NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7050 8.3129 109.7089 45.4885 0.0000 175.8756 *2 D 4.7417 8.5823 120.7726 52.7634 43.0403 180.3203 3 V 3.5344 7.3213 117.0429 65.7540 31.5212 176.6170 4 F 5.0562 7.6984 115.8793 57.9430 39.7353 177.6751 5 S 4.1970 8.1617 118.2891 61.6841 62.6871 176.0407 6 E 3.9777 8.2394 121.4674 59.3908 28.9134 177.9812 7 Y 4.0710 8.1325 119.0798 60.7984 39.0209 177.9460 8 L 4.0192 8.4701 119.8393 57.7170 41.5025 179.2668 9 A 4.1157 8.2597 120.3753 55.0441 18.4150 179.4082 10 G 3.7946 7.6593 101.5264 45.3170 0.0000 173.7264 11 I 3.8646 7.0529 122.4551 60.3541 37.1393 175.8058 12 A 3.9578 8.5410 129.3804 54.9777 18.6972 177.7359 13 D 4.3184 7.7242 116.3770 53.4919 42.0310 175.1083 14 P 4.2972 0.0000 0.0000 65.4523 31.4458 178.4997 15 F 4.1031 8.1719 119.2613 61.3705 39.4102 176.7919 16 H 3.2259 8.2299 115.8869 58.4675 28.2812 177.5983 17 R 3.7912 8.0857 120.7986 59.3614 29.8465 178.0408 18 E 3.8343 8.1219 119.0506 59.3101 29.5595 178.7991 19 R 3.7706 7.5404 118.5714 59.6385 30.1769 178.5276 20 T 3.8869 8.0268 115.5401 66.6385 68.4010 176.0887 21 E 3.9568 8.5243 121.5689 59.2691 29.5574 178.3839 22 E 3.9768 8.2698 119.2988 59.3610 29.6977 179.0022 23 V 3.8296 8.0810 118.3226 66.1226 31.5842 177.9953 24 L 4.1357 7.8262 118.5931 58.2378 41.4264 179.7157 25 T 4.0402 8.4345 116.0231 66.2719 68.3913 176.4440 26 W 4.2240 8.7353 130.7384 60.6823 30.6444 178.1391 27 I 3.2288 8.0249 119.5843 64.0158 36.3524 178.0461 28 K 3.9787 8.2517 120.5793 60.0164 31.7501 178.3665 29 N 4.3602 8.0635 115.1460 55.6788 38.6418 177.0659 30 K 3.7013 7.5116 120.3206 57.6067 33.6545 176.5939 31 Y 4.6664 7.6448 116.3167 55.6271 37.7650 174.5719 32 P 4.7829 0.0000 0.0000 64.3639 32.1522 177.8439 33 N 4.5408 8.0234 116.2851 55.0198 39.3580 174.8802 34 L 4.3919 7.8168 118.0144 55.4397 42.6457 175.9220 35 H 4.9466 9.4027 123.2585 55.1246 31.5878 174.0025 36 T 4.1271 8.1661 116.1731 61.1393 69.7083 173.8560 37 E 4.6000 8.3357 123.3276 54.7349 34.5408 173.9368 38 I 4.6299 8.2738 123.5824 59.7110 38.8983 175.2162 39 K 4.1946 8.6700 127.8208 55.3891 34.8983 175.9497 40 W 3.8320 8.8389 124.3205 58.1128 26.6194 173.7706 41 N 4.4000 8.5700 110.4733 54.3611 36.0320 174.1144 42 Q 4.5324 8.0050 115.9073 53.1968 32.0269 173.7764 43 P 5.0991 0.0000 0.0000 61.9902 33.2250 174.9410 *45 F 5.0854 8.3949 118.2104 57.7063 40.7031 174.2803 46 T 5.0376 8.8118 111.8328 59.9683 72.7528 172.4929 47 D 4.7985 8.6139 121.2934 54.0255 43.9954 175.0991 48 H 4.1595 10.0342 122.4960 56.6145 27.4746 175.6658 49 G 3.9394 8.3540 105.7734 46.9142 0.0000 173.6928 50 T 4.2834 7.5308 115.0324 59.5031 69.0046 173.5815 51 F 3.7877 7.7478 130.5188 58.4655 39.8593 174.0335 52 I 4.0468 7.3948 127.9829 62.2877 38.5475 175.8488 53 I 4.1087 6.3343 117.6479 59.9030 40.6949 173.1442 54 G 4.6098 8.6927 114.3198 44.9100 0.0000 171.0900 55 F 5.6837 8.9806 117.9478 55.9603 43.2796 174.4454 56 S 5.0634 9.0606 114.4816 57.3672 66.7897 173.0315 57 V 5.2497 8.7534 113.8811 59.8126 34.0444 175.1126 58 S 4.8820 9.3561 120.8280 56.4260 66.0552 175.7141 59 K 4.1321 8.8459 121.2068 57.2051 31.4454 175.7735 60 K 4.7305 7.6438 114.3868 57.1435 33.3086 175.2664 61 H 4.1944 8.0414 113.4140 54.1815 32.5056 172.0827 62 L 4.7305 7.5452 121.3446 53.6053 43.5542 174.8238 63 A 4.9704 9.3413 128.8269 50.6198 21.1394 175.7722 64 V 4.4832 8.7392 121.9420 60.7792 34.8400 174.0876 65 A 5.1499 8.9955 129.6125 48.7622 21.0782 173.9093 66 P 4.7826 0.0000 0.0000 62.8614 32.5028 175.3583 67 E 4.1938 8.7274 120.1117 57.5667 28.9918 176.1198 68 K 4.7724 8.8668 127.0457 59.6918 31.8211 180.8513 69 V 3.9415 7.8980 120.1733 64.8763 31.2868 178.3433 70 T 4.0645 7.8773 115.8693 66.0380 68.3285 176.6395 71 I 3.6189 7.5828 120.9208 64.4347 37.3666 177.8018 72 A 4.1049 8.0023 121.2528 55.5355 18.0027 178.9383 73 H 3.8738 7.9716 115.3250 58.5870 29.9778 176.4652 74 V 4.2547 7.2781 112.3711 60.9583 32.3634 177.6045 75 E 3.6103 7.9177 123.4193 59.5001 29.4288 177.9989 76 D 4.3233 8.0141 118.3776 57.7118 40.8694 178.5792 77 D 4.3311 7.9094 118.6831 57.1524 40.8720 178.7502 78 I 3.6323 7.4791 120.4325 64.3997 36.8781 178.5970 79 V 3.6353 7.5050 117.7184 65.8890 31.3653 177.6623 80 K 4.0225 7.7730 118.3270 59.3236 32.1528 178.4958 81 A 3.8924 7.7163 119.9142 53.1298 18.2997 178.5325 82 G 3.8399 7.6352 104.9390 45.1230 0.0000 173.4314 83 Y 4.5534 7.1811 117.2529 57.8711 38.6997 175.6814 84 D 4.8000 8.9055 123.6387 54.8096 42.1553 174.8532 85 Y 5.3757 8.1811 119.4802 56.2380 41.4687 173.9522 86 T 4.7092 8.3068 110.3796 59.8509 71.6687 173.1437 87 E 4.1080 8.7648 120.0615 58.9603 29.5402 178.8654 88 Q 4.4529 8.2180 116.9619 56.1606 30.7289 174.7460 89 L 4.8313 7.4903 116.3629 54.5647 44.1293 174.4003 90 I 4.8778 8.6753 113.3022 59.2582 40.5850 174.6790 91 R 4.5475 8.5722 123.3292 54.6551 32.0034 175.8607 92 I 3.7810 8.0840 126.7149 58.6032 38.2412 173.7372 93 P 4.8487 0.0000 0.0000 61.6149 31.9076 178.2141 94 W 4.4689 8.6348 122.8098 59.4087 29.2657 176.7039 95 N 4.8892 8.3593 114.3179 52.2669 36.9257 174.1478 96 G 4.2654 7.7233 107.3696 43.6713 0.0000 170.8888 97 P 4.5558 0.0000 0.0000 61.9818 32.1696 175.9503 98 V 3.7255 8.0587 119.3475 62.2842 32.0498 176.4236 99 D 4.5984 8.7636 127.5563 53.5842 40.1028 176.0034 100 Y 3.7073 8.1227 124.3313 60.4836 38.0490 177.8278 101 T 3.9824 8.0473 116.6208 66.5045 68.3974 176.1152 102 L 3.9999 8.0920 120.9942 58.1976 42.2299 178.6003 103 L 4.2437 7.6731 117.4718 57.8620 41.7966 178.9949 104 E 4.6088 8.7185 119.9260 58.9007 29.4639 180.2253 105 K 4.1204 8.0092 114.3185 57.5754 31.8442 178.7379 *107 I 3.9159 7.6455 121.9019 61.4758 38.9841 178.0005 108 E 3.9031 8.3912 120.0262 59.0683 29.1552 179.2243 109 F 4.1510 8.4348 120.8931 61.4673 39.5120 177.0152 110 N 4.1558 8.0950 115.5899 56.1231 38.1306 177.2375 111 I 3.5745 7.5631 120.6104 64.1943 37.4350 178.0381 112 L 3.9993 7.5069 120.6422 58.3098 41.8507 178.5518 113 D 4.1984 7.9395 116.5904 56.0844 41.2125 177.2216 114 K 4.4355 7.6827 117.4947 55.9282 32.2279 177.7951 115 A 3.9539 7.5765 125.0352 54.8969 18.2905 178.8390 116 D 4.6710 7.7610 111.4201 53.8326 41.6702 175.4482 117 C 4.2661 7.9319 119.5899 60.0222 31.7318 173.3164 118 S 4.6118 8.7052 120.7371 58.3494 63.5475 173.3661 119 T 4.7373 7.3817 110.2494 59.4485 71.6783 174.0699 120 F 4.0911 8.8798 123.2560 60.8464 39.5592 174.9507 121 W 5.2916 7.8838 118.5114 54.8199 30.6450 176.4905 122 R 4.0633 9.2646 123.1178 57.3508 30.1455 178.0357 123 K 4.2866 8.5961 121.6076 54.7786 31.9380 175.4789 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 0 G 8.31 3.71 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 0.00 0.00 0.00 *2 D 8.58 4.74 0.00 2.64 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 3 V 7.32 3.53 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 0.59 0.00 0.00 0.69 0.00 0.00 4 F 7.70 5.06 0.00 3.17 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 5 S 8.16 4.20 0.00 3.89 3.96 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 6 E 8.24 3.98 0.00 2.08 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 0.00 2.43 2.40 0.00 7 Y 8.13 4.07 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.47 4.02 0.00 1.96 1.75 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.26 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.66 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 0.00 0.00 0.00 11 I 7.05 3.86 1.86 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 1.02 0.39 0.81 0.00 0.00 12 A 8.54 3.96 1.21 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 0.00 0.00 0.00 13 D 7.72 4.32 0.00 2.40 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 0.00 0.00 0.00 0.00 14 P 0.00 4.30 0.00 2.20 2.06 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 15 F 8.17 4.10 0.00 3.11 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 16 H 8.23 3.23 0.00 2.82 2.02 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.09 3.79 0.00 1.82 2.00 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 18 E 8.12 3.83 0.00 2.20 1.84 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 2.31 2.19 0.00 19 R 7.54 3.77 0.00 1.47 1.83 0.00 3.53 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 20 T 8.03 3.89 4.44 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 1.34 0.00 0.00 21 E 8.52 3.96 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 22 E 8.27 3.98 0.00 2.19 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 0.00 2.43 2.40 0.00 23 V 8.08 3.83 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 0.79 0.00 0.00 0.87 0.00 0.00 24 L 7.83 4.14 0.00 1.97 1.86 0.45 0.28 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 25 T 8.43 4.04 4.49 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 1.30 0.00 0.00 26 W 8.74 4.22 0.00 3.43 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.02 3.23 1.49 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 1.49 1.09 -0.04 0.00 0.00 28 K 8.25 3.98 0.00 2.25 2.16 0.00 1.74 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 29 N 8.06 4.36 0.00 2.71 2.77 0.00 0.00 7.05 7.19 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 30 K 7.51 3.70 0.00 0.87 0.74 0.00 1.42 0.00 0.00 0.85 0.00 0.00 3.32 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.79 7.81 31 Y 7.64 4.67 0.00 2.85 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 32 P 0.00 4.78 0.00 2.16 2.15 0.00 3.30 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 33 N 8.02 4.54 0.00 2.70 2.90 0.00 0.00 7.04 7.78 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 34 L 7.82 4.39 0.00 1.85 1.82 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.40 4.95 0.00 3.15 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.13 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 0.95 0.00 0.00 37 E 8.34 4.60 0.00 1.87 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 2.18 2.17 0.00 38 I 8.27 4.63 1.88 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 1.35 0.98 0.95 0.00 0.00 39 K 8.67 4.19 0.00 1.58 1.45 0.00 1.32 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.70 7.81 40 W 8.84 3.83 0.00 3.74 3.17 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 41 N 8.57 4.40 0.00 3.02 3.07 0.00 0.00 6.93 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 42 Q 8.00 4.53 0.00 2.44 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 43 P 0.00 5.10 0.00 1.20 1.22 0.00 3.57 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.07 0.00 *45 F 8.39 5.09 0.00 3.01 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 46 T 8.81 5.04 4.30 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 1.34 0.00 0.00 47 D 8.61 4.80 0.00 2.60 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 0.00 0.00 0.00 48 H 10.03 4.16 0.00 3.34 3.39 0.00 5.83 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 49 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.53 4.28 4.16 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 1.03 0.00 0.00 51 F 7.75 3.79 0.00 1.51 2.40 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 52 I 7.39 4.05 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.86 0.66 0.00 0.00 53 I 6.33 4.11 1.67 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 0.78 0.44 0.97 0.00 0.00 54 G 8.69 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.98 5.68 0.00 2.86 2.95 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 56 S 9.06 5.06 0.00 4.04 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 57 V 8.75 5.25 2.51 0.00 0.00 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 1.05 0.00 0.00 58 S 9.36 4.88 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.85 4.13 0.00 1.80 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.04 7.81 60 K 7.64 4.73 0.00 1.92 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 61 H 8.04 4.19 0.00 2.96 3.18 0.00 5.25 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.55 4.73 0.00 0.93 1.05 1.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.34 4.97 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 64 V 8.74 4.48 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 0.84 0.00 0.00 0.96 0.00 0.00 65 A 9.00 5.15 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 66 P 0.00 4.78 0.00 2.13 2.14 0.00 4.03 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 1.93 1.97 0.00 67 E 8.73 4.19 0.00 2.42 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 2.48 2.73 0.00 68 K 8.87 4.77 0.00 1.76 1.82 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 0.93 7.81 69 V 7.90 3.94 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 1.02 0.00 0.00 1.04 0.00 0.00 70 T 7.88 4.06 4.62 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 1.37 0.00 0.00 71 I 7.58 3.62 2.05 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 1.63 0.93 0.95 0.00 0.00 72 A 8.00 4.10 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 73 H 7.97 3.87 0.00 2.77 3.12 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.28 4.25 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 0.61 0.00 0.00 0.94 0.00 0.00 75 E 7.92 3.61 0.00 2.11 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 2.24 2.06 0.00 76 D 8.01 4.32 0.00 2.65 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 77 D 7.91 4.33 0.00 2.80 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 78 I 7.48 3.63 1.46 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.73 0.00 0.00 79 V 7.51 3.64 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 0.81 0.00 0.00 1.08 0.00 0.00 80 K 7.77 4.02 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 81 A 7.72 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.64 3.84 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 0.00 0.00 0.00 83 Y 7.18 4.55 0.00 2.89 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 84 D 8.91 4.80 0.00 2.61 2.57 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 0.00 85 Y 8.18 5.38 0.00 3.05 2.83 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 86 T 8.31 4.71 4.19 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 1.16 0.00 0.00 87 E 8.76 4.11 0.00 2.00 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 2.36 2.34 0.00 88 Q 8.22 4.45 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.37 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 89 L 7.49 4.83 0.00 1.82 1.69 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.68 4.88 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.88 0.00 0.00 91 R 8.57 4.55 0.00 1.67 1.57 0.00 3.04 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.36 0.00 92 I 8.08 3.78 1.54 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.75 0.00 0.00 93 P 0.00 4.85 0.00 2.19 2.00 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 94 W 8.63 4.47 0.00 3.38 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.36 4.89 0.00 2.86 2.98 0.00 0.00 5.73 7.00 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 0.00 97 P 0.00 4.56 0.00 2.23 2.12 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 98 V 8.06 3.73 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 -0.26 0.00 0.00 0.79 0.00 0.00 99 D 8.76 4.60 0.00 2.79 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 0.00 100 Y 8.12 3.71 0.00 2.78 2.40 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 0.00 101 T 8.05 3.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 102 L 8.09 4.00 0.00 1.83 1.95 0.92 0.96 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 0.00 103 L 7.67 4.24 0.00 2.09 2.09 0.82 0.98 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 0.00 104 E 8.72 4.61 0.00 2.46 2.26 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 2.87 3.12 0.00 105 K 8.01 4.12 0.00 2.06 1.88 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.71 7.81 *107 I 7.65 3.92 1.48 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 1.17 0.69 -0.11 0.00 0.00 108 E 8.39 3.90 0.00 2.17 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 2.49 2.47 0.00 109 F 8.43 4.15 0.00 3.15 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 0.00 110 N 8.10 4.16 0.00 2.79 2.73 0.00 0.00 7.08 7.43 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 0.00 111 I 7.56 3.57 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.87 0.00 0.00 112 L 7.51 4.00 0.00 1.67 1.74 0.89 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.94 4.20 0.00 1.58 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 0.00 0.00 0.00 114 K 7.68 4.44 0.00 1.88 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.38 7.81 115 A 7.58 3.95 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 0.00 116 D 7.76 4.67 0.00 2.58 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 0.00 117 C 7.93 4.27 0.00 3.00 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 0.00 118 S 8.71 4.61 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.38 4.74 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 1.28 0.00 0.00 120 F 8.88 4.09 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.88 5.29 0.00 3.37 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 0.00 122 R 9.26 4.06 0.00 1.88 1.94 0.00 3.24 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 123 K 8.60 4.29 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.