NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3257 8.4449 120.2271 55.8088 30.4022 175.4463 4 L 4.1187 8.3172 124.1663 53.7653 42.7135 175.8125 5 K 4.1654 8.7307 120.5663 56.6518 33.8956 175.6801 6 L 4.8097 8.6162 126.2476 54.3431 42.8163 175.5886 7 I 4.8696 8.5167 127.3841 59.8110 40.8803 174.3183 8 H 5.1703 9.1497 123.4203 54.2337 31.0284 173.5741 9 I 4.8703 8.2237 124.6954 59.4872 39.7946 174.5825 10 F 5.4952 9.3922 126.3836 55.8821 41.5189 174.8522 11 T 5.2666 8.8310 112.7192 60.1867 71.7385 172.7752 12 D 4.9410 9.5611 122.9424 52.8608 45.1586 174.0764 13 G 4.7003 8.7052 110.3851 44.8874 0.0000 171.9438 14 S 4.7934 8.8082 114.3447 57.5334 66.4540 173.4369 15 C 4.5933 8.6855 125.0578 58.8051 31.9611 171.9866 16 L 4.3340 8.6226 126.5912 56.3266 40.5200 176.7072 17 G 3.8020 10.3987 113.4545 46.8228 0.0000 171.4102 18 N 4.8054 7.7389 122.8280 51.7675 40.1678 172.2446 19 P 4.5898 0.0000 0.0000 61.4079 32.9102 177.3320 20 G 3.8740 7.3857 105.5602 45.2044 0.0000 169.9575 21 P 4.8297 0.0000 0.0000 62.7138 32.4496 176.0367 22 G 4.1260 8.7851 107.8857 46.7853 0.0000 170.7218 23 G 4.5483 8.7015 106.2035 46.1465 0.0000 171.8922 24 Y 5.5338 8.2825 116.8706 55.2957 41.8246 174.7757 25 G 4.4717 9.4688 106.8075 44.9870 0.0000 171.6331 26 I 5.3688 8.4986 121.8930 59.5907 42.1201 174.1641 27 V 4.9897 8.7870 125.9631 61.3398 34.5255 173.9263 28 M 5.3431 9.1684 127.1123 53.5203 35.2693 174.5800 29 K 5.2476 9.3380 123.3438 54.8144 35.3192 174.6616 30 Y 5.1153 9.2037 126.0101 55.7795 42.1569 175.3655 31 K 3.4570 8.8791 126.2197 58.0044 33.6415 178.0789 32 G 3.6025 8.4953 105.9774 47.0962 0.0000 172.8066 33 H 4.8143 8.5742 119.2549 55.2342 29.8650 174.2606 34 T 5.3959 8.3256 119.1745 61.7661 72.1646 173.0757 35 K 4.8486 9.1343 123.5717 55.2892 36.8991 174.6341 36 E 5.7938 8.5891 118.3368 53.8875 33.0584 175.1098 37 M 5.0394 8.5282 121.6845 54.0217 36.5828 174.0898 38 S 4.5436 7.3756 113.4260 58.8126 66.1751 173.5091 39 G 3.5854 6.9898 103.2660 45.3757 0.0000 172.8192 40 G 4.5838 8.2370 108.3294 44.0784 0.0000 171.9097 41 F 5.2834 9.5467 121.2379 55.1716 42.6002 176.4567 42 S 4.2605 9.1313 117.2942 61.1056 64.1655 173.9959 43 L 4.6424 7.7047 122.0142 54.3120 44.8649 174.6332 44 T 3.7776 8.6030 120.8070 61.6814 71.6669 171.5452 45 T 4.7318 7.7403 111.7020 59.5678 71.7756 175.0861 46 N 4.3297 8.5749 119.5326 56.7456 39.0561 176.6527 47 N 4.0872 7.8540 117.6588 56.0978 38.5535 177.4689 48 R 3.8783 7.9791 119.5630 59.4357 30.1805 178.9887 49 M 4.1720 7.9244 118.4116 58.3996 31.6826 178.7125 50 E 4.1259 7.8684 117.7272 59.0857 29.6526 178.7824 51 L 4.0810 7.8843 120.1248 57.9679 42.2396 178.6818 52 L 3.8629 8.3780 120.3993 57.7219 41.8760 178.7814 53 A 3.7257 7.7624 120.6524 54.6169 18.4257 177.8207 54 P 4.2659 0.0000 0.0000 66.0358 31.2861 178.6665 55 I 3.6900 7.4166 118.1644 64.1935 36.8496 178.4146 56 V 3.5283 7.8571 117.7597 66.0164 31.0520 177.5467 57 A 4.1458 7.9734 120.4074 55.1395 18.2786 179.6871 58 L 3.8834 8.0666 117.5153 57.9366 41.5614 179.4613 59 E 4.1068 8.5449 117.0588 58.4595 29.4262 178.3126 60 A 4.3097 7.4021 118.5638 52.1558 19.4793 177.6162 61 L 4.1417 7.1579 117.3348 54.6970 42.2161 177.2486 62 K 4.4301 8.3297 119.5054 56.4947 32.8855 175.5656 63 E 4.6808 7.5510 117.1511 54.0890 33.5101 172.6400 64 P 4.4417 0.0000 0.0000 63.7375 32.0551 175.4239 65 C 4.8044 8.6135 118.0527 58.2229 33.6321 172.7191 66 K 4.5859 8.8744 122.7522 55.7886 33.0422 175.3014 67 I 4.7378 8.6423 129.3285 59.5404 39.9627 174.9639 68 I 4.4430 8.1697 128.1674 59.8434 38.4463 174.3935 69 L 4.6333 8.3069 130.5994 53.2017 44.5119 175.1160 70 T 4.9299 8.6394 123.2848 61.7909 71.5472 173.2184 71 S 5.0490 8.8569 119.3030 56.8697 66.5002 173.5138 72 D 4.8747 9.0238 122.7724 54.1313 41.3994 176.0776 73 S 4.7884 8.0049 113.6769 57.0513 63.8059 174.6093 74 Q 3.9135 8.8205 129.1105 58.9099 28.3815 178.2354 75 Y 4.5030 8.1575 120.3864 61.0166 39.0503 178.0578 76 V 3.8605 8.5552 119.6243 65.9146 31.6410 177.8793 77 R 2.0000 7.9314 118.7935 58.9050 29.7005 178.6357 78 Q 3.2741 7.2552 117.5260 58.0009 28.2491 178.8582 79 G 2.7958 6.9987 106.5077 47.4565 0.0000 175.8762 80 I 3.4906 6.9153 121.2060 64.3306 37.1895 178.3229 81 M 4.0438 7.6281 118.2708 57.7502 31.5933 176.4266 82 T 4.1065 7.6569 111.9671 62.2962 70.0395 175.3591 83 W 3.4481 6.7543 120.3008 59.6088 28.8058 178.0487 84 I 3.5485 6.8853 119.3997 64.8260 36.7083 177.4273 85 H 3.9189 8.1165 118.0692 59.5807 29.1787 176.6533 86 G 3.6875 7.3833 106.3015 48.1434 0.0000 175.4155 87 W 4.2112 8.1781 121.8107 58.7179 29.2159 178.6207 88 K 2.8082 7.8528 120.0231 58.8955 31.4662 178.3273 89 K 4.2662 7.3758 115.0136 57.6596 32.3315 176.5403 90 N 4.7432 7.3640 117.6407 53.0642 39.0554 174.6311 91 G 3.8072 8.3339 102.2047 45.8567 0.0000 174.1066 92 W 3.4695 8.0295 116.3850 57.9240 26.9540 173.9385 93 M 5.0452 7.4871 115.8301 53.7066 34.1047 176.8715 94 T 4.4657 8.6851 113.1059 60.3926 71.0488 175.2748 95 S 4.1475 8.6525 114.9227 61.4550 62.8160 174.6320 96 N 4.6203 8.1088 117.5980 52.7546 38.3608 176.8149 97 G 4.0103 8.1948 108.0401 45.7335 0.0000 174.8073 98 T 3.9053 7.2882 117.2643 63.1399 68.9987 171.6901 99 P 5.2455 0.0000 0.0000 62.0591 32.4159 176.2071 100 V 3.2818 8.4231 121.6172 63.2756 32.3230 174.8454 101 K 3.9852 8.5164 129.0399 57.8634 32.6171 176.0096 102 N 4.6100 9.0533 123.4088 54.3142 36.0942 176.1495 103 V 3.6252 7.9719 121.9307 65.2589 30.6394 177.5525 104 D 4.2795 8.1452 119.2192 56.5306 38.7961 178.9204 105 L 3.9757 7.6739 119.7357 56.9331 41.7481 179.2829 106 W 4.3279 8.0480 118.9358 59.6628 29.1208 178.8035 107 K 3.7580 8.0132 118.6355 59.0569 31.2587 179.6470 108 R 3.9046 7.5468 117.2634 59.0227 29.9068 178.7627 109 L 4.0394 7.9242 120.0528 58.3825 41.9714 178.3301 110 D 4.5719 8.5319 116.9526 57.3860 40.8689 178.1188 111 K 4.1277 8.1493 119.3632 59.6591 32.0344 178.7040 112 A 4.0930 8.4215 121.0820 55.2154 18.1379 179.4817 113 A 4.1227 8.5352 119.7870 55.3575 18.2912 179.6826 114 Q 4.1064 7.7695 114.8002 58.6572 28.8361 178.3972 115 L 4.2709 7.4669 117.8786 55.1267 42.2731 176.0493 116 H 5.0136 7.2051 114.6345 53.8324 32.9871 173.9710 117 Q 4.2653 8.6463 122.7586 55.5604 28.6758 173.3992 118 I 4.4650 8.0075 125.4958 59.5263 38.9071 174.3826 119 D 4.7550 8.8724 127.4384 52.2470 43.0826 174.8342 120 W 4.4461 8.6975 126.7213 55.7829 30.2799 175.9799 121 R 4.3209 8.7169 124.8191 54.1454 31.8825 175.2151 122 W 5.4498 8.5651 123.7524 55.3220 30.7190 175.9926 123 V 4.3789 8.9266 119.0887 60.1386 32.3573 176.8726 124 K 4.0197 8.7851 122.1968 59.0870 32.9342 178.1956 *128 G 3.8253 7.6660 106.4563 45.6207 0.0000 172.0020 129 H 4.6406 7.7065 112.2913 54.9318 32.4234 173.3822 130 A 3.9446 8.5448 120.0271 52.7599 16.6917 178.1756 131 E 4.3693 7.4883 112.7619 56.2684 32.4559 178.0355 132 N 4.4664 8.0799 116.0746 56.0324 38.6849 176.8092 133 E 3.9423 8.1331 120.2845 59.4257 29.9310 178.3738 134 R 3.9006 8.1224 118.1573 60.0272 29.8383 177.9746 135 C 4.2105 8.0836 116.2466 63.0788 28.1279 175.5272 136 H 5.0491 8.3327 121.1907 58.8026 29.3929 177.2802 137 Q 3.9316 8.1877 119.9374 58.9701 28.4651 178.8217 138 L 3.9183 7.8115 119.3666 57.7152 41.6024 179.5707 139 A 3.9884 8.3478 120.9400 55.2901 18.4961 179.8500 140 R 3.7897 8.0269 116.4373 59.3935 29.8898 179.2177 141 A 3.9594 7.7791 119.2567 55.0164 18.7728 179.2916 142 A 3.9758 7.8074 119.0505 55.1772 18.2783 179.7660 143 A 4.0868 8.0606 118.3463 54.6457 18.5155 178.6984 144 E 4.3784 7.7320 114.0811 56.3270 30.1680 175.9049 145 A 4.4032 7.6007 121.5415 53.3502 19.7471 177.5595 146 N 4.1030 8.2095 112.6010 55.2581 35.8759 172.8045 147 P 4.4259 0.0000 0.0000 62.8079 32.7147 177.1377 148 T 4.3922 8.1277 109.3751 62.1292 71.0187 174.4827 149 Q 3.8085 7.8652 121.9260 56.3648 29.4241 175.7944 150 I 4.4024 8.1936 125.3539 60.4270 38.4832 175.5635 151 D 4.5718 8.7702 124.8409 53.8230 40.0386 176.5294 152 T 3.9757 8.5175 117.9022 64.3530 69.1005 176.2213 153 G 3.9883 7.8889 107.9449 45.9911 0.0000 172.6576 154 Y 4.1925 7.6135 125.6104 57.7593 38.7444 174.7361 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 3 E 8.44 4.33 0.00 1.99 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 2.22 2.35 0.00 4 L 8.32 4.12 0.00 1.63 1.55 0.92 0.67 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 5 K 8.73 4.17 0.00 1.60 1.58 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.32 1.44 7.81 6 L 8.62 4.81 0.00 1.65 1.64 0.86 0.95 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 7 I 8.52 4.87 1.79 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 1.25 0.88 0.89 0.00 0.00 8 H 9.15 5.17 0.00 3.19 3.08 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.22 4.87 1.64 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 1.18 0.53 0.85 0.00 0.00 10 F 9.39 5.50 0.00 2.86 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 11 T 8.83 5.27 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 1.27 0.00 0.00 12 D 9.56 4.94 0.00 2.87 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 G 8.71 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.81 4.79 0.00 3.96 3.69 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 15 C 8.69 4.59 0.00 2.90 2.76 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 16 L 8.62 4.33 0.00 1.75 1.68 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 G 10.40 3.80 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 0.00 0.00 0.00 18 N 7.74 4.81 0.00 2.86 2.67 0.00 0.00 7.26 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 19 P 0.00 4.59 0.00 2.17 2.00 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 20 G 7.39 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 21 P 0.00 4.83 0.00 2.09 2.14 0.00 3.38 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 22 G 8.79 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.70 4.55 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 24 Y 8.28 5.53 0.00 3.16 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 25 G 9.47 4.47 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 26 I 8.50 5.37 2.00 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 1.22 1.11 0.99 0.00 0.00 27 V 8.79 4.99 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 1.04 0.00 0.00 0.99 0.00 0.00 28 M 9.17 5.34 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 29 K 9.34 5.25 0.00 1.84 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 30 Y 9.20 5.12 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 31 K 8.88 3.46 0.00 1.68 0.74 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.62 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.54 7.81 32 G 8.50 3.60 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 33 H 8.57 4.81 0.00 3.34 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.33 5.40 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 1.26 0.00 0.00 35 K 9.13 4.85 0.00 1.80 1.89 0.00 1.27 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 36 E 8.59 5.79 0.00 1.82 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 2.21 2.16 0.00 37 M 8.53 5.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 38 S 7.38 4.54 0.00 3.68 3.69 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 39 G 6.99 3.59 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 40 G 8.24 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.55 5.28 0.00 2.80 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 42 S 9.13 4.26 0.00 3.93 4.32 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 43 L 7.70 4.64 0.00 1.66 1.57 1.19 0.75 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 44 T 8.60 3.78 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 1.19 0.00 0.00 45 T 7.74 4.73 4.14 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 1.12 0.00 0.00 46 N 8.57 4.33 0.00 3.01 2.81 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 47 N 7.85 4.09 0.00 2.39 1.61 0.00 0.00 7.18 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 48 R 7.98 3.88 0.00 1.71 1.81 0.00 3.38 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 49 M 7.92 4.17 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 50 E 7.87 4.13 0.00 2.21 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 0.00 2.44 2.71 0.00 51 L 7.88 4.08 0.00 2.00 1.63 -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.38 3.86 0.00 1.75 1.41 0.77 1.01 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 53 A 7.76 3.73 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 54 P 0.00 4.27 0.00 2.52 2.55 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 55 I 7.42 3.69 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.87 0.00 0.00 56 V 7.86 3.53 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 0.87 0.00 0.00 0.74 0.00 0.00 57 A 7.97 4.15 1.37 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 58 L 8.07 3.88 0.00 1.72 1.72 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.54 4.11 0.00 1.94 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 0.00 2.36 2.48 0.00 60 A 7.40 4.31 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 61 L 7.16 4.14 0.00 1.79 1.60 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.33 4.43 0.00 1.70 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.42 7.81 63 E 7.55 4.68 0.00 1.87 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 2.19 2.32 0.00 64 P 0.00 4.44 0.00 2.04 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 1.96 1.97 0.00 65 C 8.61 4.80 0.00 2.79 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 66 K 8.87 4.59 0.00 1.84 1.78 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.37 7.81 67 I 8.64 4.74 1.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.34 0.59 0.00 0.00 68 I 8.17 4.44 1.60 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 0.96 0.48 0.75 0.00 0.00 69 L 8.31 4.63 0.00 0.86 0.44 0.25 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.64 4.93 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 1.34 0.00 0.00 71 S 8.86 5.05 0.00 4.13 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 D 9.02 4.87 0.00 2.78 2.76 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 73 S 8.00 4.79 0.00 4.08 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 74 Q 8.82 3.91 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 75 Y 8.16 4.50 0.00 3.19 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 76 V 8.56 3.86 2.33 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 1.20 0.00 0.00 1.14 0.00 0.00 77 R 7.93 2.00 0.00 0.67 1.43 0.00 2.61 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 78 Q 7.26 3.27 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 79 G 7.00 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 0.00 0.00 0.00 80 I 6.92 3.49 1.47 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 -0.33 0.23 0.00 0.00 81 M 7.63 4.04 0.00 1.69 1.68 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 82 T 7.66 4.11 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 0.65 0.00 0.00 83 W 6.75 3.45 0.00 1.78 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 84 I 6.89 3.55 1.89 0.00 0.00 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 1.88 0.42 1.03 0.00 0.00 85 H 8.12 3.92 0.00 3.12 3.16 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.38 3.69 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 87 W 8.18 4.21 0.00 2.86 2.43 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 88 K 7.85 2.81 0.00 1.65 1.57 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.48 1.54 7.81 89 K 7.38 4.27 0.00 1.88 1.71 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.33 7.81 90 N 7.36 4.74 0.00 2.79 2.74 0.00 0.00 7.01 8.11 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 91 G 8.33 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 92 W 8.03 3.47 0.00 3.58 3.30 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 93 M 7.49 5.05 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 94 T 8.69 4.47 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 1.10 0.00 0.00 95 S 8.65 4.15 0.00 3.99 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 96 N 8.11 4.62 0.00 2.72 2.85 0.00 0.00 6.84 7.65 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 97 G 8.19 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.29 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 99 P 0.00 5.25 0.00 2.04 2.06 0.00 3.37 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 100 V 8.42 3.28 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 0.05 0.00 0.00 -0.07 0.00 0.00 101 K 8.52 3.99 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.58 7.81 102 N 9.05 4.61 0.00 3.24 2.95 0.00 0.00 6.83 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 0.00 103 V 7.97 3.63 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 0.78 0.00 0.00 0.78 0.00 0.00 104 D 8.15 4.28 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.67 3.98 0.00 1.56 1.47 0.76 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.05 4.33 0.00 3.44 3.63 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 0.00 107 K 8.01 3.76 0.00 1.55 1.57 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.53 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.94 0.21 7.81 108 R 7.55 3.90 0.00 1.97 2.13 0.00 3.08 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 109 L 7.92 4.04 0.00 1.85 1.99 1.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.53 4.57 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.15 4.13 0.00 2.22 1.94 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 112 A 8.42 4.09 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 0.00 113 A 8.54 4.12 1.65 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 0.00 0.00 114 Q 7.77 4.11 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 115 L 7.47 4.27 0.00 1.26 1.49 0.91 0.88 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 0.00 116 H 7.21 5.01 0.00 2.90 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.65 4.27 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 118 I 8.01 4.46 1.77 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 0.97 0.64 -0.33 0.00 0.00 119 D 8.87 4.76 0.00 2.55 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 0.00 120 W 8.70 4.45 0.00 2.90 1.86 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 0.00 121 R 8.72 4.32 0.00 1.50 1.75 0.00 3.20 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 122 W 8.57 5.45 0.00 3.21 3.11 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 0.00 123 V 8.93 4.38 2.22 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 0.86 0.00 0.00 1.13 0.00 0.00 124 K 8.79 4.02 0.00 1.79 1.91 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.42 7.81 *128 G 7.67 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 0.00 129 H 7.71 4.64 0.00 3.13 3.38 0.00 5.76 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 0.00 130 A 8.54 3.94 1.37 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 0.00 131 E 7.49 4.37 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 1.55 1.95 0.00 132 N 8.08 4.47 0.00 2.92 2.97 0.00 0.00 6.80 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 0.00 133 E 8.13 3.94 0.00 2.09 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 2.39 2.45 0.00 134 R 8.12 3.90 0.00 1.91 2.08 0.00 3.39 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 135 C 8.08 4.21 0.00 3.36 3.06 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 0.00 136 H 8.33 5.05 0.00 3.46 3.50 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.19 3.93 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 138 L 7.81 3.92 0.00 1.92 1.68 0.97 0.71 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 0.00 139 A 8.35 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.03 3.79 0.00 1.82 1.93 0.00 3.32 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 141 A 7.78 3.96 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 0.00 142 A 7.81 3.98 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 0.00 143 A 8.06 4.09 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 0.00 144 E 7.73 4.38 0.00 2.11 1.98 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 2.27 2.29 0.00 145 A 7.60 4.40 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 0.00 146 N 8.21 4.10 0.00 2.78 2.79 0.00 0.00 7.17 8.02 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 0.00 147 P 0.00 4.43 0.00 2.02 1.96 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 148 T 8.13 4.39 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 1.20 0.00 0.00 149 Q 7.87 3.81 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 150 I 8.19 4.40 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 1.00 0.00 0.00 151 D 8.77 4.57 0.00 2.42 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.52 3.98 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 1.26 0.00 0.00 153 G 7.89 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 0.00 154 Y 7.61 4.19 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.