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 0.00 117 Q 8.43 4.04 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 118 L 7.62 4.00 0.00 1.78 1.75 0.87 0.85 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 0.00 119 L 8.09 4.16 0.00 1.91 1.78 1.14 0.63 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 0.00 120 N 8.47 4.38 0.00 2.90 2.88 0.00 0.00 6.93 7.15 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 0.00 121 A 7.66 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.66 3.92 0.00 1.86 2.02 0.00 3.33 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 123 E 7.76 4.13 0.00 2.09 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 2.46 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.