NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3886 8.0176 115.2530 62.2205 69.4507 176.0129 3 E 3.9320 8.1213 119.8317 58.5573 29.4917 177.0027 4 N 4.4353 8.4288 117.8287 56.4390 39.4403 177.6696 5 L 3.9983 7.9259 121.3829 58.1483 42.0085 178.1542 6 Y 3.9486 8.1796 118.8817 60.7575 38.8591 177.7921 7 F 4.0607 8.3832 117.5098 60.4929 39.3410 177.0202 8 Q 4.3073 8.6868 119.7426 59.0746 28.7530 179.0622 9 G 3.3811 8.0426 103.1248 45.8125 0.0000 175.1466 *11 S 4.4319 8.0076 118.9626 58.3681 65.1080 175.9941 12 D 4.3380 8.0990 120.0534 57.3081 40.3904 179.0797 13 V 3.5565 7.7769 118.7038 65.8889 31.5409 178.1143 14 I 3.8063 7.6161 118.9824 64.6789 37.0792 178.1983 15 E 4.1188 8.4135 119.4775 59.2215 29.2399 179.7155 16 G 3.6092 8.5606 106.3807 47.8578 0.0000 175.9807 17 R 4.5640 8.1580 122.0013 58.3946 30.0610 178.9265 18 L 4.0461 7.9582 120.1373 58.1669 42.1383 179.1034 19 K 4.2321 8.1617 119.7773 59.0622 32.0892 179.1512 20 E 4.0469 8.3286 118.6663 59.0283 29.1376 178.7028 21 L 4.3783 7.6064 116.8755 55.1641 41.9906 177.6453 22 G 3.8252 7.8109 106.9709 44.8628 0.0000 173.3570 23 F 4.9103 8.3166 118.8655 55.5401 41.4513 174.7692 24 T 4.6055 8.2660 114.0677 59.6222 70.9375 174.0204 25 L 4.2215 8.2613 123.4565 53.6979 42.3263 175.5858 26 P 4.6741 0.0000 0.0000 62.1626 33.1550 179.2233 27 V 3.9109 7.7111 116.2026 60.7708 30.5042 178.9787 *32 A 3.8893 8.4967 134.0036 53.2351 18.2518 175.2871 33 A 4.5680 7.7420 122.6704 51.7448 22.2268 175.7930 34 N 4.5708 8.6754 116.0368 54.8145 38.9566 175.2404 35 Y 4.8843 7.6526 115.6902 54.9738 39.3055 175.2074 36 V 4.3534 7.8494 113.7130 58.7704 34.8998 175.0542 37 P 4.7155 0.0000 0.0000 65.4181 32.1419 176.1173 38 F 5.5326 6.8164 110.0176 56.1425 40.8823 173.6414 39 T 4.9472 9.1637 109.8737 60.1477 72.5911 172.4738 40 I 5.1996 8.4662 122.2076 59.6818 40.6688 175.1505 41 S 4.5403 8.9246 120.5383 57.1784 65.5047 173.8531 42 G 3.8111 8.4616 118.3455 47.2616 0.0000 173.3006 43 N 4.9276 8.8314 120.8775 52.0617 37.6149 172.9917 44 L 5.0508 8.0743 119.3672 53.6086 44.3188 175.0168 45 L 5.1022 9.1098 126.4713 53.6701 44.4142 174.4393 46 Y 4.8040 9.3716 125.1192 56.6171 39.7475 174.6915 47 V 4.8834 8.6932 125.7895 61.1167 33.4847 175.6686 48 S 4.5676 9.2674 124.6740 58.1811 63.7384 174.4375 49 G 3.9887 8.7767 109.1925 46.7507 0.0000 172.6480 50 Q 4.8871 9.4058 124.5849 54.4406 31.3442 175.2111 51 L 5.0894 8.3661 122.1592 52.4946 44.3973 174.2018 52 P 4.3894 0.0000 0.0000 62.4465 33.1806 175.0400 *54 E 4.1931 8.6030 122.3366 57.4364 30.4465 175.6442 55 S 3.8398 9.8259 122.1197 59.7182 60.6032 173.3709 56 G 3.9364 8.4993 105.2376 45.5487 0.0000 174.0322 57 K 4.5576 7.6219 117.7934 53.9276 35.2661 176.1851 58 I 3.8255 8.1576 122.1949 61.2694 36.8552 176.2369 59 A 4.1594 8.7754 130.1471 53.7588 18.9430 177.4705 60 V 4.3667 7.6635 115.4887 61.4250 33.9037 174.0601 61 T 4.9525 8.5858 116.4715 60.5895 71.3785 173.6081 62 G 3.8798 8.9607 109.0744 44.2036 0.0000 172.3067 63 L 4.5056 8.8093 118.8139 53.6355 42.4841 177.1790 64 V 3.7402 8.5284 124.4926 64.0261 31.7349 176.8280 65 G 4.0253 9.1920 115.9386 45.3511 0.0000 173.0461 66 R 4.4071 7.3965 116.7661 57.5555 32.0555 175.4518 67 D 4.6828 8.5288 116.1934 55.1590 42.0474 177.5059 68 V 4.4290 7.2116 110.8357 58.6697 35.6424 174.8306 69 D 5.0176 8.1958 123.0922 52.0546 42.5177 177.7175 70 V 3.5644 8.1663 117.4500 66.0587 31.4844 177.4229 71 A 4.2676 7.8885 121.2771 54.8638 18.3066 179.6275 72 S 4.0633 8.8559 113.7660 61.7316 62.8136 176.8469 73 A 4.0203 8.1456 123.4447 55.1087 17.5701 179.6629 74 Q 4.1087 8.5575 117.1214 59.2431 28.7574 179.0420 75 R 4.2805 8.3020 120.7272 58.7746 30.0038 178.2492 76 A 3.9759 8.1050 120.4070 55.2172 18.3639 179.5211 77 A 3.8971 8.2065 119.3502 55.2242 18.0307 179.5174 78 E 3.7392 8.5333 117.5427 59.7039 29.5749 179.7336 79 L 3.8435 8.0138 118.8232 57.8556 41.5550 179.2961 80 C 4.2315 8.3413 116.7251 62.8610 28.0798 176.0932 81 A 3.8824 8.0027 122.2649 55.0537 17.8720 179.8335 82 V 3.4239 7.8229 117.0291 66.1945 31.5566 178.0762 83 N 4.3315 8.2489 116.2337 56.1770 38.2567 177.4227 84 I 3.6923 7.9730 121.4648 64.5065 37.1634 178.4560 85 L 3.9136 8.0118 119.4619 57.6086 41.3950 179.3653 86 A 3.9787 8.1882 120.8445 55.3811 18.2719 179.7583 87 Q 3.9928 8.1165 116.4663 59.0724 28.8238 179.1181 88 V 3.3511 7.9869 119.5853 65.7128 31.5284 177.9549 89 K 3.8481 8.3176 119.4606 59.3278 32.0688 178.5296 90 A 3.9306 8.0411 120.7557 55.3031 18.1520 179.4063 91 A 3.5180 7.4383 118.0403 54.3210 18.4536 178.7982 92 L 4.4606 7.5957 115.9019 53.6700 42.2935 176.4156 93 N 4.4395 9.0847 113.9185 54.4259 36.5758 175.3877 94 G 3.9837 8.8807 105.0097 45.3396 0.0000 174.5620 95 D 4.8741 7.5127 119.6805 51.6516 40.3116 176.3033 96 L 4.1191 7.9562 122.7617 56.4342 42.1884 179.1331 97 S 4.3539 7.8702 112.3613 59.7596 63.5847 175.0287 98 K 4.7084 8.2318 119.8921 56.0931 32.0469 176.4892 99 I 4.1493 7.3492 121.5145 61.5855 37.3667 176.0060 100 R 4.3360 8.9557 125.4380 58.5034 31.1953 177.3593 101 R 4.6108 7.4283 115.7598 55.2387 33.4222 174.0093 102 V 4.0385 8.6591 127.3455 62.8373 31.9769 176.5380 103 I 3.8975 8.7199 130.4158 64.0057 38.3002 176.3899 104 K 4.9737 7.6398 120.8447 55.2347 35.7924 174.1663 105 L 5.0680 8.6703 126.6047 52.9669 45.2383 175.0246 106 N 4.6437 8.8874 121.1511 51.5002 40.8057 174.1206 107 G 3.9467 8.5621 112.7906 44.5972 0.0000 171.9588 108 F 5.5365 8.9126 126.4851 55.6920 41.4423 175.2339 109 V 4.7839 8.7848 124.3363 60.6294 33.9891 174.5303 110 A 4.4976 9.0850 131.5035 52.4506 19.1037 176.2951 111 S 5.1222 8.5038 117.8679 56.8829 67.1527 174.7150 112 V 4.0225 8.4877 116.6438 60.4785 32.2876 175.9267 113 P 4.3094 0.0000 0.0000 65.2714 31.3297 177.5536 114 E 4.2104 8.1050 115.7792 57.0955 29.9586 176.0433 115 F 4.5694 8.1404 122.5717 57.7306 39.7055 175.3808 116 V 4.5262 7.2261 120.6040 60.0838 33.1343 175.4003 117 E 4.5672 5.9000 117.6910 55.6567 30.1542 178.5541 118 Q 4.2885 8.0007 120.2717 59.1495 28.8450 177.7277 119 H 4.2749 8.2973 116.0448 58.7618 28.3177 177.5145 120 L 3.9316 7.3453 120.2322 57.2633 41.8396 179.2099 121 V 3.7858 7.8336 118.1307 66.2615 31.5011 178.2368 122 I 3.8740 7.9646 119.0183 63.8471 36.8351 177.8567 123 N 4.3589 8.3530 117.9798 56.1023 38.1062 177.0657 124 G 3.7950 8.0519 106.8900 47.9889 0.0000 175.4863 125 A 3.9614 7.8485 123.0778 54.7574 18.5190 179.7043 126 S 4.1563 8.2954 113.9296 61.9089 62.8897 176.7968 127 N 4.3360 8.5558 119.5697 56.0365 38.2566 177.2845 128 L 3.9310 7.6485 121.7769 58.2610 42.2417 179.0697 129 I 3.6517 7.9061 119.5962 64.3997 37.0019 178.3623 130 A 4.0251 8.2389 121.6682 55.3155 17.9445 179.8496 131 T 3.7968 7.8436 113.4213 67.0368 68.6777 177.0697 132 V 3.8295 7.8083 112.6568 63.3600 31.7498 177.7183 133 L 4.4494 7.8930 116.7794 55.3201 42.9882 178.8012 134 G 3.7799 8.5844 107.9260 45.3465 0.0000 174.4999 135 E 3.8889 8.9214 118.7494 59.0054 29.8444 178.2422 136 P 4.3310 0.0000 0.0000 65.0818 31.5006 178.2377 137 G 3.6701 8.0763 106.3885 47.1402 0.0000 174.1835 138 R 4.1426 7.8324 120.4237 56.1815 30.6426 175.5003 139 H 5.2850 8.1935 116.3367 52.4771 32.0438 172.8858 140 A 4.2982 8.5174 121.6994 52.7299 19.5966 176.2815 141 R 5.0576 8.0747 116.9989 55.5107 33.2006 173.8277 142 A 4.8959 8.7009 124.3545 50.0452 22.8160 175.0302 143 A 4.9891 8.5360 121.4954 50.4213 21.7242 175.8879 144 V 4.5549 8.8996 115.1311 59.9212 36.5898 175.3379 145 G 4.5985 8.6811 109.6436 44.5499 0.0000 173.4437 *147 A 4.4588 8.4787 122.2305 51.6512 20.2969 176.7242 148 S 4.6186 7.2106 106.8800 58.4101 65.0531 175.3339 149 L 4.8049 7.4640 118.8567 51.9346 45.7154 174.3138 150 P 4.1159 0.0000 0.0000 64.6349 31.6175 176.8447 151 F 3.5473 8.7057 118.5648 57.8671 36.7533 174.5228 152 N 4.1664 8.2504 116.6005 54.1232 37.7483 173.7205 153 A 4.3793 7.8828 118.3348 52.3398 19.0494 179.0954 154 S 4.5549 8.7539 117.9724 60.4800 64.0585 174.6590 155 V 5.0447 7.6451 117.1978 61.1777 34.5623 174.1088 156 E 5.0931 9.4971 126.9444 54.6373 33.4317 174.3002 157 I 4.9687 9.0199 126.6251 59.7041 41.5895 174.3224 158 D 5.3575 8.6933 125.7406 51.9246 42.9127 174.5481 159 A 5.0875 8.4135 118.1721 50.8578 23.2636 175.2850 160 I 4.6477 8.6319 120.5815 59.3227 40.8972 174.9814 161 V 4.7100 8.6305 126.2490 60.9462 34.9182 173.8107 162 E 4.8158 9.5303 130.1826 55.8368 30.5640 175.3059 163 I 5.0292 8.4730 120.0920 58.7833 40.8270 175.0635 164 D 4.4912 9.2261 123.8715 54.4415 41.4862 177.1422 165 V 3.9249 8.2579 122.7298 62.8310 31.7290 175.1709 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 T 8.02 4.39 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 1.24 0.00 0.00 3 E 8.12 3.93 0.00 2.46 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 0.00 2.43 2.51 0.00 4 N 8.43 4.44 0.00 2.82 2.91 0.00 0.00 6.86 6.66 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 5 L 7.93 4.00 0.00 1.86 1.89 0.99 0.87 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 6 Y 8.18 3.95 0.00 3.08 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 7 F 8.38 4.06 0.00 3.16 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 8 Q 8.69 4.31 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 9 G 8.04 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 0.00 0.00 0.00 *11 S 8.01 4.43 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.10 4.34 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.56 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 1.06 0.00 0.00 0.91 0.00 0.00 14 I 7.62 3.81 1.97 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 1.78 0.52 0.90 0.00 0.00 15 E 8.41 4.12 0.00 2.01 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 2.33 2.48 0.00 16 G 8.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.16 4.56 0.00 2.04 2.00 0.00 3.22 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 18 L 7.96 4.05 0.00 1.81 1.89 0.95 0.48 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 19 K 8.16 4.23 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 20 E 8.33 4.05 0.00 2.24 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 2.33 2.51 0.00 21 L 7.61 4.38 0.00 2.07 1.96 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.81 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 23 F 8.32 4.91 0.00 3.09 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 24 T 8.27 4.61 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 1.23 0.00 0.00 25 L 8.26 4.22 0.00 1.67 1.65 0.98 1.06 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 26 P 0.00 4.67 0.00 2.18 2.07 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 27 V 7.71 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 *32 A 8.50 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 33 A 7.74 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.68 4.57 0.00 2.82 2.94 0.00 0.00 6.72 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 35 Y 7.65 4.88 0.00 3.05 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 36 V 7.85 4.35 1.81 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 0.73 0.00 0.00 0.93 0.00 0.00 37 P 0.00 4.72 0.00 2.30 2.20 0.00 3.29 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 2.05 2.03 0.00 38 F 6.82 5.53 0.00 3.07 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 39 T 9.16 4.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 I 8.47 5.20 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.99 0.00 0.00 41 S 8.92 4.54 0.00 3.81 3.75 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 0.00 0.00 0.00 0.00 42 G 8.46 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.83 4.93 0.00 3.13 3.03 0.00 0.00 5.81 6.67 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 44 L 8.07 5.05 0.00 1.91 1.67 0.99 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.11 5.10 0.00 1.70 1.65 1.00 0.61 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 46 Y 9.37 4.80 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 4.88 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 1.08 0.00 0.00 0.95 0.00 0.00 48 S 9.27 4.57 0.00 3.98 3.94 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 49 G 8.78 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 50 Q 9.41 4.89 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 51 L 8.37 5.09 0.00 1.53 1.63 1.10 1.16 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 52 P 0.00 4.39 0.00 2.13 2.37 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 *54 E 8.60 4.19 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 55 S 9.83 3.84 0.00 4.01 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 56 G 8.50 3.94 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 0.00 0.00 0.00 57 K 7.62 4.56 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.55 7.81 58 I 8.16 3.83 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.95 0.00 0.00 59 A 8.78 4.16 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 60 V 7.66 4.37 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.59 4.95 4.36 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 1.25 0.00 0.00 62 G 8.96 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 63 L 8.81 4.51 0.00 1.68 1.57 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.53 3.74 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 -0.28 0.00 0.00 0.77 0.00 0.00 65 G 9.19 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 66 R 7.40 4.41 0.00 1.71 1.84 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 67 D 8.53 4.68 0.00 2.69 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 68 V 7.21 4.43 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 0.81 0.00 0.00 0.82 0.00 0.00 69 D 8.20 5.02 0.00 2.94 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 70 V 8.17 3.56 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 1.13 0.00 0.00 1.19 0.00 0.00 71 A 7.89 4.27 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 72 S 8.86 4.06 0.00 3.86 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 73 A 8.15 4.02 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 74 Q 8.56 4.11 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 75 R 8.30 4.28 0.00 2.01 2.15 0.00 3.47 0.00 0.00 3.75 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 76 A 8.11 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 77 A 8.21 3.90 1.40 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 78 E 8.53 3.74 0.00 2.12 1.60 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.12 3.99 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 88 V 7.99 3.35 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 0.91 0.00 0.00 0.89 0.00 0.00 89 K 8.32 3.85 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 90 A 8.04 3.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 3.52 0.35 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 92 L 7.60 4.46 0.00 1.68 1.68 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.08 4.44 0.00 2.82 2.87 0.00 0.00 7.13 8.14 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 94 G 8.88 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 0.00 0.00 0.00 95 D 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0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 137 G 8.08 3.67 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 0.00 0.00 0.00 138 R 7.83 4.14 0.00 1.89 1.83 0.00 3.10 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 139 H 8.19 5.28 0.00 3.06 3.31 0.00 5.14 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.52 4.30 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 0.00 141 R 8.07 5.06 0.00 1.82 1.75 0.00 3.20 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 142 A 8.70 4.90 1.19 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 0.00 0.00 143 A 8.54 4.99 1.20 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 0.00 0.00 0.00 144 V 8.90 4.55 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 0.76 0.00 0.00 1.26 0.00 0.00 145 G 8.68 4.60 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 0.00 *147 A 8.48 4.46 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 0.00 148 S 7.21 4.62 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.46 4.80 0.00 1.89 1.57 1.11 1.03 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 0.00 150 P 0.00 4.12 0.00 2.34 1.88 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 151 F 8.71 3.55 0.00 3.24 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 0.00 152 N 8.25 4.17 0.00 3.02 2.87 0.00 0.00 7.09 8.07 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 0.00 153 A 7.88 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.75 4.55 0.00 3.82 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 0.00 155 V 7.65 5.04 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 0.81 0.00 0.00 0.99 0.00 0.00 156 E 9.50 5.09 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 157 I 9.02 4.97 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.82 0.00 0.00 158 D 8.69 5.36 0.00 3.12 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 0.00 159 A 8.41 5.09 1.14 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 0.00 0.00 160 I 8.63 4.65 1.65 0.00 0.00 0.73 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 0.64 0.44 0.00 0.00 161 V 8.63 4.71 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 0.79 0.00 0.00 0.86 0.00 0.00 162 E 9.53 4.82 0.00 2.03 1.88 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 2.30 2.26 0.00 163 I 8.47 5.03 1.86 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 1.37 0.86 0.88 0.00 0.00 164 D 9.23 4.49 0.00 2.59 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 0.00 165 V 8.26 3.92 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 0.80 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.