NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.9609 8.0700 122.9829 52.2352 21.1885 178.9109 2 L 3.8564 8.0077 117.6429 56.5782 42.1769 177.1548 3 R 3.9021 8.8463 116.9265 59.4836 29.4549 177.9495 4 D 4.2567 7.9721 118.8625 57.2865 40.7687 178.5770 5 R 3.9466 7.6096 116.8103 59.3299 30.3491 179.0127 6 V 3.2382 7.5794 117.7674 65.6478 31.3918 178.3470 7 K 3.9490 8.2828 117.1348 58.7454 31.9918 178.5030 8 K 4.3400 7.6935 117.0896 55.3773 32.2449 176.2203 9 L 4.1038 7.2597 122.7927 55.1614 42.6579 176.2108 10 K 4.5453 9.1730 124.9488 56.4953 35.6996 175.8571 11 L 5.0437 7.7505 121.4222 53.1043 45.4435 174.8058 12 L 4.7916 8.8754 129.1638 53.8160 43.9359 176.0427 13 I 5.0741 8.1492 128.2344 59.2751 39.9740 174.3275 *15 D 4.7729 8.3621 121.3030 54.9989 41.8956 174.2327 16 I 4.2323 7.8401 119.7251 63.0036 38.9033 175.7002 17 D 4.6963 7.8952 122.6255 56.1660 40.7918 176.9704 18 G 4.3875 9.1901 113.2013 45.3585 0.0000 173.2549 19 V 4.0106 7.6541 116.3465 64.3100 33.3804 176.7868 20 L 4.5758 8.0198 116.6516 55.2366 41.7877 176.6303 21 T 4.6996 7.4673 115.1033 61.6667 72.2209 173.5449 22 D 5.1444 8.1196 121.1586 52.9389 39.4727 177.6029 23 G 4.0019 8.2337 108.5949 45.4758 0.0000 174.3858 24 K 4.1364 7.7306 119.2031 56.1576 32.6392 176.1690 25 L 4.8977 8.3190 122.4345 53.2932 44.3460 175.3339 26 Y 4.5506 8.9331 122.0077 56.9752 39.4496 174.1024 27 Y 5.0908 8.8413 122.2500 56.5347 40.8827 175.5727 28 T 4.9052 8.2162 113.3739 59.8278 71.6563 173.4189 29 E 3.9010 9.0564 120.5905 60.0252 29.4115 178.4709 30 H 4.8524 8.0687 113.5248 55.6256 29.8792 175.3452 31 G 3.5527 7.7111 108.0989 44.0157 0.0000 173.1701 32 E 4.2275 7.6806 120.1759 56.2321 28.3518 176.8758 33 T 4.3843 8.1138 120.1090 61.6729 68.9792 174.4097 34 I 4.6351 7.5345 120.5173 59.3295 40.4502 174.7322 35 K 4.3507 8.3248 122.6541 54.3409 35.4850 175.8852 36 V 3.9821 7.7833 122.7148 59.8010 32.7991 175.1248 37 F 5.0276 8.4555 122.2115 55.4776 41.6921 173.5510 38 N 5.0819 8.4345 119.0464 51.5036 41.0270 175.3901 39 V 3.6972 8.5132 125.3848 65.1579 31.4256 178.6273 40 L 4.0268 8.3225 119.5100 57.5125 41.3142 179.1828 41 D 4.5206 7.9924 118.3489 57.1588 40.6076 179.0033 42 G 3.5456 8.0139 105.9861 47.7927 0.0000 175.7722 43 I 3.8912 7.7051 122.5131 63.8789 37.0984 178.7025 44 G 3.6190 8.2194 106.6904 47.7908 0.0000 175.6118 45 I 3.7071 7.9761 122.7130 64.2723 37.2025 178.7484 46 K 3.9925 7.8340 118.7741 59.2995 31.5860 179.2398 47 L 3.9737 7.9602 120.1437 57.9839 42.2615 178.8013 48 L 4.1495 8.1045 119.0742 57.8644 41.3894 179.3840 49 Q 4.1946 7.9569 116.9096 58.5448 28.7416 179.9220 50 K 4.2168 7.9492 120.1451 56.1214 32.3309 177.4541 *52 G 3.8213 7.8915 103.7893 44.4875 0.0000 172.8508 53 I 4.4818 7.5369 121.1596 59.8695 38.2083 176.0069 54 T 4.0557 8.4684 124.6374 63.5511 69.2845 173.3699 55 L 5.0992 9.1443 126.3232 53.0842 43.8263 175.5171 56 A 5.2290 8.8980 125.0283 50.0282 23.0267 174.8471 57 V 4.4347 9.0234 119.2794 61.0931 34.6843 174.4892 58 I 5.0958 8.5593 128.1251 59.7614 39.5640 174.6638 59 S 4.6012 9.3374 122.8794 56.0315 64.3712 175.1490 60 G 2.5256 8.7170 114.0985 48.5128 0.0000 173.2787 61 R 4.8318 7.3818 118.0044 54.9456 31.6711 175.7145 62 D 5.0734 8.3423 120.9553 52.9768 44.1552 175.3872 63 S 4.5113 8.1843 115.3907 55.9939 65.6686 175.3337 64 A 4.0081 8.7678 129.6632 54.9542 18.1601 178.1176 65 P 4.2160 0.0000 0.0000 65.4558 31.4122 178.4946 66 L 4.1892 7.9988 118.6530 58.3506 42.0938 178.8276 67 I 3.6456 7.7719 119.5247 64.7654 37.1018 178.3150 68 T 3.8272 8.0372 116.5785 66.7797 68.3218 176.5247 69 R 3.6752 8.1351 120.4412 59.2797 30.0561 178.4665 70 L 3.8674 8.1959 119.0699 57.8288 41.6326 179.7188 71 K 3.9869 8.3643 118.7713 59.4113 31.7267 179.0013 72 E 3.9317 7.9659 118.6944 58.9603 29.6460 178.0314 73 L 4.3061 7.5632 115.7259 53.9436 42.2101 176.6135 74 G 3.7769 7.7677 107.0008 46.8579 0.0000 175.6348 75 V 4.0791 8.0401 121.0651 61.9955 31.2846 177.2105 76 E 3.5093 7.8054 128.4363 57.2002 29.0814 178.0465 77 E 4.4399 8.2129 133.5133 55.7491 29.3447 171.7974 78 I 4.8848 7.9120 125.3443 59.3046 39.8418 174.4034 79 Y 4.7391 9.4582 125.9825 56.4423 40.1917 174.9947 80 T 5.5726 8.2301 113.9777 59.9640 71.4465 172.5887 81 G 4.1666 8.3414 111.4478 45.6055 0.0000 174.1674 82 S 4.7372 7.7969 113.4575 56.6883 63.9867 173.5008 83 Y 4.5470 8.5493 123.3528 58.1672 38.6196 177.0721 84 K 4.4310 7.9266 122.5501 55.6847 30.6456 177.7272 85 K 4.0460 8.0560 122.5007 59.1614 32.6687 178.4846 86 L 4.0532 7.8377 120.1869 58.2864 41.9344 178.7693 87 E 4.0559 8.1327 118.0771 59.1735 29.4896 179.2810 88 I 3.4771 7.6416 119.5576 64.3096 37.0313 177.3933 89 Y 4.2469 8.4504 120.7970 61.2674 38.6663 178.5011 90 E 3.7633 8.1743 118.7125 59.0408 29.5545 179.5467 91 K 4.0155 7.6553 118.9268 59.2905 32.0791 179.4448 92 I 3.8878 7.6598 120.0359 64.3876 37.0172 178.2917 93 K 3.7726 7.8565 119.5156 59.7287 32.0546 178.9149 94 E 3.9066 8.0343 119.0054 59.0208 29.3735 178.7528 95 K 4.1401 7.9094 117.3153 59.0804 33.1031 177.7193 96 Y 4.3097 8.0138 115.3167 56.7174 38.8810 175.1818 97 S 3.7652 7.4325 114.2258 59.8309 61.0910 172.0903 98 L 4.9484 7.9187 118.0820 52.7703 44.4938 177.4701 99 K 4.3724 9.5345 121.9352 55.7850 33.3027 178.2356 100 D 4.9071 9.0922 119.7856 57.1037 40.8324 179.2547 101 E 4.0714 8.2889 115.3542 58.6870 29.7914 177.1153 102 E 4.7985 7.8740 115.0781 55.1944 30.1378 174.9456 103 I 5.0169 7.6987 120.0293 59.9263 40.7616 174.7178 104 G 4.7672 9.6084 112.7403 44.7731 0.0000 171.9080 105 F 5.0924 9.1675 122.3858 56.6049 43.2236 172.7489 106 I 4.7121 8.1945 127.5296 59.5792 38.9948 174.5665 107 G 4.4667 9.3436 116.8466 44.8637 0.0000 171.9807 108 D 4.6471 9.6527 116.0442 55.1958 44.5288 174.7799 109 D 5.0923 8.1968 115.9285 51.4448 44.4354 176.3396 110 V 3.5734 8.3986 121.5132 65.3067 30.4744 178.2518 111 V 3.6059 7.8965 117.1893 65.8486 31.1911 176.7357 112 D 4.3564 8.2030 116.6076 54.8386 40.7986 178.2745 113 I 3.5822 7.2785 120.5852 64.6266 36.4138 177.5342 114 E 4.1366 7.8899 118.3017 58.3781 29.4702 178.7526 115 V 3.1677 6.9072 117.4895 62.9764 30.7932 177.6584 *117 K 4.2620 8.0313 118.7635 55.2937 33.8938 176.9609 118 K 4.2833 7.1534 113.9213 57.6522 33.1013 177.7160 119 V 3.9385 7.3228 117.8982 62.8593 31.9364 176.1427 120 G 3.7262 8.8872 114.2534 48.3976 0.0000 173.6082 121 F 5.3977 8.5126 123.7573 55.5959 39.2097 171.0668 122 P 4.9385 0.0000 0.0000 61.5763 33.4398 175.8534 123 V 4.6990 9.3526 124.9496 60.7949 34.5055 173.7545 124 A 5.2494 8.4769 129.7448 50.0743 21.5419 176.7874 125 V 4.3362 8.0328 121.5843 60.6412 32.6713 177.4640 126 R 3.8075 8.0647 121.5021 59.3744 29.9277 177.1286 127 N 4.6661 7.9892 111.7449 52.5756 37.6951 174.8900 128 A 4.6034 7.3830 120.9748 51.4332 19.2912 179.0144 129 V 3.8347 7.7371 112.6894 61.0444 33.5992 177.5704 130 E 3.9645 8.8381 119.5442 60.1145 28.7978 179.4772 131 E 3.9714 8.0520 118.0437 59.0001 30.0719 178.8154 132 V 3.9356 7.6387 111.3818 63.3834 31.9259 178.5747 133 R 4.0504 7.9608 118.4312 58.7977 29.6064 179.0594 134 K 3.9512 7.8926 117.6548 59.5512 32.7700 178.1768 135 V 3.7477 7.2664 115.6285 63.3989 31.7774 175.5399 136 A 4.5512 7.2363 122.3241 52.1109 19.6312 177.2649 137 V 4.1537 8.3553 120.7379 64.0951 32.9065 175.6858 138 Y 4.9568 7.7805 120.6911 55.7116 42.3701 173.7611 139 I 4.8741 7.4890 126.3342 59.3235 39.9917 175.5847 140 T 4.1360 8.2851 117.6965 61.5044 69.5647 175.7551 141 Q 4.0746 9.3980 121.8520 58.0464 29.7548 176.5958 142 R 4.3505 8.0557 118.5348 55.0071 31.3985 176.0480 143 N 4.8771 8.6902 119.0718 52.2436 39.7933 174.8013 144 G 4.2311 8.5784 109.1896 46.6046 0.0000 174.9865 145 G 4.0342 9.0513 111.4868 45.6095 0.0000 173.4671 146 E 4.4746 8.2579 117.4242 56.0082 30.2941 176.4529 147 G 3.9883 8.2763 107.3117 45.6641 0.0000 175.7754 148 A 4.0372 8.3450 123.9424 54.9474 18.1552 180.0872 149 L 3.9631 8.1763 118.7101 58.0870 42.2181 178.9117 150 R 3.8740 8.2919 118.3251 59.4571 29.9786 177.7217 151 E 3.9523 8.1105 118.5741 59.4920 29.6304 179.0845 152 V 3.6603 7.7713 117.8017 65.9037 31.6055 177.5883 153 A 4.0293 8.2936 120.7693 55.5604 18.1785 179.5304 154 E 4.1269 8.2649 116.7425 59.1368 29.5370 179.2556 155 L 3.9536 7.9201 120.6069 58.1289 42.1136 179.1805 156 I 3.5903 7.8475 119.8200 64.4222 36.5757 177.6046 157 H 4.0620 8.6114 119.5631 59.3693 29.5998 176.7489 158 F 4.0395 8.1795 122.0033 61.5634 39.0656 177.1815 159 L 3.8068 7.8113 117.0832 57.4880 41.4648 179.2880 160 K 3.9835 7.8977 117.8564 59.0613 32.0828 178.2846 161 N 4.5349 7.3085 113.5138 53.8909 39.0329 175.2539 162 D 4.2644 7.6506 124.3933 54.3320 41.3964 175.2903 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 1 A 8.07 4.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.01 3.86 0.00 1.94 1.73 1.14 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.85 3.90 0.00 2.03 2.19 0.00 3.03 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 4 D 7.97 4.26 0.00 2.71 2.75 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 5 R 7.61 3.95 0.00 2.06 2.25 0.00 3.29 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 6 V 7.58 3.24 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 0.76 0.00 0.00 0.51 0.00 0.00 7 K 8.28 3.95 0.00 1.65 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 8 K 7.69 4.34 0.00 1.73 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 9 L 7.26 4.10 0.00 1.42 1.59 1.05 0.27 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 10 K 9.17 4.55 0.00 1.81 1.77 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.52 7.81 11 L 7.75 5.04 0.00 1.53 1.40 0.10 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.88 4.79 0.00 1.84 1.53 1.03 1.11 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 13 I 8.15 5.07 1.76 0.00 0.00 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 1.16 1.76 0.86 0.00 0.00 *15 D 8.36 4.77 0.00 2.85 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 16 I 7.84 4.23 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 1.03 0.00 0.00 17 D 7.90 4.70 0.00 2.73 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 18 G 9.19 4.39 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 0.00 19 V 7.65 4.01 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 1.07 0.00 0.00 0.96 0.00 0.00 20 L 8.02 4.58 0.00 1.79 1.94 0.95 0.79 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 21 T 7.47 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 D 8.12 5.14 0.00 2.80 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 23 G 8.23 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 24 K 7.73 4.14 0.00 2.00 1.59 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.42 7.81 25 L 8.32 4.90 0.00 1.70 1.88 1.06 1.00 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 26 Y 8.93 4.55 0.00 3.06 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 27 Y 8.84 5.09 0.00 2.76 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 28 T 8.22 4.91 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 1.26 0.00 0.00 29 E 9.06 3.90 0.00 1.90 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 2.09 2.29 0.00 30 H 8.07 4.85 0.00 3.16 3.30 0.00 5.92 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 31 G 7.71 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 0.00 0.00 0.00 32 E 7.68 4.23 0.00 1.40 1.70 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 2.19 2.27 0.00 33 T 8.11 4.38 4.35 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 1.22 0.00 0.00 34 I 7.53 4.64 1.88 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 1.39 0.80 0.62 0.00 0.00 35 K 8.32 4.35 0.00 1.59 0.97 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.38 1.35 7.81 36 V 7.78 3.98 1.63 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 0.56 0.00 0.00 0.82 0.00 0.00 37 F 8.46 5.03 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.43 5.08 0.00 2.87 2.85 0.00 0.00 6.64 7.71 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 39 V 8.51 3.70 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 0.94 0.00 0.00 0.94 0.00 0.00 40 L 8.32 4.03 0.00 1.83 1.77 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.99 4.52 0.00 2.96 2.75 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 8.01 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 0.00 0.00 0.00 43 I 7.71 3.89 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 1.66 0.83 0.90 0.00 0.00 44 G 8.22 3.62 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 0.00 0.00 0.00 45 I 7.98 3.71 1.97 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 1.50 0.95 0.88 0.00 0.00 46 K 7.83 3.99 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.57 7.81 47 L 7.96 3.97 0.00 1.65 1.96 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.10 4.15 0.00 1.91 1.69 0.94 0.71 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 49 Q 7.96 4.19 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.64 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 50 K 7.95 4.22 0.00 1.79 2.02 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *52 G 7.89 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 53 I 7.54 4.48 1.98 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 1.20 0.61 0.94 0.00 0.00 54 T 8.47 4.06 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 1.17 0.00 0.00 55 L 9.14 5.10 0.00 1.55 1.54 0.94 0.91 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 56 A 8.90 5.23 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 57 V 9.02 4.43 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 0.91 0.00 0.00 0.92 0.00 0.00 58 I 8.56 5.10 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.98 0.00 0.00 59 S 9.34 4.60 0.00 3.82 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 60 G 8.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.38 4.83 0.00 1.73 1.88 0.00 3.36 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 62 D 8.34 5.07 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.51 0.00 3.86 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 64 A 8.77 4.01 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 65 P 0.00 4.22 0.00 2.25 2.17 0.00 3.55 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 66 L 8.00 4.19 0.00 1.91 1.94 1.14 1.23 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 67 I 7.77 3.65 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.32 0.89 0.00 0.00 68 T 8.04 3.83 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 1.19 0.00 0.00 69 R 8.14 3.68 0.00 1.63 1.71 0.00 2.81 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 70 L 8.20 3.87 0.00 1.95 1.65 0.84 1.01 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 71 K 8.36 3.99 0.00 1.91 1.82 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 72 E 7.97 3.93 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 73 L 7.56 4.31 0.00 1.72 1.62 0.75 1.11 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 74 G 7.77 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 75 V 8.04 4.08 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 0.80 0.00 0.00 0.92 0.00 0.00 76 E 7.81 3.51 0.00 2.25 1.12 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 2.26 2.50 0.00 77 E 8.21 4.44 0.00 2.41 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 2.52 2.62 0.00 78 I 7.91 4.88 1.79 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 1.33 0.93 0.90 0.00 0.00 79 Y 9.46 4.74 0.00 2.93 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 80 T 8.23 5.57 4.41 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 1.22 0.00 0.00 81 G 8.34 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.80 4.74 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.55 4.55 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.93 4.43 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 85 K 8.06 4.05 0.00 1.77 1.86 0.00 1.91 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.67 7.81 86 L 7.84 4.05 0.00 1.73 1.67 0.91 1.01 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 87 E 8.13 4.06 0.00 2.11 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 2.41 2.47 0.00 88 I 7.64 3.48 1.87 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 1.14 0.89 -0.01 0.00 0.00 89 Y 8.45 4.25 0.00 2.96 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 90 E 8.17 3.76 0.00 2.18 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 2.56 2.53 0.00 91 K 7.66 4.02 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 92 I 7.66 3.89 2.00 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 1.79 0.86 0.96 0.00 0.00 93 K 7.86 3.77 0.00 1.65 1.74 0.00 1.27 0.00 0.00 1.02 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 0.81 7.81 94 E 8.03 3.91 0.00 2.13 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 0.00 2.30 2.30 0.00 95 K 7.91 4.14 0.00 1.86 1.90 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.80 1.18 7.81 96 Y 8.01 4.31 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.43 3.77 0.00 4.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.88 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 2.33 2.26 0.00 115 V 6.91 3.17 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 0.13 0.00 0.00 0.63 0.00 0.00 *117 K 8.03 4.26 0.00 1.89 1.85 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.52 7.81 118 K 7.15 4.28 0.00 1.62 2.10 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.32 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.43 1.34 7.81 119 V 7.32 3.94 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 0.97 0.00 0.00 0.84 0.00 0.00 120 G 8.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.51 5.40 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.94 0.00 2.20 2.12 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 123 V 9.35 4.70 1.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 132 V 7.64 3.94 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 0.92 0.00 0.00 1.02 0.00 0.00 133 R 7.96 4.05 0.00 1.85 1.94 0.00 3.08 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 134 K 7.89 3.95 0.00 1.87 1.92 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.43 7.81 135 V 7.27 3.75 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 0.70 0.00 0.00 0.97 0.00 0.00 136 A 7.24 4.55 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 0.00 137 V 8.36 4.15 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 0.91 0.00 0.00 0.99 0.00 0.00 138 Y 7.78 4.96 0.00 3.14 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 0.00 139 I 7.49 4.87 1.65 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 1.29 0.66 0.81 0.00 0.00 140 T 8.29 4.14 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 1.39 0.00 0.00 141 Q 9.40 4.07 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 142 R 8.06 4.35 0.00 2.02 1.89 0.00 3.29 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 143 N 8.69 4.88 0.00 2.91 2.86 0.00 0.00 6.98 7.61 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 0.00 144 G 8.58 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 0.00 0.00 0.00 0.00 145 G 9.05 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 0.00 146 E 8.26 4.47 0.00 2.13 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 2.26 2.23 0.00 147 G 8.28 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 0.00 148 A 8.34 4.04 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 0.00 149 L 8.18 3.96 0.00 1.75 1.94 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.29 3.87 0.00 2.11 2.14 0.00 3.49 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 151 E 8.11 3.95 0.00 2.18 2.28 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 2.51 2.43 0.00 152 V 7.77 3.66 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 1.20 0.00 0.00 1.19 0.00 0.00 153 A 8.29 4.03 1.43 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 0.00 0.00 154 E 8.26 4.13 0.00 2.18 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 2.61 2.47 0.00 155 L 7.92 3.95 0.00 1.62 1.76 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.85 3.59 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.84 0.00 0.00 157 H 8.61 4.06 0.00 3.21 3.53 0.00 5.79 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 0.00 158 F 8.18 4.04 0.00 3.20 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 0.00 159 L 7.81 3.81 0.00 1.59 1.63 0.88 1.08 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 0.00 160 K 7.90 3.98 0.00 1.69 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 161 N 7.31 4.53 0.00 2.56 2.70 0.00 0.00 7.01 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 0.00 162 D 7.65 4.26 0.00 1.88 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 * Residues marked with a * may have inaccurate shift predictions.