NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2990 8.3049 120.3499 54.0988 34.1423 174.4821 2 L 3.8859 8.0305 119.7191 53.9754 41.3698 172.6200 3 K 4.2369 8.5851 123.1581 56.5323 34.3428 175.2801 4 Q 4.9965 8.8755 125.5404 54.6239 30.4874 174.5077 5 V 4.6732 8.8751 127.2159 61.0575 34.6692 173.7300 6 E 4.7121 8.9765 128.3144 55.0864 31.3432 174.7753 7 I 5.0491 8.3591 127.0104 59.4734 41.3998 174.2656 8 F 5.4830 9.2667 124.7611 55.9824 42.2683 174.3262 9 T 5.3401 8.4900 111.8740 60.6513 72.2266 172.4885 10 D 4.6472 8.6566 118.5764 53.8806 45.2996 174.7298 11 G 4.6688 8.8051 109.9370 44.9824 0.0000 171.6552 12 S 5.0100 9.2093 117.3729 57.0246 68.4780 172.6802 13 C 5.0163 8.2672 120.5678 58.2338 34.5792 174.2910 14 L 4.2928 9.2135 125.7780 55.4275 41.3313 176.2858 15 G 4.0792 7.2607 105.9177 45.4396 0.0000 173.7512 16 N 5.0676 8.1592 116.5508 51.7067 39.0151 172.1862 17 P 4.6272 0.0000 0.0000 62.0195 33.5172 175.5581 18 G 3.9541 8.4238 106.3020 45.3582 0.0000 170.5047 19 P 5.1795 0.0000 0.0000 62.1979 32.4633 176.5567 20 G 4.2562 8.6680 110.7594 45.6506 0.0000 170.7574 21 G 4.6887 8.6946 105.4139 45.8794 0.0000 171.9807 22 Y 5.6118 8.0720 117.3375 55.2076 42.3957 174.6057 23 G 4.5897 9.4876 106.0871 44.9231 0.0000 171.6810 24 A 5.4959 9.5323 125.0125 50.4151 23.3914 174.9542 25 I 5.1372 9.2036 121.4210 59.4497 41.2401 174.1861 26 L 5.2500 9.3276 129.0547 53.3525 44.7404 175.1193 27 R 5.2623 9.2098 124.9648 54.6549 33.8200 174.1212 28 Y 4.7810 8.9372 124.7825 56.9054 41.6540 175.3066 29 R 3.3072 9.2298 126.3321 57.0978 27.6110 175.1065 30 G 4.2886 8.0632 112.5427 45.8237 0.0000 173.1823 31 R 4.1410 7.4257 118.7458 56.0767 30.7558 175.1255 32 E 5.2680 8.3680 119.6280 55.0306 32.8040 174.1688 33 K 4.6611 9.5331 126.2454 54.9027 35.2697 175.1323 34 T 5.1511 8.1860 119.9298 61.8707 71.2676 173.7152 35 F 4.9483 9.1463 123.1574 56.0559 43.1619 173.8382 36 S 4.7261 8.7812 114.4812 58.4184 65.3345 173.5979 37 A 4.2045 7.0464 124.1343 51.0681 22.2480 175.2679 38 G 4.3841 8.1126 106.8416 44.5347 0.0000 171.5186 39 Y 5.3652 8.8781 119.4213 55.8983 40.5729 176.8735 40 T 3.8658 9.0318 114.5907 64.5672 69.9603 173.8025 41 R 4.4956 7.8096 122.8079 55.0898 32.3028 173.2646 42 T 4.1131 9.2309 126.6490 61.4563 71.2706 172.1802 43 T 4.8969 8.2784 108.0907 59.0279 72.5770 174.2563 44 N 4.2446 8.8031 119.6180 56.9880 38.9767 176.5220 45 N 4.0546 7.9207 117.2166 56.4123 38.5314 177.4690 46 R 3.9304 7.9707 119.3298 59.5450 30.1081 179.0897 47 M 4.1218 8.0834 118.5081 58.2197 32.0935 178.6653 48 E 4.1288 8.3100 119.0340 59.1289 29.5737 179.4055 49 L 3.9160 7.8921 118.9940 58.0376 41.6794 179.0229 50 M 3.7973 8.1469 118.0074 58.4810 32.0103 178.0467 51 A 3.5835 7.9680 120.6220 55.1184 18.6103 179.5541 52 A 3.9761 7.5905 118.2343 55.1508 18.4423 180.0195 53 I 3.5889 7.8027 118.4911 64.5377 36.9812 178.8861 54 V 3.3821 7.6005 117.9548 65.5947 31.6258 177.6477 55 A 3.6642 7.5982 120.4424 55.1470 18.2773 179.7022 56 L 3.8146 7.6982 117.4750 57.8259 41.4882 179.3428 57 E 4.1031 8.0037 116.5348 58.2271 29.4654 178.5786 58 A 4.1587 7.2378 119.9468 53.0551 18.4749 177.4531 59 L 4.1217 7.1253 118.3211 54.6499 41.8015 176.9633 60 K 4.5499 8.2824 124.3000 55.8070 32.6236 175.9961 61 E 4.7287 7.5427 113.4421 55.4395 31.4671 174.8534 62 H 4.3620 8.9803 117.8237 56.6586 29.2943 174.5680 63 C 5.0307 8.9232 119.2092 58.0409 33.4103 172.3735 64 E 4.9057 9.1540 120.2064 55.0002 30.9383 175.5196 65 V 4.6236 9.1121 125.3337 61.0191 34.8110 174.3890 66 I 4.3114 8.3426 128.8320 59.6635 38.6016 173.9378 67 L 4.5811 7.9016 130.4218 53.1995 43.8651 174.8123 68 S 5.4281 8.8063 122.3462 56.1661 64.5230 172.6725 69 T 5.1335 8.3732 120.4419 61.0390 70.7526 173.3583 70 D 5.1350 8.8336 124.2762 52.5954 40.2817 176.7762 71 S 4.3325 8.2459 115.4758 59.0296 62.5335 173.9972 72 Q 3.8852 8.6911 131.0336 58.7771 28.7575 177.2567 73 Y 4.3293 7.6249 120.4620 60.7626 38.8518 177.8527 74 V 3.6158 8.5862 119.5761 65.8198 31.6740 177.7511 75 R 2.0000 7.7230 118.4972 58.9522 29.5244 178.1310 76 Q 3.3722 7.5114 117.6664 58.8134 28.6172 179.7849 77 G 2.6190 7.0886 106.2110 47.4226 0.0000 175.7688 78 I 3.4939 7.2240 121.7756 63.3226 37.3215 177.3617 79 T 4.2607 6.7348 108.4398 61.0587 68.6338 174.5991 80 Q 3.9189 6.1733 130.2301 56.8909 33.9256 175.0766 81 W 3.6378 6.3526 114.2181 60.5960 29.3285 179.6639 82 I 2.7733 5.9084 117.1338 63.2447 37.9743 176.2885 83 H 4.3148 7.2444 115.2864 57.8701 28.8580 176.9085 84 N 4.2361 7.9060 119.6429 55.8830 38.1748 177.3601 85 W 4.1199 7.2022 119.8658 59.5746 29.2937 178.1239 86 K 3.7861 6.8207 112.8224 57.4013 31.0561 177.1712 87 A 4.6118 7.3365 118.5488 51.9266 22.7161 177.0116 88 R 4.4991 8.2408 116.5077 55.6321 30.3077 176.0050 89 G 4.2301 8.5306 101.7755 47.2303 0.0000 173.7443 90 W 3.5736 7.6193 114.2119 57.3972 27.5605 174.7747 91 K 4.9114 7.7532 115.1034 54.9470 34.5318 176.6207 92 T 4.3580 8.6305 118.5150 61.8913 70.0663 175.8744 93 A 3.9601 8.6145 125.1550 55.7510 18.1253 178.4530 94 D 4.4682 7.9410 111.3781 53.6724 39.5361 177.0240 95 K 3.9933 8.5283 118.4625 56.8993 30.5008 175.9419 96 K 4.4441 8.1966 119.2638 54.6651 33.8109 174.6668 97 P 4.6722 0.0000 0.0000 62.5820 31.5560 176.9560 98 V 3.5968 7.9294 116.9441 60.7203 32.7740 175.8382 99 K 3.9195 8.4332 123.9872 58.1384 32.8350 176.1905 100 N 4.2823 8.9728 121.8663 53.7778 36.5690 176.7961 101 V 3.6688 7.4294 119.7133 65.1154 30.6385 176.8721 102 D 4.1992 7.9359 119.0771 56.3779 39.1618 178.4648 103 L 4.0528 7.7951 119.8047 56.7733 41.7414 179.2645 104 W 4.4605 8.0618 118.8555 60.0561 29.0773 178.5839 105 Q 4.4742 8.2257 118.0315 58.7227 28.0398 178.7032 106 R 3.9493 7.6812 119.3258 59.0227 30.1072 178.3330 107 L 3.9727 8.3505 120.5245 58.3879 42.3662 178.2945 108 D 4.6787 9.0636 118.1397 57.4994 40.8309 178.2801 109 A 4.0826 8.0802 120.3444 55.1294 18.7201 179.1633 110 A 4.1097 7.9100 118.8831 55.0669 18.4192 179.5401 111 L 4.1211 8.6116 118.2111 58.2389 41.6982 179.9948 112 G 3.8727 7.8756 102.4139 46.7640 0.0000 174.3790 113 Q 4.3508 7.8183 118.6442 55.8915 29.3979 174.4348 114 H 5.0360 7.5195 115.7996 54.2013 33.7868 173.1449 115 Q 4.4210 8.8652 119.0400 55.0634 29.5218 174.8993 116 I 4.5252 8.2074 125.1553 59.1225 39.6169 175.3264 117 K 4.3242 8.9941 129.6299 54.4381 33.5374 175.0285 118 W 4.3883 8.5641 127.9485 56.1394 30.4111 176.3800 119 E 4.2948 8.5331 123.3241 54.1191 31.6467 174.5223 120 W 5.1614 8.1817 124.7157 56.4541 30.1662 176.2010 121 V 4.6636 8.5651 117.0844 59.3437 35.7545 176.0338 122 K 4.5119 7.9058 117.3270 55.3638 33.0770 176.6593 *125 A 3.9522 7.7697 120.4359 53.3780 19.8160 177.5676 126 G 3.8969 9.5526 110.7605 45.9435 0.0000 173.7626 127 H 4.9234 7.4257 115.6678 52.3388 29.8342 171.8211 128 P 4.2229 0.0000 0.0000 65.6571 31.7801 178.0380 129 E 3.7232 7.7362 116.7860 59.2741 29.3275 178.9590 130 N 4.5294 7.9226 115.9276 55.9942 38.6380 177.2301 131 E 4.0456 7.8988 120.3830 59.3716 29.5073 179.4123 132 R 4.1095 8.0447 118.1540 59.3138 29.9529 178.9770 133 C 4.2103 7.9539 116.3954 62.7560 28.1184 175.5028 134 D 4.3721 8.0881 119.4624 57.4925 40.8394 178.2140 135 E 3.9889 8.4074 119.1161 59.3703 29.4640 179.3479 136 L 3.9957 8.2900 119.0786 57.5508 41.5791 179.4516 137 A 4.1193 8.3717 120.9963 55.4487 18.3193 179.9303 138 R 3.8677 8.2096 116.4099 59.2709 29.8515 179.2648 139 A 3.9576 7.9491 119.6147 55.1327 18.7097 179.2676 140 A 3.9887 8.1207 119.1065 55.1691 18.1950 179.7395 141 A 4.2077 8.1150 118.7511 55.0570 18.5351 178.8993 142 M 4.3199 7.5107 114.8832 56.1226 33.3495 176.3091 143 N 5.0368 7.8559 116.8143 51.1971 39.8993 173.0620 144 P 4.3998 0.0000 0.0000 63.3128 32.3602 176.8180 145 T 4.5381 8.3159 107.2933 60.7465 70.7612 173.5816 146 L 4.6764 7.4089 121.5837 52.8643 44.5197 174.5332 147 E 4.9331 8.4615 119.4348 54.9837 31.5932 177.1150 148 D 4.7457 8.5544 124.8537 52.5290 39.8475 176.1399 149 T 3.9050 8.2313 112.8822 64.4392 68.9901 176.6476 150 G 3.7343 7.9481 107.8702 46.3136 0.0000 172.4206 151 Y 4.1325 7.9459 122.5168 56.8712 39.4458 174.5703 152 Q 4.2006 7.7891 126.5467 54.6667 29.7722 177.0811 153 V 3.8141 8.4540 122.6761 65.7194 31.8651 175.5316 154 E 4.1000 7.4000 122.5316 56.7184 29.2240 176.5678 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 M 8.30 4.30 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 L 8.03 3.89 0.00 2.04 1.83 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.59 4.24 0.00 1.42 1.08 0.00 1.34 0.00 0.00 0.71 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 4 Q 8.88 5.00 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 5 V 8.88 4.67 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 0.94 0.00 0.00 0.73 0.00 0.00 6 E 8.98 4.71 0.00 2.09 1.79 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 1.79 2.13 0.00 7 I 8.36 5.05 1.59 0.00 0.00 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 1.14 0.64 0.82 0.00 0.00 8 F 9.27 5.48 0.00 2.95 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 9 T 8.49 5.34 4.34 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 1.29 0.00 0.00 10 D 8.66 4.65 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 4.67 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 12 S 9.21 5.01 0.00 3.76 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 13 C 8.27 5.02 0.00 2.93 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 14 L 9.21 4.29 0.00 1.71 1.68 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.26 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.16 5.07 0.00 2.67 2.68 0.00 0.00 6.92 7.69 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 17 P 0.00 4.63 0.00 1.80 1.95 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 18 G 8.42 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 5.18 0.00 2.08 1.98 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 20 G 8.67 4.26 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 0.00 21 G 8.69 4.69 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 0.00 0.00 0.00 22 Y 8.07 5.61 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.49 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.53 5.50 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 25 I 9.20 5.14 2.11 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 1.20 0.81 1.06 0.00 0.00 26 L 9.33 5.25 0.00 1.88 1.72 1.01 0.77 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 27 R 9.21 5.26 0.00 1.95 1.89 0.00 3.22 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 28 Y 8.94 4.78 0.00 2.86 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 29 R 9.23 3.31 0.00 1.31 1.56 0.00 2.90 0.00 0.00 2.57 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 30 G 8.06 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.43 4.14 0.00 2.03 1.93 0.00 3.31 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 32 E 8.37 5.27 0.00 1.96 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 0.00 2.22 2.55 0.00 33 K 9.53 4.66 0.00 1.80 1.42 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 34 T 8.19 5.15 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 35 F 9.15 4.95 0.00 3.08 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 36 S 8.78 4.73 0.00 3.84 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 37 A 7.05 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.11 4.38 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 39 Y 8.88 5.37 0.00 2.90 2.86 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 40 T 9.03 3.87 4.24 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 1.23 0.00 0.00 41 R 7.81 4.50 0.00 1.70 1.72 0.00 3.15 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.35 0.00 42 T 9.23 4.11 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 1.25 0.00 0.00 43 T 8.28 4.90 4.24 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 1.35 0.00 0.00 44 N 8.80 4.24 0.00 2.85 2.82 0.00 0.00 6.88 6.71 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 45 N 7.92 4.05 0.00 2.46 1.83 0.00 0.00 7.09 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.97 3.93 0.00 1.97 1.92 0.00 3.43 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 47 M 8.08 4.12 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.84 0.00 48 E 8.31 4.13 0.00 2.33 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 0.00 2.43 2.73 0.00 49 L 7.89 3.92 0.00 1.77 1.45 0.18 -0.60 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 50 M 8.15 3.80 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.62 0.00 51 A 7.97 3.58 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 52 A 7.59 3.98 1.52 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 0.00 0.00 53 I 7.80 3.59 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.85 0.00 0.00 54 V 7.60 3.38 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.65 0.00 0.00 55 A 7.60 3.66 1.29 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 0.00 0.00 56 L 7.70 3.81 0.00 1.66 1.67 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.00 4.10 0.00 1.89 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 2.32 2.47 0.00 58 A 7.24 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.13 4.12 0.00 1.65 1.53 0.56 0.78 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 60 K 8.28 4.55 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.36 7.81 61 E 7.54 4.73 0.00 2.01 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 2.03 2.19 0.00 62 H 8.98 4.36 0.00 3.00 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.92 5.03 0.00 2.70 2.73 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 64 E 9.15 4.91 0.00 1.83 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 2.41 2.22 0.00 65 V 9.11 4.62 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 0.64 0.00 0.00 0.69 0.00 0.00 66 I 8.34 4.31 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 0.98 0.39 0.74 0.00 0.00 67 L 7.90 4.58 0.00 1.02 0.45 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.81 5.43 0.00 3.77 3.44 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 69 T 8.37 5.13 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 70 D 8.83 5.13 0.00 2.89 2.90 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 71 S 8.25 4.33 0.00 4.10 4.07 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 0.00 0.00 0.00 0.00 72 Q 8.69 3.89 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 73 Y 7.62 4.33 0.00 3.23 3.26 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 74 V 8.59 3.62 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 1.11 0.00 0.00 1.03 0.00 0.00 75 R 7.72 2.00 0.00 0.67 1.35 0.00 2.35 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 76 Q 7.51 3.37 0.00 2.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 77 G 7.09 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 0.00 0.00 0.00 78 I 7.22 3.49 1.40 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 1.50 -0.36 0.40 0.00 0.00 79 T 6.73 4.26 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 1.02 0.00 0.00 80 Q 6.17 3.92 0.00 1.46 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 7.10 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 81 W 6.35 3.64 0.00 1.92 1.74 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 82 I 5.91 2.77 1.50 0.00 0.00 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 1.58 0.52 0.61 0.00 0.00 83 H 7.24 4.31 0.00 3.28 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.91 4.24 0.00 2.43 2.80 0.00 0.00 6.92 7.62 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 85 W 7.20 4.12 0.00 2.46 2.35 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 86 K 6.82 3.79 0.00 1.69 1.73 0.00 2.02 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 0.86 7.81 87 A 7.34 4.61 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.24 4.50 0.00 1.94 1.94 0.00 3.64 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 89 G 8.53 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 90 W 7.62 3.57 0.00 3.26 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 91 K 7.75 4.91 0.00 1.89 1.69 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.53 7.81 92 T 8.63 4.36 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 93 A 8.61 3.96 1.28 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 0.00 0.00 0.00 94 D 7.94 4.47 0.00 2.78 2.77 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 0.00 0.00 0.00 0.00 95 K 8.53 3.99 0.00 1.89 2.01 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.53 7.81 96 K 8.20 4.44 0.00 1.80 1.65 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.64 7.81 97 P 0.00 4.67 0.00 1.82 1.87 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 98 V 7.93 3.60 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 0.39 0.00 0.00 -0.44 0.00 0.00 99 K 8.43 3.92 0.00 1.70 1.83 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.47 7.81 100 N 8.97 4.28 0.00 3.24 2.89 0.00 0.00 6.87 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 0.00 101 V 7.43 3.67 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 0.65 0.00 0.00 0.56 0.00 0.00 102 D 7.94 4.20 0.00 2.82 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 0.00 103 L 7.80 4.05 0.00 1.53 1.57 0.84 0.89 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 0.00 104 W 8.06 4.46 0.00 3.80 3.79 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 0.00 105 Q 8.23 4.47 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 106 R 7.68 3.95 0.00 2.03 2.05 0.00 3.07 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 107 L 8.35 3.97 0.00 1.86 2.01 1.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.06 4.68 0.00 3.12 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 0.00 109 A 8.08 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.91 4.11 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 0.00 111 L 8.61 4.12 0.00 1.97 1.92 1.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.88 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 0.00 0.00 0.00 113 Q 7.82 4.35 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 114 H 7.52 5.04 0.00 2.93 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.87 4.42 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 116 I 8.21 4.53 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.48 -0.36 0.00 0.00 117 K 8.99 4.32 0.00 1.69 1.65 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.28 7.81 118 W 8.56 4.39 0.00 2.83 1.74 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 0.00 119 E 8.53 4.29 0.00 1.67 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 0.00 2.12 2.08 0.00 120 W 8.18 5.16 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.57 4.66 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 0.80 0.00 0.00 0.95 0.00 0.00 122 K 7.91 4.51 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 *125 A 7.77 3.95 1.29 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 0.00 0.00 126 G 9.55 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 0.00 127 H 7.43 4.92 0.00 3.24 3.48 0.00 5.83 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 0.00 128 P 0.00 4.22 0.00 2.06 2.05 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 129 E 7.74 3.72 0.00 1.16 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 1.47 2.03 0.00 130 N 7.92 4.53 0.00 3.01 2.95 0.00 0.00 7.17 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.90 4.05 0.00 2.13 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 2.62 0.00 132 R 8.04 4.11 0.00 1.98 1.96 0.00 3.07 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 133 C 7.95 4.21 0.00 3.29 3.18 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 0.00 134 D 8.09 4.37 0.00 2.92 2.87 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 0.00 135 E 8.41 3.99 0.00 2.20 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 2.34 2.69 0.00 136 L 8.29 4.00 0.00 1.91 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.37 4.12 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 0.00 138 R 8.21 3.87 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 139 A 7.95 3.96 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 0.00 140 A 8.12 3.99 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 0.00 141 A 8.11 4.21 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 0.00 142 M 7.51 4.32 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.89 0.00 143 N 7.86 5.04 0.00 2.60 2.67 0.00 0.00 6.95 7.92 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 0.00 144 P 0.00 4.40 0.00 2.17 2.11 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.32 4.54 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 1.17 0.00 0.00 146 L 7.41 4.68 0.00 0.88 1.40 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.46 4.93 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 148 D 8.55 4.75 0.00 2.58 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 T 8.23 3.91 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 1.33 0.00 0.00 150 G 7.95 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 0.00 151 Y 7.95 4.13 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 0.00 152 Q 7.79 4.20 0.00 1.85 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 153 V 8.45 3.81 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 0.85 0.00 0.00 1.01 0.00 0.00 154 E 7.40 4.10 0.00 1.99 1.79 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 2.29 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.