NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3857 8.3344 115.4068 58.0376 65.2003 173.3492 5 R 4.1839 7.1657 121.4584 54.5215 31.7976 171.0379 6 I 4.9738 8.9102 126.5322 59.6230 38.8453 174.4086 7 E 4.8631 9.4182 126.3280 54.5742 33.7669 174.8185 8 L 5.0097 8.6526 121.8240 53.5954 44.3201 175.6353 9 G 4.3707 9.1236 108.1337 44.7507 0.0000 171.5547 10 D 4.9884 8.6659 119.3769 54.0483 41.8538 176.5734 11 V 4.2825 8.2779 121.3069 62.0814 32.5255 175.8700 12 T 4.7822 9.0799 117.5541 58.7466 72.8559 173.0536 13 P 4.3218 0.0000 0.0000 65.7881 31.2601 178.1289 14 H 4.2897 8.3107 116.4793 58.5154 30.2398 175.8802 15 N 4.8953 7.9106 115.5358 52.4576 37.6444 175.8262 16 I 3.6780 7.7626 122.8088 64.8138 37.9566 177.6253 17 K 3.8426 7.9905 118.4605 59.4415 31.9045 178.9527 18 Q 3.9393 7.8929 119.3799 58.8553 28.9952 177.5831 19 L 3.9154 7.9480 121.4020 58.1452 42.1727 178.5379 20 K 3.6921 7.8770 120.8261 58.8929 31.9022 178.5332 21 R 3.8988 7.9525 117.8207 59.3656 29.9217 179.0004 22 L 3.9936 7.9449 118.5208 58.0376 41.6206 179.4112 23 N 4.7846 8.6124 116.5232 56.5920 38.2489 177.5615 24 Q 4.1436 8.0208 118.8886 58.8154 28.8641 178.4836 25 V 3.7239 7.4993 118.2722 65.7350 31.6384 177.8540 26 I 3.6592 7.8356 118.7784 62.3515 36.9313 176.1977 27 F 4.8962 7.9401 118.8201 54.8310 40.6853 175.2769 28 P 4.3734 0.0000 0.0000 64.6101 31.5989 176.6333 29 V 4.1445 6.8467 109.5365 59.4414 33.0752 175.4521 30 S 4.3599 8.1967 120.5182 57.9363 63.6728 173.5590 31 Y 4.2285 8.1598 122.8216 56.5001 38.6788 175.1088 32 N 4.8377 8.4050 119.9026 52.0918 38.9054 175.7718 33 D 4.6947 8.7708 118.0932 57.3350 40.6001 179.1848 34 K 3.9779 8.2156 119.9765 59.2930 32.2860 177.9957 35 F 3.9421 8.6510 121.1334 61.9909 38.6847 176.9775 36 Y 4.1769 7.7614 114.8092 60.7330 37.6454 178.0439 37 K 3.9097 8.7580 121.0116 60.1549 32.2823 178.5766 38 D 4.3941 8.8128 118.9524 57.0858 40.2656 179.1495 39 V 3.5095 7.7465 113.0974 63.9541 31.2038 178.0365 40 L 4.1948 7.6297 116.9518 56.2232 41.6783 177.8088 41 E 4.5686 7.7903 116.8610 56.0491 30.1820 177.1186 42 V 4.0308 7.3614 118.8385 61.6250 32.4764 176.9426 43 G 4.0513 8.4245 108.4321 46.5340 0.0000 176.2653 44 E 4.1838 8.9037 122.7883 58.3678 29.6007 177.5750 45 L 4.1903 7.7493 117.5132 55.6381 41.9985 175.9836 46 A 5.2764 7.7997 120.6291 50.0498 21.6386 175.7941 47 K 4.7895 9.0579 120.2287 54.9115 37.2635 175.5218 48 L 4.7742 8.8241 122.8418 53.9224 43.6556 175.4432 49 A 5.1192 8.4751 124.1866 50.4200 21.7260 175.1483 50 Y 5.0442 9.8440 119.9392 56.0267 41.6486 174.6214 51 F 4.8038 8.9299 125.4866 56.7747 41.5904 175.2814 52 N 3.7698 8.8274 125.9351 54.6693 36.0281 174.7416 53 D 4.4446 7.8111 114.2631 54.6864 39.8292 174.4464 54 I 4.1686 7.8783 121.8416 59.8135 38.0082 174.9287 55 A 3.9450 8.5923 128.8743 52.2336 18.4639 176.9739 56 V 4.2012 8.0910 114.7341 60.5572 34.2711 175.3064 57 G 4.2544 7.5137 106.7102 46.2025 0.0000 172.1214 58 A 5.1613 8.3772 119.6598 50.8047 23.2225 175.7447 59 V 4.8845 8.6615 119.8133 60.0580 34.3683 174.3998 60 C 5.1105 9.0419 121.9191 58.1538 30.9323 173.1508 61 C 5.1264 9.0053 121.0274 57.9556 31.7391 173.2033 62 R 4.7071 8.5780 115.3142 54.8407 33.0463 174.0607 63 V 4.5317 8.3919 120.4246 62.2932 32.7477 174.4218 64 D 4.9193 9.5997 127.9663 52.9585 43.7453 174.4427 65 H 5.6481 9.3033 124.0077 53.8899 28.8751 174.3671 66 S 4.5970 8.2784 117.2518 56.6312 66.2740 173.8269 67 Q 3.2908 9.4874 115.3406 57.2572 27.2567 173.5169 68 N 4.2805 8.3800 112.4338 55.8892 37.5656 173.0118 69 Q 4.6413 8.2604 113.5955 53.5039 33.0950 173.9220 70 K 4.6201 9.6037 121.6868 55.0796 33.8583 175.2978 71 R 5.3961 9.2715 126.6767 54.3941 34.4805 174.3758 72 L 4.8604 8.7225 124.5521 53.8259 43.9301 174.3506 73 Y 4.5553 8.7875 128.8280 56.3473 40.1096 175.1375 74 I 4.1667 7.9253 128.3643 60.4353 39.0092 175.3371 *76 T 3.6685 8.1505 112.6521 61.6748 70.2730 173.0006 77 L 4.8082 8.0088 125.5588 54.9998 44.9034 174.2407 78 G 4.1088 8.6484 112.7072 46.2956 0.0000 170.8965 79 C 5.2543 8.3040 113.7189 55.7942 33.3026 173.8705 80 L 3.9218 8.9741 119.5331 55.6291 41.8658 178.4106 81 A 3.8543 8.9170 127.0189 55.0616 18.3955 177.8062 82 P 4.1556 0.0000 0.0000 64.6895 31.3442 176.6315 83 Y 4.2237 7.8456 114.4675 57.3993 37.6676 175.9893 84 R 4.1598 7.5785 119.9791 56.3741 30.9455 176.3775 85 R 3.7850 8.4309 115.0979 57.7206 27.3492 177.0901 86 L 4.5793 7.6206 111.9193 54.4408 42.6762 177.5508 87 G 4.0545 8.3624 107.1772 45.7632 0.0000 175.7518 88 I 3.8200 7.7821 121.6049 63.9732 37.5226 177.7421 89 G 3.4677 8.0089 107.9018 48.7996 0.0000 174.6498 90 T 4.1898 8.3845 116.7497 66.6346 68.8956 176.9678 91 K 4.0444 8.0873 118.5619 57.2885 31.8728 177.8296 *93 L 4.2317 8.0213 120.8559 54.7069 43.7797 178.4917 94 N 4.3675 8.5309 116.3575 56.4795 38.3871 176.5750 95 H 4.0725 8.1680 119.3421 59.5285 29.8917 177.4631 96 V 3.5341 7.7231 119.2229 65.9224 31.5000 177.8071 97 L 3.9802 8.1646 119.0082 57.7654 41.3625 179.0145 98 N 4.3123 8.8353 117.3391 56.5787 38.9062 176.8872 99 I 3.6560 7.5975 121.1046 64.7667 37.2773 178.1317 100 C 4.1874 8.0076 117.3423 62.8454 27.6680 175.9367 101 E 4.0258 8.1569 119.9837 59.2507 29.3287 178.7345 102 K 4.1466 8.1430 117.8489 59.1890 32.1086 178.7542 103 D 4.5020 7.9773 117.7825 57.3090 41.4511 177.6262 104 G 3.9819 8.7462 105.3621 45.8565 0.0000 173.6057 105 T 4.4086 8.0160 107.4584 60.9984 69.1394 174.3485 106 F 4.6551 7.9097 120.6300 57.4331 40.3307 175.2684 107 D 4.7565 9.6349 125.0166 56.9753 42.2661 175.8357 108 N 5.0536 7.7168 113.3045 52.3836 40.6433 173.0402 109 I 5.2948 8.5084 118.9460 59.5742 41.5818 173.5546 110 Y 5.8016 9.0722 126.0516 56.4171 42.4322 172.8194 111 L 4.3107 8.6515 118.7810 55.6493 44.3007 173.0085 112 H 5.4018 8.6711 115.7320 53.9690 31.1684 174.3562 113 V 4.4965 8.7386 122.6656 60.7345 34.3468 174.2989 114 Q 4.8086 9.3259 128.4912 56.8514 29.1725 178.1050 115 I 3.6888 8.4307 119.6459 63.4713 37.6417 176.9769 116 S 4.4232 7.9895 113.6772 59.1358 63.8144 175.0483 117 N 4.6703 8.2143 122.2916 52.3396 36.1416 174.2783 118 E 4.0212 8.2012 125.6200 58.8733 30.2029 177.9356 119 S 4.1815 8.0889 113.6787 61.1864 63.1721 176.1949 120 A 4.1064 8.2175 123.9387 55.0162 18.1101 179.4507 121 I 3.7959 7.9442 118.3547 64.8412 37.2581 178.2556 122 D 4.4218 8.5222 119.8309 57.3639 40.4603 178.6955 123 F 4.2349 8.3351 119.9255 61.7621 39.7290 176.5331 124 Y 3.9426 8.3756 116.5779 61.0080 37.6742 178.4024 125 R 4.4588 8.4887 120.6365 58.6149 29.8857 178.9897 126 K 3.9904 7.7744 118.3394 58.7839 32.1576 177.8307 127 F 4.5257 8.0845 115.9600 56.8288 39.0313 176.3949 128 G 3.9507 7.9449 106.2259 45.8344 0.0000 174.1389 129 F 4.5056 8.3332 118.3411 56.7392 40.0157 174.1812 130 E 4.8640 8.9829 121.9452 54.2598 32.9517 175.1942 131 I 4.4302 8.5454 122.9097 61.9697 36.9536 175.6217 132 I 4.3062 8.3847 121.2771 61.3278 38.9681 175.3852 133 E 4.7912 7.6269 121.2322 55.7171 32.9380 173.9883 134 T 4.9780 8.5675 121.0112 61.7809 71.7012 173.3599 135 K 4.4794 9.1243 127.0555 54.6690 33.7521 176.2984 136 K 4.4430 8.7435 125.5791 56.7392 32.8173 176.9735 137 N 4.2213 9.5238 122.6355 54.5250 36.7842 175.4116 138 Y 4.0520 8.2228 119.7194 60.5245 39.3584 175.4316 139 Y 4.4890 8.1772 116.5915 57.2018 39.1736 175.5517 140 K 4.1782 8.8509 125.5858 59.3604 32.9283 178.9432 141 R 4.3165 7.8730 114.6420 56.8859 30.4205 178.5333 142 I 4.3854 7.4302 109.1814 59.7339 39.3575 174.6045 143 E 4.7151 8.2022 119.8124 53.7048 32.5754 174.4386 144 P 4.4872 0.0000 0.0000 62.6113 32.3684 176.2435 145 A 4.5098 8.5341 120.8967 54.1485 19.8700 177.2264 146 D 5.2712 8.2180 115.1758 53.8885 42.9947 175.4226 147 A 5.1453 8.5573 121.5727 50.7049 22.9963 175.1688 148 H 5.0012 9.6262 118.9099 55.1959 31.0249 174.6969 149 V 4.5401 9.0847 122.5828 61.7774 33.0063 174.4436 150 L 5.2367 8.6249 128.6604 53.4190 43.7701 175.5730 151 Q 5.1933 9.3683 124.3478 54.3519 33.1632 173.1170 152 K 4.5061 8.3303 127.2981 54.3128 34.4187 174.7164 153 N 4.7758 8.6827 125.3843 53.4603 38.5959 174.9092 154 L 4.3635 8.6888 122.4683 53.6916 43.7154 176.8268 155 K 4.1980 8.0597 122.8312 56.7900 32.4977 175.5924 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 4 S 8.33 4.39 0.00 3.92 4.06 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 0.00 0.00 0.00 0.00 5 R 7.17 4.18 0.00 1.72 1.72 0.00 3.02 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 6 I 8.91 4.97 1.94 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 1.62 0.82 1.00 0.00 0.00 7 E 9.42 4.86 0.00 1.90 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 2.20 2.25 0.00 8 L 8.65 5.01 0.00 1.51 1.55 0.81 0.82 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 9 G 9.12 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 10 D 8.67 4.99 0.00 2.60 2.63 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 0.00 0.00 0.00 0.00 11 V 8.28 4.28 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 0.92 0.00 0.00 12 T 9.08 4.78 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 13 P 0.00 4.32 0.00 2.06 2.19 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 14 H 8.31 4.29 0.00 3.13 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.91 4.90 0.00 3.09 3.11 0.00 0.00 6.64 8.33 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 16 I 7.76 3.68 2.02 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 1.58 1.40 0.96 0.00 0.00 17 K 7.99 3.84 0.00 1.80 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 18 Q 7.89 3.94 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 19 L 7.95 3.92 0.00 1.87 1.89 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.88 3.69 0.00 0.88 1.65 0.00 1.01 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.14 7.81 21 R 7.95 3.90 0.00 2.07 1.96 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 22 L 7.94 3.99 0.00 1.93 1.74 0.84 0.70 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 23 N 8.61 4.78 0.00 3.21 3.20 0.00 0.00 7.09 8.27 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 24 Q 8.02 4.14 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 25 V 7.50 3.72 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 0.79 0.00 0.00 0.97 0.00 0.00 26 I 7.84 3.66 1.35 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 1.31 0.63 -0.21 0.00 0.00 27 F 7.94 4.90 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.37 0.00 2.02 2.09 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 29 V 6.85 4.14 1.87 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 0.70 0.00 0.00 0.10 0.00 0.00 30 S 8.20 4.36 0.00 3.77 3.77 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 31 Y 8.16 4.23 0.00 2.27 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 0.00 0.00 0.00 32 N 8.40 4.84 0.00 3.02 3.00 0.00 0.00 6.06 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 33 D 8.77 4.69 0.00 2.80 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 34 K 8.22 3.98 0.00 1.88 2.01 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.53 7.81 35 F 8.65 3.94 0.00 3.16 2.96 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 36 Y 7.76 4.18 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 37 K 8.76 3.91 0.00 1.99 2.02 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.38 7.81 38 D 8.81 4.39 0.00 2.55 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.75 3.51 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.95 0.00 0.00 40 L 7.63 4.19 0.00 1.77 1.74 0.96 1.29 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 E 7.79 4.57 0.00 1.91 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 2.40 2.42 0.00 42 V 7.36 4.03 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 0.79 0.00 0.00 0.90 0.00 0.00 43 G 8.42 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.90 4.18 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 45 L 7.75 4.19 0.00 1.87 1.65 0.94 0.75 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 46 A 7.80 5.28 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 0.00 0.00 0.00 0.00 0.00 47 K 9.06 4.79 0.00 1.56 1.70 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.27 7.81 48 L 8.82 4.77 0.00 1.65 1.14 0.99 0.56 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 49 A 8.48 5.12 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 50 Y 9.84 5.04 0.00 2.69 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 51 F 8.93 4.80 0.00 3.11 2.74 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 52 N 8.83 3.77 0.00 2.72 2.76 0.00 0.00 7.12 7.60 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 53 D 7.81 4.44 0.00 2.83 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 54 I 7.88 4.17 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.87 0.00 0.00 55 A 8.59 3.94 1.03 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 56 V 8.09 4.20 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 -0.16 0.00 0.00 0.74 0.00 0.00 57 G 7.51 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.38 5.16 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 59 V 8.66 4.88 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 0.83 0.00 0.00 0.95 0.00 0.00 60 C 9.04 5.11 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.01 5.13 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.58 4.71 0.00 1.86 1.92 0.00 2.81 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 63 V 8.39 4.53 2.18 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 0.85 0.00 0.00 1.12 0.00 0.00 64 D 9.60 4.92 0.00 2.85 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 65 H 9.30 5.65 0.00 3.06 3.29 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.28 4.60 0.00 3.92 4.11 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 0.00 0.00 0.00 0.00 67 Q 9.49 3.29 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 68 N 8.38 4.28 0.00 2.85 2.94 0.00 0.00 7.00 7.08 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 69 Q 8.26 4.64 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 70 K 9.60 4.62 0.00 1.66 1.62 0.00 1.35 0.00 0.00 1.27 0.00 0.00 2.30 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.94 1.06 7.81 71 R 9.27 5.40 0.00 2.10 2.11 0.00 3.07 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 72 L 8.72 4.86 0.00 1.18 1.37 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.79 4.56 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.93 4.17 1.56 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.78 0.00 0.00 *76 T 8.15 3.67 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 0.22 0.00 0.00 77 L 8.01 4.81 0.00 1.66 1.67 1.00 0.94 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 78 G 8.65 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.30 5.25 0.00 3.05 2.78 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 80 L 8.97 3.92 0.00 1.79 1.75 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.92 3.85 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 82 P 0.00 4.16 0.00 1.36 1.78 0.00 3.65 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 1.99 2.00 0.00 83 Y 7.85 4.22 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.58 4.16 0.00 1.95 1.76 0.00 3.18 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 85 R 8.43 3.79 0.00 1.92 2.01 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 86 L 7.62 4.58 0.00 1.74 1.76 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.36 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.78 3.82 1.87 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 1.46 0.67 0.91 0.00 0.00 89 G 8.01 3.47 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 0.00 90 T 8.38 4.19 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 1.52 0.00 0.00 91 K 8.09 4.04 0.00 1.96 1.95 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.44 7.81 *93 L 8.02 4.23 0.00 1.74 1.30 0.99 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.53 4.37 0.00 2.90 2.93 0.00 0.00 6.66 7.70 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 95 H 8.17 4.07 0.00 3.37 3.32 0.00 5.78 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 96 V 7.72 3.53 2.21 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 0.94 0.00 0.00 0.94 0.00 0.00 97 L 8.16 3.98 0.00 1.90 1.74 1.08 0.80 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 98 N 8.84 4.31 0.00 2.79 2.93 0.00 0.00 7.21 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.60 3.66 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.91 0.00 0.00 100 C 8.01 4.19 0.00 3.02 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 0.00 101 E 8.16 4.03 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 102 K 8.14 4.15 0.00 1.92 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.60 7.81 103 D 7.98 4.50 0.00 2.88 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 0.00 104 G 8.75 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 0.00 105 T 8.02 4.41 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 1.20 0.00 0.00 106 F 7.91 4.66 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 0.00 107 D 9.63 4.76 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 108 N 7.72 5.05 0.00 2.92 2.88 0.00 0.00 5.63 7.76 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 0.00 109 I 8.51 5.29 1.82 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 1.54 1.99 0.77 0.00 0.00 110 Y 9.07 5.80 0.00 3.32 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 0.00 111 L 8.65 4.31 0.00 1.47 1.41 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.67 5.40 0.00 2.98 2.80 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 0.00 113 V 8.74 4.50 2.18 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 1.08 0.00 0.00 0.94 0.00 0.00 114 Q 9.33 4.81 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 115 I 8.43 3.69 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.67 0.00 0.00 116 S 7.99 4.42 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.21 4.67 0.00 2.90 2.87 0.00 0.00 6.74 8.38 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 0.00 118 E 8.20 4.02 0.00 2.11 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 2.41 2.41 0.00 119 S 8.09 4.18 0.00 4.09 4.11 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 0.00 0.00 0.00 0.00 120 A 8.22 4.11 1.62 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 0.00 121 I 7.94 3.80 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.94 0.97 0.00 0.00 122 D 8.52 4.42 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.34 4.23 0.00 2.89 3.10 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 0.00 0.00 0.00 0.00 124 Y 8.38 3.94 0.00 3.09 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 0.00 125 R 8.49 4.46 0.00 1.98 2.06 0.00 3.19 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 126 K 7.77 3.99 0.00 1.88 1.95 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.21 7.81 127 F 8.08 4.53 0.00 3.26 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 0.00 128 G 7.94 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 0.00 129 F 8.33 4.51 0.00 3.26 3.08 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 0.00 130 E 8.98 4.86 0.00 1.98 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 2.34 2.26 0.00 131 I 8.55 4.43 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.91 0.00 0.00 132 I 8.38 4.31 1.86 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 1.24 0.59 0.99 0.00 0.00 133 E 7.63 4.79 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 134 T 8.57 4.98 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 1.21 0.00 0.00 135 K 9.12 4.48 0.00 1.60 1.78 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.39 7.81 136 K 8.74 4.44 0.00 1.66 1.77 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.49 7.81 137 N 9.52 4.22 0.00 2.80 2.89 0.00 0.00 6.98 7.50 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 0.00 138 Y 8.22 4.05 0.00 2.69 2.74 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 0.00 139 Y 8.18 4.49 0.00 3.12 2.81 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 0.00 140 K 8.85 4.18 0.00 1.68 1.82 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 141 R 7.87 4.32 0.00 1.82 1.83 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 142 I 7.43 4.39 1.76 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.82 0.00 0.00 143 E 8.20 4.72 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 2.20 2.20 0.00 144 P 0.00 4.49 0.00 2.23 2.08 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 145 A 8.53 4.51 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 0.00 146 D 8.22 5.27 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.56 5.15 0.97 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 0.00 0.00 148 H 9.63 5.00 0.00 3.09 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 9.08 4.54 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 0.99 0.00 0.00 0.92 0.00 0.00 150 L 8.62 5.24 0.00 1.49 1.64 1.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.37 5.19 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 152 K 8.33 4.51 0.00 0.79 0.74 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.05 1.09 7.81 153 N 8.68 4.78 0.00 2.60 2.71 0.00 0.00 7.05 7.85 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 0.00 154 L 8.69 4.36 0.00 1.67 1.74 0.92 0.91 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 0.00 155 K 8.06 4.20 0.00 2.19 1.85 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.