NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 5.1879 8.0600 119.4787 56.2578 32.3234 174.3834 3 F 2.3147 7.5690 121.2486 57.6214 39.2052 171.9799 4 K 4.1338 7.2576 128.7041 57.2349 34.4057 175.1694 5 A 4.1472 5.9288 117.8773 51.0237 22.4956 174.5572 6 E 4.7215 8.8414 120.9508 55.5004 29.9548 176.2307 7 L 4.2917 9.0369 127.6771 56.2145 42.3934 176.3881 *9 N 4.4902 7.9644 115.3458 52.0103 38.4959 174.0931 10 A 4.2018 8.8128 120.5036 55.1916 18.5726 177.1916 11 P 4.4303 0.0000 0.0000 66.0049 31.6875 179.5411 12 E 4.1937 8.8272 114.7462 57.1474 28.9945 178.8220 *14 R 4.4077 8.1357 121.0108 56.5544 32.0927 177.4306 15 R 3.8858 8.2827 117.2056 59.4546 29.9147 178.3388 16 A 4.0604 8.0577 120.4538 55.3018 18.3681 179.6716 17 L 4.0662 8.0872 116.9446 58.0605 41.6954 179.2611 18 Y 3.8806 8.2673 117.0905 60.7847 37.7979 178.1862 19 R 3.9479 8.1484 119.6502 59.4171 30.1496 178.3848 20 I 3.5698 8.1358 119.7404 64.4300 37.2361 177.8197 21 A 3.9331 8.1195 121.4073 55.7467 18.1909 179.3822 22 H 4.1179 8.3402 114.1633 59.2534 28.8201 177.7411 23 E 4.1938 8.5779 120.6014 59.6229 29.2271 179.7360 24 I 2.8347 7.4371 119.7729 64.0383 37.1661 178.6003 25 V 3.5289 7.5133 118.7331 66.1013 31.5249 177.6881 26 E 3.9830 8.6742 118.4450 59.5666 29.0887 179.3550 27 A 4.1457 7.9009 119.6373 54.8475 18.5815 178.2758 28 N 4.6805 8.0270 112.4004 52.6384 39.1930 174.7020 29 K 3.8295 8.4159 116.3636 56.2799 30.6665 175.5939 30 G 3.7779 6.8025 105.9173 45.0839 0.0000 173.7388 31 T 4.2522 8.1892 114.9812 63.2341 69.6434 174.1599 32 E 3.9003 8.3736 122.2839 57.8442 29.7975 176.1362 33 G 4.0045 8.8177 112.6906 46.2151 0.0000 171.6476 34 L 4.8725 7.8222 120.5043 54.2246 43.0679 175.9230 35 A 4.6246 8.7536 125.6299 50.7885 23.0413 174.9840 36 L 5.2032 8.7764 120.5467 53.0377 45.2470 175.9918 37 V 4.8354 8.8735 121.6737 61.2790 34.6569 174.6281 38 G 4.3743 9.2221 116.5164 45.5876 0.0000 172.3782 39 I 5.2164 8.1832 115.4666 57.8803 41.9266 173.9438 40 H 4.3670 9.6536 117.4272 56.3779 27.8237 173.9026 41 T 3.6738 7.3368 113.2055 64.9724 67.1685 173.6274 42 R 4.3262 7.8016 121.9326 57.9034 30.6896 178.6440 43 G 3.8875 7.8762 107.7607 46.7323 0.0000 175.9148 44 I 3.6643 7.5704 121.7015 63.9898 37.2123 176.5117 45 P 4.3004 0.0000 0.0000 65.7383 31.1665 178.6251 46 L 3.9602 7.7111 117.3963 57.5916 41.3880 179.4983 47 A 3.8860 8.1264 120.9116 55.5565 18.3133 179.2558 48 H 4.0260 8.0079 114.6672 59.1908 28.6566 178.3058 49 R 3.4040 7.8912 119.6347 59.0431 29.7722 179.0932 50 I 3.4082 7.6311 119.4569 64.2375 37.0731 178.3822 51 A 3.7986 8.0659 121.9052 54.8738 18.2874 179.6068 52 R 3.7044 7.7181 117.3512 59.6759 29.9511 178.8691 53 F 4.3997 7.7220 117.7414 60.4088 38.7540 177.7585 54 I 2.4254 7.6823 119.3655 64.0310 36.9257 178.3811 55 A 4.1844 7.6851 122.6685 54.4847 17.8754 179.2803 56 E 4.0177 7.7406 117.1729 58.2384 29.7836 177.3212 57 F 5.0100 7.1007 110.4132 56.1536 38.7874 174.9198 58 E 4.4270 8.4336 121.6187 55.6670 30.9272 175.8193 59 G 4.3096 7.5487 115.1305 45.1348 0.0000 173.8467 60 K 4.0786 7.5382 117.5604 55.8093 33.6583 175.5662 61 E 4.3866 8.3395 120.7812 54.8632 30.9348 175.1020 62 V 4.2612 7.8425 124.9274 60.3488 33.2414 173.6049 63 P 4.3805 0.0000 0.0000 62.6918 32.6128 175.2722 64 V 4.6976 8.4942 123.2129 61.2831 33.5702 175.1261 65 G 4.2327 9.8156 116.4813 44.9425 0.0000 172.0177 66 V 4.8723 8.8691 119.7662 60.6931 34.6096 175.0253 67 L 4.4273 8.5395 128.3391 53.8818 41.9735 175.0668 68 D 4.9259 8.8290 122.4539 53.7868 39.3618 173.8229 69 I 4.8347 7.8263 122.5358 59.2379 41.0589 173.8131 70 T 4.8326 9.5177 124.6162 62.2050 73.4581 172.4533 71 L 4.8528 8.4105 124.1992 52.2542 43.4445 175.6123 *83 P 4.2232 0.0000 0.0000 62.4359 32.1798 175.3867 84 Q 4.6309 9.3150 121.8825 54.0163 32.7093 174.1454 85 V 5.5164 7.9054 120.8661 60.5437 34.3266 175.5920 86 R 4.1223 8.7488 126.3388 58.9539 30.7937 176.4897 87 E 4.7035 7.5684 115.3913 55.4733 33.1248 174.3298 88 T 4.9388 8.6501 123.0094 61.8823 71.4882 173.7279 89 R 4.3462 9.1857 125.7775 54.7422 33.8650 174.2532 90 I 4.2189 7.9836 125.4003 57.7103 38.5233 175.2251 91 P 4.5610 0.0000 0.0000 62.0073 30.6964 175.8955 92 F 4.8126 7.3053 112.9746 55.8370 40.7929 172.7281 93 D 4.6893 8.6680 120.8296 53.1362 41.6176 176.2159 94 L 4.3328 8.5857 127.0801 57.5885 42.1150 177.5916 95 T 4.1551 7.9718 116.0117 64.9333 68.5710 175.0662 96 G 3.9868 8.9927 114.3488 45.7540 0.0000 173.8400 97 K 4.4711 7.6962 118.8163 55.8725 34.3195 176.1218 98 A 5.0420 9.1667 124.5492 51.0969 20.2400 176.0967 99 I 4.9403 8.8759 123.8923 60.5006 39.6663 175.3382 100 V 4.9311 8.9018 127.8576 61.1162 33.4481 174.5899 101 L 4.7180 9.0022 129.5727 54.5635 43.1404 176.2220 102 V 4.8866 9.0697 124.1410 61.2071 33.8350 173.8105 103 D 5.3316 9.1836 127.4683 52.5354 44.5495 176.0174 104 D 4.4608 8.9104 123.8282 55.9620 40.8888 176.2858 105 V 4.8963 7.6525 117.4598 60.6015 34.8370 174.0404 106 L 4.4863 8.9992 130.4488 54.9798 42.5864 174.4277 107 Y 4.6733 8.8974 125.9349 58.0790 38.8887 177.6416 108 T 4.3101 8.1779 114.1607 62.3724 69.8807 176.7104 109 G 3.9593 7.7537 111.7471 45.6243 0.0000 175.7262 110 R 3.9198 7.7286 118.6691 59.3970 29.9292 179.0984 111 T 3.8317 7.8103 114.9334 66.4716 68.5520 176.3663 112 A 3.9920 7.9479 122.1807 55.2322 18.3750 179.3556 113 R 3.7982 8.3536 117.2798 59.6605 30.1625 178.5217 114 A 3.9823 8.1758 120.2359 55.0788 18.2374 179.5408 115 A 3.9408 8.0535 119.3331 55.1305 18.4743 179.5276 116 L 3.8695 8.2390 119.3658 58.2308 42.1076 178.6275 117 D 4.2506 8.4697 118.0586 57.3586 40.9755 178.0483 118 A 3.9748 7.7415 119.6066 55.1401 18.6914 179.1121 119 L 4.0743 8.0804 117.5258 58.3657 41.3554 179.9999 120 I 4.1996 7.6449 120.5457 63.6705 36.7886 177.5451 121 D 4.3495 7.7226 117.1501 55.3981 40.9351 177.2261 122 L 4.6969 8.0609 118.6632 53.7150 42.9537 175.6337 123 G 3.8965 6.5195 104.8143 46.5991 0.0000 172.4410 124 R 4.8096 7.6937 118.4466 53.0041 30.8891 173.9664 125 P 4.8022 0.0000 0.0000 62.4393 31.8596 176.2952 126 R 4.0928 8.8365 123.7544 59.5842 30.6166 176.4326 127 R 4.5865 7.6287 116.3619 55.3674 33.8900 173.9285 128 I 5.0786 7.8572 122.6178 60.1368 40.4203 174.6849 129 Y 4.8200 9.5317 125.3767 56.6233 41.0657 174.7105 130 L 5.1429 9.3539 122.1814 53.5831 45.0571 174.7354 131 A 5.4844 9.5265 129.0964 50.4014 21.7117 175.5182 132 V 5.5428 8.7697 114.7569 58.6324 35.9994 176.3870 133 L 4.0580 8.9149 126.9276 57.9459 42.9972 176.9390 134 V 5.0219 8.3619 111.3479 59.5105 36.3452 174.0569 135 D 5.1947 8.8359 124.1197 52.4033 43.0174 175.6523 136 R 5.3005 8.0658 122.7847 55.1304 30.3344 178.5790 137 G 3.8485 8.8337 110.1567 46.8789 0.0000 172.6250 138 H 4.0487 8.5377 109.9963 56.8459 25.2344 175.4339 139 R 4.4396 7.9423 116.7029 56.7960 30.6683 176.9334 140 E 4.6873 8.8781 118.0137 55.8024 31.5581 175.6197 141 L 4.7803 7.2476 118.0081 52.7351 45.7653 174.5070 142 P 4.7615 0.0000 0.0000 62.9647 31.0322 176.6924 143 I 4.3647 7.5804 118.8361 60.4202 38.4469 175.7756 144 R 4.6344 8.0120 120.6387 54.6372 34.1472 174.3576 145 A 4.5712 8.2787 122.9602 51.4422 19.9879 177.5767 146 D 4.3403 8.6987 123.1637 56.3117 41.6847 177.1662 147 F 5.1182 7.8146 116.1983 55.5347 42.6303 174.6584 148 V 4.7921 8.5163 122.1341 61.3503 33.8259 175.1493 149 G 3.8678 9.4935 116.7318 48.8099 0.0000 173.6387 150 K 4.7555 8.3633 122.2932 54.5410 36.2492 173.9383 151 N 5.0800 8.8173 124.7930 52.4494 39.8683 174.7177 152 V 4.2625 8.6524 124.7035 60.1781 33.6449 172.9530 153 P 4.5749 0.0000 0.0000 62.7104 31.5990 176.1776 154 T 4.9110 8.2821 112.2848 59.8598 72.4052 172.7711 155 S 4.9072 8.7689 115.9010 56.2129 65.2552 175.2888 156 R 3.8443 8.8002 120.9825 59.6376 29.0885 178.5802 157 S 4.2652 8.0296 111.5831 60.8262 63.5139 173.9616 158 E 4.5957 7.7114 119.5824 56.5135 30.3630 176.6808 159 V 4.3757 8.7955 119.9189 61.4636 35.4346 173.5925 160 V 4.8351 8.2848 126.7372 61.1700 33.4759 174.6452 161 K 4.5648 9.2788 127.5315 54.6124 34.7336 175.0151 162 V 4.7308 8.4702 125.1964 61.1519 33.2916 174.7461 163 K 5.0022 9.6133 127.8747 54.7606 35.0414 175.6447 164 V 4.8308 9.2810 117.2166 59.0847 35.4212 176.1221 165 E 4.0911 9.7949 125.1119 60.2014 29.2028 179.9233 166 E 3.9601 8.2163 117.4670 58.9074 29.5533 178.6422 167 V 4.2427 7.7163 115.4525 63.3839 33.5493 176.0578 168 D 4.8522 9.0716 117.1392 53.1938 41.3978 177.9073 169 G 4.0077 9.4686 107.8878 45.3555 0.0000 173.0368 170 E 4.9314 7.3740 118.0159 55.7930 33.1955 174.4545 171 D 5.0337 8.6910 126.4982 53.7583 41.5691 175.6535 172 R 4.6570 9.0949 123.1924 55.1737 34.4805 173.6411 173 V 4.8106 8.5024 124.3239 61.3364 34.1735 173.8324 174 E 5.2842 9.6797 127.8308 54.5627 32.8656 174.6396 175 L 5.1024 8.7636 125.4383 53.3121 44.3399 175.3881 176 W 5.1501 9.3396 125.4855 55.1797 33.5749 173.7247 177 E 4.9138 9.0723 119.8464 55.3519 33.0582 175.1254 178 R 4.2559 7.9453 124.8463 56.4711 30.2158 175.5760 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 R 8.06 5.19 0.00 2.02 2.61 0.00 3.97 0.00 0.00 3.82 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 3 F 7.57 2.31 0.00 1.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.26 4.13 0.00 1.50 1.57 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.19 7.81 5 A 5.93 4.15 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 6 E 8.84 4.72 0.00 2.19 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 2.31 2.43 0.00 7 L 9.04 4.29 0.00 1.68 1.72 0.98 0.89 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 *9 N 7.96 4.49 0.00 2.87 3.16 0.00 0.00 6.02 7.26 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 10 A 8.81 4.20 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 11 P 0.00 4.43 0.00 2.29 2.13 0.00 3.98 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 12 E 8.83 4.19 0.00 2.19 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 0.00 2.35 2.59 0.00 *14 R 8.14 4.41 0.00 1.99 2.18 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 15 R 8.28 3.89 0.00 2.07 2.11 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 A 8.06 4.06 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 17 L 8.09 4.07 0.00 2.19 1.98 1.03 0.96 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 18 Y 8.27 3.88 0.00 3.17 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 19 R 8.15 3.95 0.00 1.97 2.12 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 20 I 8.14 3.57 2.04 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 1.75 0.89 0.83 0.00 0.00 21 A 8.12 3.93 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 0.00 0.00 0.00 0.00 0.00 22 H 8.34 4.12 0.00 3.29 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.58 4.19 0.00 1.90 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 2.40 2.61 0.00 24 I 7.44 2.83 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.06 0.61 0.00 0.00 25 V 7.51 3.53 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 1.11 0.00 0.00 1.03 0.00 0.00 26 E 8.67 3.98 0.00 2.18 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 2.34 2.51 0.00 27 A 7.90 4.15 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 28 N 8.03 4.68 0.00 2.70 2.99 0.00 0.00 7.37 6.22 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 29 K 8.42 3.83 0.00 1.98 1.88 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.55 7.81 30 G 6.80 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 31 T 8.19 4.25 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 1.14 0.00 0.00 32 E 8.37 3.90 0.00 1.92 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 2.30 2.29 0.00 33 G 8.82 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 0.00 0.00 0.00 34 L 7.82 4.87 0.00 1.81 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.75 4.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.78 5.20 0.00 1.56 1.54 0.84 0.73 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 37 V 8.87 4.84 2.15 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 0.96 0.00 0.00 1.08 0.00 0.00 38 G 9.22 4.37 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 0.00 39 I 8.18 5.22 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.72 0.97 0.00 0.00 40 H 9.65 4.37 0.00 3.22 3.46 0.00 5.68 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 41 T 7.34 3.67 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 1.18 0.00 0.00 42 R 7.80 4.33 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.37 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 43 G 7.88 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 44 I 7.57 3.66 2.01 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 1.53 0.58 0.95 0.00 0.00 45 P 0.00 4.30 0.00 2.16 2.11 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 46 L 7.71 3.96 0.00 1.83 1.72 0.96 0.70 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 47 A 8.13 3.89 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 48 H 8.01 4.03 0.00 3.32 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.89 3.40 0.00 1.73 1.28 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 50 I 7.63 3.41 1.90 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 1.40 0.66 0.80 0.00 0.00 51 A 8.07 3.80 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 52 R 7.72 3.70 0.00 1.80 1.61 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 53 F 7.72 4.40 0.00 2.84 2.38 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 54 I 7.68 2.43 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 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1.58 0.91 1.06 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 *83 P 0.00 4.22 0.00 2.06 2.06 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 84 Q 9.31 4.63 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 85 V 7.91 5.52 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 1.10 0.00 0.00 0.93 0.00 0.00 86 R 8.75 4.12 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 87 E 7.57 4.70 0.00 1.98 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 2.22 2.28 0.00 88 T 8.65 4.94 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 1.22 0.00 0.00 89 R 9.19 4.35 0.00 1.64 1.77 0.00 3.05 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 90 I 7.98 4.22 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.03 0.00 0.00 91 P 0.00 4.56 0.00 2.18 2.10 0.00 3.61 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 2.08 2.05 0.00 92 F 7.31 4.81 0.00 3.05 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 93 D 8.67 4.69 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.59 4.33 0.00 1.79 1.77 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.97 4.16 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 96 G 8.99 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 97 K 7.70 4.47 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.67 7.81 98 A 9.17 5.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.88 4.94 1.97 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 1.21 1.05 1.03 0.00 0.00 100 V 8.90 4.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.96 0.00 0.00 101 L 9.00 4.72 0.00 1.83 1.63 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.07 4.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 103 D 9.18 5.33 0.00 2.82 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 0.00 104 D 8.91 4.46 0.00 2.80 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 0.00 105 V 7.65 4.90 2.14 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 0.81 0.00 0.00 0.96 0.00 0.00 106 L 9.00 4.49 0.00 1.85 1.58 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.90 4.67 0.00 2.99 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 0.00 0.00 0.00 0.00 108 T 8.18 4.31 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 0.53 0.00 0.00 109 G 7.75 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 0.00 0.00 0.00 110 R 7.73 3.92 0.00 1.84 1.95 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 111 T 7.81 3.83 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 1.16 0.00 0.00 112 A 7.95 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.35 3.80 0.00 1.91 2.09 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 A 8.18 3.98 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 0.00 115 A 8.05 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.24 3.87 0.00 1.89 1.88 0.92 1.00 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 0.00 117 D 8.47 4.25 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.74 3.97 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 0.00 119 L 8.08 4.07 0.00 1.89 1.76 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.64 4.20 2.00 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 1.53 1.51 0.91 0.00 0.00 121 D 7.72 4.35 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.06 4.70 0.00 1.68 1.65 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 G 6.52 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 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0.00 0.00 0.00 132 V 8.77 5.54 2.14 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 0.86 0.00 0.00 1.01 0.00 0.00 133 L 8.91 4.06 0.00 1.82 1.95 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.36 5.02 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 0.74 0.00 0.00 0.95 0.00 0.00 135 D 8.84 5.19 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.07 5.30 0.00 1.83 1.95 0.00 2.88 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 137 G 8.83 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 0.00 138 H 8.54 4.05 0.00 3.72 3.54 0.00 5.63 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 0.00 139 R 7.94 4.44 0.00 1.80 2.04 0.00 3.44 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 140 E 8.88 4.69 0.00 1.92 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 2.17 2.14 0.00 141 L 7.25 4.78 0.00 1.62 1.47 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.76 0.00 2.02 2.05 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 143 I 7.58 4.36 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 1.28 0.77 0.91 0.00 0.00 144 R 8.01 4.63 0.00 1.71 1.75 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 145 A 8.28 4.57 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 0.00 146 D 8.70 4.34 0.00 1.87 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 0.00 0.00 0.00 147 F 7.81 5.12 0.00 3.01 2.91 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 0.00 148 V 8.52 4.79 2.14 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 0.83 0.00 0.00 0.97 0.00 0.00 149 G 9.49 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 0.00 150 K 8.36 4.76 0.00 1.85 1.63 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.45 7.81 151 N 8.82 5.08 0.00 2.66 2.76 0.00 0.00 6.74 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 0.00 152 V 8.65 4.26 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 0.98 0.00 0.00 0.95 0.00 0.00 153 P 0.00 4.57 0.00 2.08 1.99 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 154 T 8.28 4.91 4.30 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 1.23 0.00 0.00 155 S 8.77 4.91 0.00 4.02 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 0.00 156 R 8.80 3.84 0.00 1.83 2.07 0.00 3.23 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 157 S 8.03 4.27 0.00 4.02 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 0.00 158 E 7.71 4.60 0.00 2.02 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 2.38 2.32 0.00 159 V 8.80 4.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 160 V 8.28 4.84 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 0.88 0.00 0.00 0.88 0.00 0.00 161 K 9.28 4.56 0.00 1.76 1.66 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.03 7.81 162 V 8.47 4.73 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 0.83 0.00 0.00 0.97 0.00 0.00 163 K 9.61 5.00 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.44 7.81 164 V 9.28 4.83 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 0.87 0.00 0.00 0.99 0.00 0.00 165 E 9.79 4.09 0.00 1.95 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 2.37 2.58 0.00 166 E 8.22 3.96 0.00 1.91 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 2.31 2.45 0.00 167 V 7.72 4.24 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 0.91 0.00 0.00 0.93 0.00 0.00 168 D 9.07 4.85 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 9.47 4.01 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 0.00 0.00 0.00 170 E 7.37 4.93 0.00 1.84 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 2.27 2.15 0.00 171 D 8.69 5.03 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 9.09 4.66 0.00 1.86 1.79 0.00 3.48 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 173 V 8.50 4.81 2.14 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 1.07 0.00 0.00 0.98 0.00 0.00 174 E 9.68 5.28 0.00 2.43 2.30 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 2.62 2.48 0.00 175 L 8.76 5.10 0.00 1.63 1.42 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 176 W 9.34 5.15 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 E 9.07 4.91 0.00 2.02 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 2.22 2.27 0.00 178 R 7.95 4.26 0.00 2.01 1.78 0.00 3.54 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.