NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6067 8.4244 118.2143 52.3259 38.5685 172.3226 7 V 2.4915 8.0706 118.3260 60.8869 31.2305 174.2850 8 P 4.1493 0.0000 0.0000 62.4102 32.8837 175.8470 9 E 3.8121 8.6792 121.2217 59.3472 29.8108 176.8338 10 D 4.9612 7.7804 119.1386 52.7205 42.5663 175.7660 11 R 5.1980 8.4192 118.6938 55.0643 33.1733 174.0782 12 I 4.7235 8.8401 119.9450 59.5036 40.8154 174.7135 13 Q 3.7320 8.3152 127.9753 55.1703 29.2296 175.1107 14 I 3.9850 8.1692 119.7740 60.0166 39.2848 175.9267 15 G 4.0299 6.6830 109.7816 46.8422 0.0000 170.7551 16 Q 4.8616 7.8184 119.1448 54.7925 33.0698 174.4428 17 L 4.5306 9.0023 127.4392 54.5458 42.5268 175.6040 18 R 5.0630 9.2909 125.9774 55.9370 32.6644 176.8644 19 S 4.4839 8.9617 121.7519 59.4816 64.2480 173.6278 20 A 4.5713 8.7516 124.1116 52.3636 19.1573 176.4086 21 Y 4.4850 8.7269 122.6940 57.0526 40.8395 176.6251 22 G 3.4467 8.3335 117.1802 44.7789 0.0000 172.2185 23 L 4.6251 8.1327 117.2783 54.7940 42.8025 176.9117 24 N 5.0429 7.5857 115.6210 52.4195 38.7689 176.5859 25 G 4.4198 8.4844 105.7671 45.1896 0.0000 174.2552 26 W 4.6370 8.1208 119.5338 56.9057 30.8494 174.8210 27 L 5.3106 8.7916 119.7750 53.1957 46.1000 176.1817 28 W 4.8240 9.7491 122.7619 56.9043 30.5127 175.7266 29 V 5.0395 8.9671 121.5787 60.5147 34.2999 173.6154 30 Y 4.4968 9.4106 125.5233 56.2235 40.3765 174.0136 31 S 4.7811 7.6967 121.0399 56.7927 64.2271 173.1984 32 N 4.8386 8.5925 122.4470 53.3073 39.0579 175.0898 33 T 4.3736 7.5835 109.5925 60.1727 70.7936 174.1497 34 E 4.5084 8.1881 122.3453 54.1553 32.9231 174.3456 35 P 4.6156 0.0000 0.0000 61.9260 30.5647 178.7818 *37 S 4.0359 8.5732 119.3471 58.7293 65.2460 174.6580 38 N 4.5894 7.6852 121.2267 53.5191 36.2968 176.0340 *40 F 4.9398 7.6771 114.2517 57.2462 41.3756 176.1617 41 D 4.6053 8.0155 120.5143 54.8004 41.2296 175.5322 42 Y 4.8306 7.7641 117.4243 56.6271 39.2089 174.8503 43 L 4.5560 8.4225 125.4810 53.1349 44.9685 173.7762 44 P 4.7226 0.0000 0.0000 61.3788 34.1022 174.3446 45 W 5.0001 8.5558 116.9972 55.5945 32.7465 174.8582 46 Y 5.4712 9.0401 121.2335 56.6387 39.6991 174.4771 47 I 5.6092 8.8975 118.6971 58.4805 40.4958 174.7363 48 E 3.5510 8.6007 126.8529 54.9762 29.7880 175.1411 49 T 4.4770 8.0735 118.0581 59.6474 71.2372 176.1147 50 K 3.9538 8.8054 120.5508 58.5747 32.2020 177.5309 51 A 4.6017 7.7325 121.9571 51.3856 19.5300 176.5966 52 G 3.8914 7.8953 108.2693 45.2489 0.0000 173.3043 53 W 4.8475 8.3697 117.6065 56.8623 30.1512 176.4234 54 Q 4.7937 9.2260 120.3435 54.9469 33.1537 173.8055 55 T 5.1814 8.6745 119.2129 62.2608 70.3725 174.3319 56 V 4.5154 9.0465 125.2993 61.2768 35.6438 173.4931 57 D 4.9979 8.3754 125.6797 52.3929 43.4251 175.6527 58 V 3.5280 7.7573 122.8183 62.8049 31.8520 174.9881 59 K 4.1169 8.7563 129.3687 57.7331 33.2962 176.0091 60 R 4.6755 7.0254 113.9922 55.2803 32.8102 173.0403 61 W 5.1109 8.3749 116.4934 55.8966 31.3537 173.5666 62 K 4.5074 8.8529 117.4046 55.5051 35.4571 173.1202 63 P 4.9569 0.0000 0.0000 62.8216 32.2580 175.4933 64 H 4.7244 8.6944 120.5062 54.9256 32.6433 174.6418 65 G 3.8933 8.7176 118.8915 46.0797 0.0000 173.3331 66 K 4.0986 9.3627 121.3521 59.2956 33.4140 177.3929 67 G 4.4036 7.8574 107.3678 44.6683 0.0000 174.4757 68 L 5.4374 8.9727 123.4177 52.7871 46.1473 174.2942 69 V 4.8836 8.7382 114.7440 59.4899 35.4002 175.1206 70 V 4.7661 9.3482 122.9754 59.8900 35.4217 174.2522 71 S 4.1228 8.6115 117.5102 56.3437 64.3653 172.5215 72 L 4.7308 7.9745 127.2678 52.4853 43.6576 176.2556 73 K 3.7187 8.2363 125.0694 58.2361 32.3953 177.1420 74 G 3.8214 8.9557 113.7963 45.2012 0.0000 173.1214 75 V 4.2083 7.6511 119.5773 61.3054 31.8202 174.8991 76 S 4.9507 8.7904 119.9364 56.4597 64.3162 172.8635 77 D 5.2030 7.5381 121.8853 49.7253 43.8625 176.0229 78 R 3.9353 8.4360 118.4876 60.0264 29.5903 178.4246 79 T 4.0601 8.0620 115.1939 66.5079 68.2798 176.7822 80 G 3.6492 8.8377 107.0437 47.1706 0.0000 175.3028 81 A 4.3150 7.8339 122.6342 54.9775 18.4652 179.3156 82 E 4.0876 8.3968 117.1489 58.9234 29.2649 178.6547 83 S 4.5650 7.5743 111.5656 58.7396 63.7762 174.3678 84 L 4.6080 7.8885 122.0117 54.5820 43.7810 176.5063 85 V 3.8494 7.2627 116.5004 64.0071 31.4836 175.6235 86 A 3.8612 9.0147 129.0918 52.3259 16.9223 177.3960 87 S 4.5802 7.8533 112.8128 58.4887 64.9731 173.6783 88 N 4.7946 8.6787 119.2296 53.1612 40.4169 173.7754 89 I 4.9533 8.1388 122.5706 59.4937 39.7260 174.9550 90 W 5.5293 9.6219 126.4196 54.8796 33.6036 174.2009 91 I 5.3927 8.6559 113.2878 59.0345 41.0881 174.6217 92 A 4.4091 9.3073 125.1922 51.7281 18.8958 178.7349 93 K 3.8234 8.6504 122.3472 59.0444 32.3322 177.9198 94 S 4.6704 7.8997 110.9681 57.8304 63.2647 173.2642 95 Q 4.3738 7.9470 123.1130 55.6792 28.7381 175.2388 96 L 4.6092 8.3686 125.9463 53.0257 42.9526 175.1030 97 P 4.2259 0.0000 0.0000 62.7485 31.8962 176.9227 98 K 4.4050 8.8247 120.2144 54.0702 33.1139 174.5741 99 A 4.1358 7.9954 125.2104 51.6349 19.2429 178.7850 100 D 4.6850 8.9050 123.0594 57.5831 40.6165 179.5888 101 V 3.4248 7.5446 111.8887 64.4213 31.5636 177.7392 102 D 4.5329 7.9606 117.3791 56.4254 40.8467 177.6346 103 E 4.3548 7.7275 116.6720 55.8226 30.2523 175.4780 104 Y 4.9415 7.3362 115.7070 56.2907 41.6408 174.0206 105 Y 4.6830 9.3719 119.3022 54.9654 42.3029 176.4481 106 W 4.3355 9.0789 130.5381 61.4168 30.3143 178.0690 107 S 3.7129 8.3601 112.5546 61.8324 62.2176 176.0762 108 D 4.5318 8.2067 120.6063 56.3147 40.9500 177.9014 109 L 4.3205 7.9940 118.6652 53.9825 41.8862 176.4774 110 K 3.4785 7.0081 117.4565 57.7876 32.0199 176.2523 111 G 3.8317 8.7623 111.6488 46.2877 0.0000 172.8202 112 L 4.5414 7.4133 118.8944 53.5128 43.9035 176.0655 113 T 4.6609 8.4460 118.8833 63.0335 70.3315 173.9310 114 V 4.4312 9.0466 126.5842 61.4717 33.4383 174.3333 115 L 4.8612 8.8546 129.3113 53.4664 43.6938 176.5055 116 G 4.7418 8.8900 114.1360 44.7991 0.0000 171.2795 117 L 5.0911 8.5912 123.2797 53.6254 45.0120 176.9818 118 D 4.6682 8.8487 127.1621 52.4023 40.5412 176.8040 119 D 4.2828 8.5150 118.1336 56.5738 39.1726 176.8969 120 E 4.2335 7.6957 117.1848 55.9491 29.1193 176.0964 121 E 3.6512 7.6902 115.9684 57.3467 27.8074 174.2614 122 Q 4.5607 8.3762 117.5771 54.3094 30.3126 174.9838 123 E 4.8702 8.7536 122.3704 56.2485 30.4096 176.4466 124 V 4.3778 8.4496 124.0859 59.7980 34.6389 174.7873 125 N 4.7778 8.7625 123.0277 53.0317 38.0759 174.9462 126 L 3.9573 8.6222 126.8499 56.4388 42.4704 177.6925 127 G 3.6618 6.5324 105.3328 44.5039 0.0000 171.4567 128 Q 5.0900 8.5078 122.8699 53.8755 32.4067 176.1427 129 I 4.1536 8.4185 126.2481 61.8506 37.8678 174.6201 130 H 4.9008 9.4895 129.8154 57.5946 31.3197 174.1097 131 E 4.1538 7.9670 115.6404 54.7838 32.8429 174.9283 132 L 4.6414 7.6391 125.8806 53.7314 44.1664 174.5723 133 F 4.9891 8.6411 121.6693 54.8680 41.6453 173.8516 134 E 4.8841 8.7976 117.8417 54.8659 31.3957 176.5494 135 T 4.3492 9.1198 113.7925 61.9001 69.9726 174.8374 136 G 3.8759 8.2025 113.2986 45.8985 0.0000 174.6734 137 A 4.3994 7.8522 121.4647 53.1414 20.1183 175.9650 138 N 4.9982 8.0666 111.4414 52.5393 43.3005 172.3652 139 D 5.1080 8.4438 118.0031 53.0732 43.7707 176.3799 140 V 4.4612 7.3359 122.2899 61.3205 35.4122 173.4869 *142 V 4.3301 8.2282 117.1087 63.0840 33.0425 175.6059 143 V 4.9421 8.8107 127.5254 61.2048 34.2271 174.3575 144 R 5.0162 8.8610 126.1461 53.9398 33.3302 175.5327 145 A 4.6158 7.8804 122.3104 52.5820 19.0262 176.5141 146 T 4.6829 8.0917 107.9624 59.4384 72.0952 173.2114 147 P 4.4507 0.0000 0.0000 65.3497 31.4816 177.9412 148 D 4.4585 7.5127 118.1920 56.5049 41.0988 176.9386 149 S 4.3824 7.6178 112.5676 58.2398 62.9423 174.1698 150 I 3.9734 8.3240 124.7127 63.4676 38.2666 175.1798 151 D 4.5511 7.6707 118.4077 52.6474 41.0873 175.4901 152 S 4.6799 8.6067 116.2591 58.5389 62.2753 173.6855 153 E 4.3338 8.8643 121.7195 56.4914 30.8490 174.9589 154 E 4.8634 8.6375 122.4558 54.8792 31.2512 175.2665 155 R 4.8511 8.6432 127.7387 55.3663 34.1504 174.7364 *157 I 3.1540 8.3034 122.9486 60.7542 38.1883 173.6466 158 P 4.1801 0.0000 0.0000 62.7701 31.8940 177.2388 159 W 4.4126 8.5880 134.9268 56.1872 29.2292 174.4260 160 H 4.8362 7.3779 120.6349 53.2895 32.5228 174.4497 161 K 3.9866 8.2895 124.4837 59.5774 32.4042 177.5790 162 D 4.7042 8.2957 117.9638 55.8015 41.6260 176.9297 163 V 3.8798 8.0337 118.7143 64.0077 32.4426 176.0523 164 V 4.2363 7.1929 124.5554 60.4472 30.6882 175.0847 165 Q 4.2875 8.2241 125.1440 57.2755 29.6126 176.8475 166 R 4.7858 7.6185 117.7971 54.9180 33.7302 173.6880 167 V 4.2784 9.2827 127.1665 61.3130 33.1875 174.9975 168 D 4.8105 8.8346 128.6183 51.6963 40.9822 175.8088 169 L 3.9719 8.4369 123.4635 57.2283 42.3310 178.5800 170 E 3.9879 8.4804 118.1347 58.9682 29.5611 177.2785 171 A 4.3086 8.2251 118.5584 51.5696 19.5392 177.0194 172 G 3.9007 8.0134 104.4202 46.5803 0.0000 173.5308 173 R 5.0427 7.5605 115.8465 53.9389 35.2187 174.6002 174 I 4.6449 8.1453 121.0128 59.8043 40.9954 174.1034 175 Y 4.8846 8.7034 125.5828 56.8274 39.4307 175.1994 176 V 4.7306 8.6657 117.4241 59.4846 35.6209 175.2948 177 N 4.9162 8.9609 125.3076 52.1012 36.7945 173.1018 178 W 5.0118 7.9697 130.9082 55.4555 35.0678 174.5424 179 G 3.9338 7.8776 114.1049 44.9895 0.0000 173.7844 180 V 3.8277 8.3639 118.6660 66.0100 31.8157 175.6839 181 D 4.4993 7.8395 122.2052 54.5189 40.7670 176.2939 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 6 N 8.42 4.61 0.00 2.72 2.92 0.00 0.00 5.98 6.79 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 7 V 8.07 2.49 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 -1.03 0.00 0.00 0.29 0.00 0.00 8 P 0.00 4.15 0.00 2.17 1.75 0.00 2.70 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 9 E 8.68 3.81 0.00 1.84 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 2.22 2.27 0.00 10 D 7.78 4.96 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.42 5.20 0.00 2.06 1.76 0.00 2.39 0.00 0.00 2.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 12 I 8.84 4.72 1.81 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 1.14 0.73 0.82 0.00 0.00 13 Q 8.32 3.73 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 14 I 8.17 3.98 1.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.11 0.50 0.00 0.00 15 G 6.68 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 0.00 0.00 0.00 16 Q 7.82 4.86 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 17 L 9.00 4.53 0.00 1.72 1.70 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.29 5.06 0.00 2.03 1.79 0.00 3.30 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 19 S 8.96 4.48 0.00 3.99 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 20 A 8.75 4.57 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 21 Y 8.73 4.49 0.00 2.66 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 22 G 8.33 3.45 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 0.00 0.00 0.00 23 L 8.13 4.63 0.00 1.64 1.64 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.59 5.04 0.00 2.91 2.99 0.00 0.00 7.64 7.82 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 25 G 8.48 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 0.00 0.00 0.00 0.00 26 W 8.12 4.64 0.00 3.67 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.79 5.31 0.00 1.72 1.68 1.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 W 9.75 4.82 0.00 3.49 3.24 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 29 V 8.97 5.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 30 Y 9.41 4.50 0.00 3.03 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 31 S 7.70 4.78 0.00 3.53 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 32 N 8.59 4.84 0.00 2.53 2.72 0.00 0.00 6.91 7.12 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 33 T 7.58 4.37 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 1.18 0.00 0.00 34 E 8.19 4.51 0.00 1.82 1.80 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 2.17 2.37 0.00 35 P 0.00 4.62 0.00 2.21 1.75 0.00 3.66 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 2.13 2.09 0.00 *37 S 8.57 4.04 0.00 3.30 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 38 N 7.69 4.59 0.00 2.93 2.78 0.00 0.00 6.86 7.84 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 *40 F 7.68 4.94 0.00 2.74 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 41 D 8.02 4.61 0.00 2.45 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 42 Y 7.76 4.83 0.00 3.30 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 43 L 8.42 4.56 0.00 1.53 1.54 0.92 0.99 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 44 P 0.00 4.72 0.00 2.00 1.99 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.88 0.00 45 W 8.56 5.00 0.00 3.39 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 46 Y 9.04 5.47 0.00 3.31 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 47 I 8.90 5.61 1.96 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 1.41 1.28 1.12 0.00 0.00 48 E 8.60 3.55 0.00 1.16 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 1.47 1.47 0.00 49 T 8.07 4.48 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 1.27 0.00 0.00 50 K 8.81 3.95 0.00 1.76 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 51 A 7.73 4.60 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 52 G 7.90 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 53 W 8.37 4.85 0.00 3.20 3.23 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 54 Q 9.23 4.79 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 55 T 8.67 5.18 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 1.14 0.00 0.00 56 V 9.05 4.52 2.20 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 1.00 0.00 0.00 1.01 0.00 0.00 57 D 8.38 5.00 0.00 2.57 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.76 3.53 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.28 0.00 0.00 59 K 8.76 4.12 0.00 1.32 1.38 0.00 0.96 0.00 0.00 1.30 0.00 0.00 2.59 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.22 7.81 60 R 7.03 4.68 0.00 1.79 1.75 0.00 2.95 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.20 0.00 61 W 8.37 5.11 0.00 2.72 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.85 4.51 0.00 1.76 1.83 0.00 1.22 0.00 0.00 1.58 0.00 0.00 2.44 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.43 1.29 7.81 63 P 0.00 4.96 0.00 2.33 2.31 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 64 H 8.69 4.72 0.00 2.65 2.94 0.00 6.10 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 65 G 8.72 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 9.36 4.10 0.00 1.87 1.96 0.00 1.32 0.00 0.00 1.37 0.00 0.00 2.27 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.50 7.81 67 G 7.86 4.40 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 0.00 0.00 0.00 68 L 8.97 5.44 0.00 1.79 1.84 0.98 1.09 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 69 V 8.74 4.88 1.77 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 -1.41 0.00 0.00 0.73 0.00 0.00 70 V 9.35 4.77 2.45 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 0.99 0.00 0.00 0.94 0.00 0.00 71 S 8.61 4.12 0.00 2.72 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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105 Y 9.37 4.68 0.00 3.12 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 0.00 106 W 9.08 4.34 0.00 3.32 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 0.00 107 S 8.36 3.71 0.00 3.88 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 0.00 108 D 8.21 4.53 0.00 2.96 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 0.00 109 L 7.99 4.32 0.00 1.64 1.65 0.81 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 0.00 110 K 7.01 3.48 0.00 1.39 1.50 0.00 1.40 0.00 0.00 1.33 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.46 7.81 111 G 8.76 3.83 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 0.00 0.00 0.00 112 L 7.41 4.54 0.00 1.52 1.50 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.45 4.66 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 1.22 0.00 0.00 114 V 9.05 4.43 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 0.93 0.00 0.00 0.92 0.00 0.00 115 L 8.85 4.86 0.00 1.48 1.60 0.89 0.59 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 0.00 116 G 8.89 4.74 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 0.00 117 L 8.59 5.09 0.00 1.63 1.54 1.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.85 4.67 0.00 2.93 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 0.00 119 D 8.51 4.28 0.00 2.73 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 0.00 120 E 7.70 4.23 0.00 2.02 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 2.27 2.22 0.00 121 E 7.69 3.65 0.00 1.81 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.35 1.04 1.06 0.00 0.00 130 H 9.49 4.90 0.00 3.19 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.97 4.15 0.00 1.79 1.73 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 1.98 2.30 0.00 132 L 7.64 4.64 0.00 1.51 1.41 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.64 4.99 0.00 3.04 2.93 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 0.00 134 E 8.80 4.88 0.00 1.98 1.89 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 2.36 2.26 0.00 135 T 9.12 4.35 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 1.23 0.00 0.00 136 G 8.20 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 0.00 0.00 0.00 137 A 7.85 4.40 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 0.00 138 N 8.07 5.00 0.00 2.80 2.70 0.00 0.00 6.77 7.94 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 0.00 139 D 8.44 5.11 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.34 4.46 0.67 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 0.90 0.00 0.00 0.67 0.00 0.00 *142 V 8.23 4.33 2.25 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 0.82 0.00 0.00 1.13 0.00 0.00 143 V 8.81 4.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.90 0.00 0.00 144 R 8.86 5.02 0.00 1.78 1.77 0.00 3.04 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 145 A 7.88 4.62 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 0.00 146 T 8.09 4.68 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 1.28 0.00 0.00 147 P 0.00 4.45 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 148 D 7.51 4.46 0.00 2.84 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 0.00 149 S 7.62 4.38 0.00 3.88 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 0.00 150 I 8.32 3.97 1.89 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 1.36 0.81 0.93 0.00 0.00 151 D 7.67 4.55 0.00 2.72 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 0.00 152 S 8.61 4.68 0.00 3.96 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 0.00 153 E 8.86 4.33 0.00 1.99 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 2.45 2.42 0.00 154 E 8.64 4.86 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 155 R 8.64 4.85 0.00 1.79 1.81 0.00 3.31 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 *157 I 8.30 3.15 1.54 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.09 0.14 0.00 0.00 158 P 0.00 4.18 0.00 2.14 2.01 0.00 2.52 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 159 W 8.59 4.41 0.00 3.22 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 0.00 160 H 7.38 4.84 0.00 3.19 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.29 3.99 0.00 1.87 1.82 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.58 7.81 162 D 8.30 4.70 0.00 2.82 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 0.00 163 V 8.03 3.88 2.10 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 0.83 0.00 0.00 1.07 0.00 0.00 164 V 7.19 4.24 1.78 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 0.17 0.00 0.00 0.18 0.00 0.00 165 Q 8.22 4.29 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 166 R 7.62 4.79 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 167 V 9.28 4.28 1.41 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 0.04 0.00 0.00 0.79 0.00 0.00 168 D 8.83 4.81 0.00 2.92 2.61 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 0.00 169 L 8.44 3.97 0.00 1.70 1.76 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.48 3.99 0.00 1.95 2.27 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 2.31 2.33 0.00 171 A 8.23 4.31 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 0.00 172 G 8.01 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 0.00 0.00 0.00 173 R 7.56 5.04 0.00 1.29 1.16 0.00 3.09 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 174 I 8.15 4.64 1.77 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 1.14 0.66 0.87 0.00 0.00 175 Y 8.70 4.88 0.00 2.83 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 0.00 176 V 8.67 4.73 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 0.76 0.00 0.00 1.05 0.00 0.00 177 N 8.96 4.92 0.00 2.33 2.56 0.00 0.00 6.88 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 0.00 178 W 7.97 5.01 0.00 3.38 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 0.00 179 G 7.88 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 0.00 0.00 0.00 180 V 8.36 3.83 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 0.84 0.00 0.00 0.93 0.00 0.00 181 D 7.84 4.50 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.