NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 G 3.8547 8.3549 109.7372 44.8263 0.0000 175.4261 26 D 4.5893 9.0649 127.7208 51.8839 41.6876 173.6309 27 K 4.5047 8.9422 124.3060 53.9554 34.8694 174.9822 28 P 4.8315 0.0000 0.0000 63.2378 32.4529 175.5609 29 R 5.4763 8.9157 121.7917 55.1427 35.3424 173.9693 30 A 4.5307 8.7513 122.2677 50.9167 23.4518 174.7233 31 H 4.8756 7.7942 121.3325 54.2502 32.6623 172.3103 32 L 5.1269 9.0081 126.9240 53.0644 44.6507 175.6928 33 T 5.3967 8.3495 111.1708 59.4895 72.4091 173.6307 34 V 3.9447 8.7000 122.9111 62.0999 32.2197 175.6590 35 V 4.4745 7.8158 115.3532 58.8312 35.0210 175.0107 36 R 3.3127 8.2175 120.9972 56.5035 30.0428 175.9318 37 Q 4.0908 7.9209 124.7453 55.3176 29.7433 175.4981 38 T 4.1877 7.8858 111.9083 59.8410 70.0938 172.9982 39 P 4.2226 0.0000 0.0000 62.7330 31.9521 175.9584 40 T 4.0291 8.4084 119.9595 62.3025 67.9821 174.9801 41 Q 4.1452 8.9727 130.1514 58.3385 28.4743 173.6751 *42 H 4.9981 7.9234 114.6919 52.9707 32.0714 174.7462 *43 F 4.7418 8.6767 120.6429 56.1303 39.3973 177.6590 44 K 4.3091 8.7773 128.7352 53.9362 32.1955 174.9282 45 N 4.7931 8.4008 116.4273 53.7274 35.7863 180.6620 46 Q 4.2779 7.2483 113.6606 55.5090 28.8505 181.1335 47 F 5.0029 8.5305 118.8390 56.7439 39.6335 173.9874 48 P 4.5338 0.0000 0.0000 62.7098 32.5966 175.3315 49 A 4.8445 8.3392 123.6086 51.2512 19.7481 177.2638 50 L 4.1141 8.5123 121.6738 54.8750 42.4114 176.6543 51 H 4.8044 9.1579 119.2977 54.3151 30.4475 174.8694 52 W 5.2661 8.6886 120.8623 54.7880 33.1958 174.9234 53 E 4.3936 9.3875 122.3605 56.1642 29.7443 176.6550 54 H 4.9778 8.7280 118.0878 55.0096 29.7965 173.5213 55 E 4.7807 8.5131 114.4812 56.0511 33.1243 175.1276 56 L 4.6908 8.0969 119.8802 54.0791 44.7276 177.2979 57 G 3.9450 8.1473 110.8730 47.3904 0.0000 175.3771 58 L 4.3517 9.7703 125.3400 54.8027 41.7274 176.1500 59 A 4.8958 7.7335 121.6302 51.4439 19.6995 176.9475 60 F 5.1745 8.5475 115.2177 56.2144 41.6383 173.1838 61 T 5.2824 8.5456 109.5293 60.3057 71.8241 172.7869 62 K 4.5923 9.2363 121.2737 56.0293 36.6607 174.7204 63 N 4.3794 9.5734 114.8879 54.8233 35.6664 175.7394 64 R 4.0794 8.3924 114.7249 56.0412 28.0825 176.2608 65 M 4.2806 7.8683 118.2932 55.6224 32.6628 174.7946 66 N 5.0703 8.5783 123.1082 51.7078 41.4629 173.3447 67 Y 5.1086 8.6211 124.0388 56.2119 40.9762 175.0376 68 T 3.9330 8.1660 123.2197 62.3965 71.8986 173.6785 69 N 4.1883 9.3517 127.2339 54.4629 37.0646 174.2265 70 K 4.5491 7.9903 115.9729 55.7694 30.8652 176.9137 71 F 5.4173 7.4283 117.3347 55.5615 41.5353 174.6039 72 L 4.7518 9.2163 126.0462 54.3913 43.3447 174.8460 73 L 4.9178 9.2978 129.4199 53.4171 44.0801 175.1837 74 I 4.1217 8.6581 128.9796 60.5422 37.5912 175.0676 75 P 4.6713 0.0000 0.0000 63.1267 32.3087 175.3149 76 E 4.7149 7.4915 116.8022 54.7350 32.8261 174.6001 77 S 4.5534 8.8836 122.5721 57.5301 63.7729 174.1393 78 G 4.0213 8.0420 110.2714 46.6700 0.0000 170.1241 79 D 5.4812 7.9283 119.4536 53.5918 42.4355 175.6681 80 Y 4.9103 9.3674 121.2164 56.0685 41.8156 174.3711 81 F 4.9156 8.4463 125.4977 57.1699 41.0919 174.4529 82 I 5.0734 8.1767 126.9959 59.6290 40.2479 174.1572 83 Y 5.2927 8.2169 122.9358 56.1196 42.0504 173.7622 84 S 4.8814 8.8952 113.7259 57.3750 66.6014 172.8017 85 Q 5.5921 7.9454 126.5412 53.2576 32.0562 174.0711 86 V 4.4053 8.2095 125.1055 61.2915 34.5103 174.0680 87 T 4.7445 8.3370 125.3429 63.0534 69.7790 173.8777 88 F 5.3291 10.3173 126.6708 55.9788 41.4454 175.2060 89 R 4.6514 9.3598 119.4864 54.2800 32.5513 174.6933 90 G 3.2682 7.6310 109.4003 44.0078 0.0000 172.5795 91 M 5.0744 8.6407 123.3043 54.0291 32.9533 173.4337 *107 P 4.3432 0.0000 0.0000 62.6521 32.5472 174.9259 108 D 4.7113 8.4826 115.4753 56.8377 42.0604 176.5669 109 S 4.9923 7.8082 110.7441 56.8858 65.9606 173.6517 110 I 4.3004 8.4285 115.1569 59.4688 40.3651 174.5805 111 T 4.9930 8.3717 120.3223 62.0267 73.0518 172.7855 112 V 4.9412 9.0391 126.2633 61.0979 34.4450 174.3752 113 V 4.9681 9.0929 127.2902 61.1956 35.1022 173.8829 114 I 4.7945 8.6989 128.2916 59.9889 39.2923 174.7017 115 T 4.9631 8.8559 123.7504 61.4804 72.1717 172.8318 116 K 4.9018 9.1021 127.3875 54.7931 34.3460 174.7339 117 V 4.7108 8.9489 128.5466 61.4667 33.4731 174.6013 118 T 4.9334 8.2446 116.4054 59.9524 71.5524 173.8528 119 D 4.4540 8.7101 122.2658 56.9130 41.2189 178.2927 120 S 4.5213 7.5111 111.2135 59.3244 62.7021 173.5403 121 Y 4.6050 7.4655 120.2795 56.1831 41.9255 173.5080 122 P 4.2926 0.0000 0.0000 64.6139 31.7945 176.3685 123 E 4.5812 6.9487 114.6170 53.8579 30.8089 174.1411 124 P 4.7711 0.0000 0.0000 63.1384 33.0225 175.2507 125 T 4.5660 8.6663 116.8776 61.8296 71.1817 173.9767 126 Q 4.4747 8.6277 125.5451 55.3832 28.5180 175.7043 127 L 4.0284 8.5506 125.6719 56.8915 42.4277 178.1030 128 L 4.8861 7.5783 117.2586 53.1758 46.2344 175.1537 129 M 5.0897 8.8182 122.2884 53.7849 35.1872 174.3036 130 G 4.1572 9.2939 114.3899 44.8676 0.0000 171.9227 131 T 5.1747 8.4863 120.5164 59.8686 70.3585 172.9123 132 K 4.7120 8.9271 129.2649 54.5549 35.9609 175.0822 133 S 4.7172 8.6571 121.7803 57.9385 64.3256 173.2872 134 V 3.5510 8.3233 123.8169 62.7577 32.3068 173.4362 135 S 3.8171 8.7802 123.9362 59.9749 61.1537 174.3864 *138 G 3.8721 8.5912 105.5716 45.4478 0.0000 174.2538 139 S 4.3418 8.4216 116.2375 59.6177 62.9841 173.0589 140 N 5.3071 8.1928 118.3747 51.2138 40.4776 173.9109 141 W 5.3726 8.6106 120.5023 55.2647 32.0966 173.6652 142 F 5.6414 8.0083 114.5517 56.3768 40.4018 173.6488 143 Q 4.9315 10.0532 118.1582 54.6692 33.6275 171.7622 144 P 5.0610 0.0000 0.0000 61.8567 33.7495 175.0331 145 I 4.6929 8.9126 122.2370 59.8912 40.2483 173.6423 146 Y 5.2053 8.8939 128.2205 55.7911 41.0500 174.7159 147 L 4.8422 8.2403 125.6792 53.0774 46.1936 175.7222 148 G 4.4745 8.5124 108.7813 45.2516 0.0000 171.6324 149 A 4.4682 8.0971 124.4761 51.4985 23.5214 174.2459 150 M 4.9899 8.1129 118.7664 54.2527 34.1195 175.2074 151 F 4.9574 9.1577 123.2448 55.9282 44.1884 173.8676 152 S 5.1536 8.8352 118.7327 57.8284 63.3324 173.5340 153 L 4.9675 9.4392 124.8011 52.9720 45.7293 175.7360 154 Q 4.9292 9.1530 119.3387 53.4804 31.5308 175.2536 155 E 4.1803 8.4778 121.8456 58.3116 29.8790 177.1206 156 G 4.0227 9.3276 115.0053 45.2860 0.0000 173.6723 157 D 4.6263 8.0168 119.5583 54.5783 42.2730 175.7266 158 K 4.9992 8.9320 120.6155 54.5643 35.6974 175.0791 159 L 5.4966 9.1621 124.2960 53.2750 44.7388 175.4583 160 M 5.3180 9.1190 119.3212 53.7214 35.6528 173.8001 161 V 4.5535 8.1691 118.8117 61.2377 34.1056 173.7950 162 N 5.5226 9.2998 125.5928 51.6996 41.2785 174.2770 163 V 4.9558 8.1403 115.0866 59.4015 34.9838 176.2340 164 S 2.7952 8.2361 117.7926 60.5576 63.7953 174.2992 165 D 4.5020 7.7855 121.2426 51.9184 42.4427 175.2749 166 I 3.8164 8.3439 128.0032 63.2514 38.3017 177.3324 167 S 4.4088 7.9520 112.9491 59.6642 63.4184 174.8430 168 L 4.3326 7.8311 120.5417 55.4165 41.9262 176.4043 169 V 3.7263 7.1914 119.0777 61.7600 31.4866 174.9429 170 D 4.0860 8.7058 128.6736 54.8117 40.9000 175.0759 171 Y 4.6880 7.4482 123.6076 56.8209 38.5376 176.6341 172 T 4.0353 7.7144 111.5486 63.7688 69.4102 174.5923 173 K 4.6589 7.5069 122.2845 54.5842 35.1261 176.2401 174 E 4.2221 8.8719 122.6803 58.8426 29.6947 177.3825 175 D 4.7561 8.1513 117.1560 54.1528 40.1912 176.6208 176 K 4.6439 7.9682 118.7385 57.5205 34.3100 176.9601 177 T 4.8688 7.9076 116.3908 61.8181 72.6092 173.2916 178 F 5.4220 8.8224 120.5534 56.6143 42.1406 172.8659 179 F 5.0449 8.8382 120.1189 57.3112 42.9248 173.0719 180 G 3.8226 8.1539 111.7421 44.6958 0.0000 170.8540 181 A 5.3019 8.4858 119.4576 50.9150 23.1977 175.5995 182 F 5.6260 8.6977 115.2000 55.0606 41.7695 173.6383 183 L 3.6585 8.5767 124.9748 54.8240 42.5518 176.8754 184 L 4.3242 8.3599 125.3576 55.1885 41.5745 176.7533 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 25 G 8.35 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 26 D 9.06 4.59 0.00 2.75 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 27 K 8.94 4.50 0.00 1.78 1.75 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 28 P 0.00 4.83 0.00 2.35 2.14 0.00 3.60 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 2.27 2.34 0.00 29 R 8.92 5.48 0.00 1.95 2.03 0.00 3.27 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 30 A 8.75 4.53 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 31 H 7.79 4.88 0.00 3.10 2.75 0.00 5.74 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.01 5.13 0.00 0.81 1.34 0.38 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.35 5.40 4.43 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 1.38 0.00 0.00 34 V 8.70 3.94 2.29 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 0.81 0.00 0.00 0.76 0.00 0.00 35 V 7.82 4.47 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 0.80 0.00 0.00 0.86 0.00 0.00 36 R 8.22 3.31 0.00 1.49 1.61 0.00 3.03 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.00 37 Q 7.92 4.09 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 38 T 7.89 4.19 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 1.08 0.00 0.00 39 P 0.00 4.22 0.00 2.02 1.99 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 40 T 8.41 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 Q 8.97 4.15 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.57 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *42 H 7.92 5.00 0.00 2.86 2.79 0.00 7.14 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 F 8.68 4.74 0.00 2.27 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 0.00 0.00 0.00 44 K 8.78 4.31 0.00 1.67 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 0.99 7.81 45 N 8.40 4.79 0.00 2.91 2.97 0.00 0.00 6.64 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.25 4.28 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 47 F 8.53 5.00 0.00 2.79 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 48 P 0.00 4.53 0.00 2.08 2.18 0.00 3.96 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 49 A 8.34 4.84 1.10 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 0.00 0.00 50 L 8.51 4.11 0.00 1.06 0.55 0.56 0.98 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 51 H 9.16 4.80 0.00 2.98 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.69 5.27 0.00 2.59 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 53 E 9.39 4.39 0.00 2.06 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 2.34 2.33 0.00 54 H 8.73 4.98 0.00 3.24 3.05 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.51 4.78 0.00 2.06 1.93 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 2.26 2.25 0.00 56 L 8.10 4.69 0.00 1.75 1.63 0.95 0.96 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 57 G 8.15 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 58 L 9.77 4.35 0.00 1.70 1.81 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.73 4.90 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 60 F 8.55 5.17 0.00 3.15 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 61 T 8.55 5.28 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 62 K 9.24 4.59 0.00 1.92 2.09 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.54 7.81 63 N 9.57 4.38 0.00 3.07 2.99 0.00 0.00 7.12 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 64 R 8.39 4.08 0.00 2.01 2.26 0.00 3.23 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 65 M 7.87 4.28 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 66 N 8.58 5.07 0.00 2.73 2.71 0.00 0.00 6.06 7.36 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 67 Y 8.62 5.11 0.00 2.90 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 68 T 8.17 3.93 4.16 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 1.13 0.00 0.00 69 N 9.35 4.19 0.00 2.69 2.72 0.00 0.00 7.55 6.68 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 70 K 7.99 4.55 0.00 1.28 1.84 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.07 0.94 7.81 71 F 7.43 5.42 0.00 3.10 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 72 L 9.22 4.75 0.00 1.82 1.51 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.30 4.92 0.00 1.86 1.49 0.87 0.62 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 74 I 8.66 4.12 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.77 0.00 0.00 75 P 0.00 4.67 0.00 2.22 2.40 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 76 E 7.49 4.71 0.00 1.95 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 0.00 2.30 2.33 0.00 77 S 8.88 4.55 0.00 3.95 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 78 G 8.04 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 5.48 0.00 2.61 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 80 Y 9.37 4.91 0.00 2.81 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 81 F 8.45 4.92 0.00 2.85 1.68 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 82 I 8.18 5.07 1.87 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 1.24 0.61 0.99 0.00 0.00 83 Y 8.22 5.29 0.00 3.12 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 84 S 8.90 4.88 0.00 3.75 3.55 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 85 Q 7.95 5.59 0.00 2.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 86 V 8.21 4.41 1.93 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 0.09 0.00 0.00 0.89 0.00 0.00 87 T 8.34 4.74 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 1.29 0.00 0.00 88 F 10.32 5.33 0.00 3.19 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 89 R 9.36 4.65 0.00 1.51 1.75 0.00 2.81 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 90 G 7.63 3.27 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 91 M 8.64 5.07 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 *107 P 0.00 4.34 0.00 2.24 2.16 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 108 D 8.48 4.71 0.00 2.60 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.81 4.99 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.43 4.30 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 0.73 0.00 0.00 111 T 8.37 4.99 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 1.41 0.00 0.00 112 V 9.04 4.94 2.17 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 1.04 0.00 0.00 1.23 0.00 0.00 113 V 9.09 4.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.12 0.00 0.00 114 I 8.70 4.79 1.75 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 1.00 0.41 0.85 0.00 0.00 115 T 8.86 4.96 4.31 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 1.29 0.00 0.00 116 K 9.10 4.90 0.00 1.62 1.56 0.00 1.71 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.26 7.81 117 V 8.95 4.71 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 0.88 0.00 0.00 1.07 0.00 0.00 118 T 8.24 4.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 D 8.71 4.45 0.00 2.70 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 0.00 120 S 7.51 4.52 0.00 4.15 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 0.00 121 Y 7.47 4.61 0.00 3.05 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 0.00 122 P 0.00 4.29 0.00 1.78 1.93 0.00 2.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 123 E 6.95 4.58 0.00 2.27 1.97 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 2.16 2.42 0.00 124 P 0.00 4.77 0.00 2.09 2.10 0.00 3.74 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 1.99 2.02 0.00 125 T 8.67 4.57 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 1.15 0.00 0.00 126 Q 8.63 4.47 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 127 L 8.55 4.03 0.00 1.08 0.19 0.38 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.58 4.89 0.00 1.51 1.52 1.02 0.95 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 0.00 129 M 8.82 5.09 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 130 G 9.29 4.16 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 0.00 0.00 0.00 131 T 8.49 5.17 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 1.22 0.00 0.00 132 K 8.93 4.71 0.00 1.75 1.44 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.31 7.81 133 S 8.66 4.72 0.00 3.83 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 0.00 134 V 8.32 3.55 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 -0.22 0.00 0.00 0.46 0.00 0.00 135 S 8.78 3.82 0.00 3.74 3.48 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 *138 G 8.59 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 0.00 139 S 8.42 4.34 0.00 3.90 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 0.00 140 N 8.19 5.31 0.00 2.72 2.76 0.00 0.00 6.68 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 0.00 141 W 8.61 5.37 0.00 3.34 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 0.00 142 F 8.01 5.64 0.00 3.11 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 0.00 143 Q 10.05 4.93 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 144 P 0.00 5.06 0.00 2.34 2.18 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 145 I 8.91 4.69 2.16 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 1.23 1.09 1.02 0.00 0.00 146 Y 8.89 5.21 0.00 3.07 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 0.00 147 L 8.24 4.84 0.00 1.42 1.42 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.51 4.47 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 0.00 149 A 8.10 4.47 1.04 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 0.00 0.00 150 M 8.11 4.99 0.00 1.97 2.07 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 2.53 2.50 0.00 151 F 9.16 4.96 0.00 2.94 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 0.00 152 S 8.84 5.15 0.00 3.83 3.88 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 0.00 153 L 9.44 4.97 0.00 1.48 1.40 0.59 0.61 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 0.00 154 Q 9.15 4.93 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 155 E 8.48 4.18 0.00 1.96 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 2.33 2.34 0.00 156 G 9.33 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.02 4.63 0.00 2.63 2.50 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 0.00 158 K 8.93 5.00 0.00 1.11 1.00 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.98 1.20 7.81 159 L 9.16 5.50 0.00 1.74 1.75 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 160 M 9.12 5.32 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 161 V 8.17 4.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 -0.27 0.00 0.00 162 N 9.30 5.52 0.00 2.84 2.96 0.00 0.00 6.34 7.63 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 0.00 163 V 8.14 4.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.88 0.00 0.00 164 S 8.24 2.80 0.00 3.58 3.38 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 0.00 165 D 7.79 4.50 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.34 3.82 1.82 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 1.37 1.08 0.87 0.00 0.00 167 S 7.95 4.41 0.00 4.05 3.96 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 0.00 168 L 7.83 4.33 0.00 2.20 1.97 1.12 0.58 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 0.00 169 V 7.19 3.73 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 0.50 0.00 0.00 0.68 0.00 0.00 170 D 8.71 4.09 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.45 4.69 0.00 3.11 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 0.00 172 T 7.71 4.04 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 0.71 0.00 0.00 173 K 7.51 4.66 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.45 7.81 174 E 8.87 4.22 0.00 2.24 2.17 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 2.34 2.38 0.00 175 D 8.15 4.76 0.00 2.89 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 0.00 176 K 7.97 4.64 0.00 1.64 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 177 T 7.91 4.87 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 1.25 0.00 0.00 178 F 8.82 5.42 0.00 3.19 3.29 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 0.00 179 F 8.84 5.04 0.00 1.54 1.45 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 0.00 0.00 0.00 0.00 180 G 8.15 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.49 5.30 1.03 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 0.00 0.00 182 F 8.70 5.63 0.00 3.21 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 0.00 183 L 8.58 3.66 0.00 1.18 1.50 0.40 0.93 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 0.00 184 L 8.36 4.32 0.00 1.66 1.61 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.