NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3104 8.2649 123.5856 52.0389 19.5251 176.7101 3 R 4.2523 7.7761 120.5695 55.4362 32.0873 174.7645 4 I 4.3986 8.2989 125.5116 60.3595 36.2317 176.6976 5 A 3.8561 7.8888 129.4606 55.9051 18.2267 181.0258 6 G 4.0409 7.6458 102.6017 42.8313 0.0000 175.1644 7 V 3.7910 8.2855 115.4240 63.7040 31.0853 175.4285 8 E 4.5004 9.0416 119.6752 55.0438 30.4357 175.7372 9 I 4.8894 8.0538 122.8760 58.9956 39.9694 173.0735 10 P 4.2770 0.0000 0.0000 63.8178 31.7697 178.0601 11 R 4.0453 7.7715 114.6800 55.3056 30.0468 176.9545 12 N 3.8772 7.1952 117.1254 54.3939 37.3277 172.5685 13 K 4.6514 8.5279 116.4934 53.7040 37.3236 176.4464 14 R 4.2273 8.3130 118.5729 56.9523 31.4613 178.3309 15 V 3.8874 7.9093 114.5354 63.2982 31.6667 178.3017 16 D 4.4764 8.0923 117.3845 54.9431 39.5704 177.2710 17 V 3.9704 7.3756 118.6526 64.8015 32.7994 176.8063 18 A 3.5670 7.4373 120.3596 55.4653 18.1446 179.4141 19 L 3.9250 7.5962 116.3920 58.4127 41.4389 179.8025 20 T 4.4891 7.6317 116.2734 66.1275 68.4291 175.0714 21 Y 4.4876 7.7411 113.3333 58.9296 37.5979 175.5388 22 I 4.8112 7.8629 122.3386 58.4343 38.6065 174.1684 23 Y 4.1158 8.8386 127.3145 60.8119 38.5054 175.7856 24 G 3.7764 8.3108 116.5229 45.2896 0.0000 172.9551 25 I 4.0231 8.7559 123.2782 59.2787 38.9820 175.3152 26 G 4.4606 7.8780 114.0888 43.1681 0.0000 173.1990 27 K 4.0407 8.4083 118.0190 58.8750 31.9356 177.6604 28 A 4.2065 7.8429 121.0778 54.5990 18.8530 179.0039 29 R 4.0850 7.8625 114.6112 59.2269 30.0239 178.7787 30 A 4.0215 8.0618 120.4011 55.5291 17.9694 179.9533 31 K 4.1166 7.7717 115.9119 59.0904 32.1795 179.3876 32 E 4.1095 8.2749 119.8984 59.0147 29.6831 178.3433 33 A 4.6984 8.9864 120.5774 54.3827 18.4189 179.6062 34 L 4.0347 7.6033 117.1349 57.6300 42.0321 179.0591 35 E 3.9816 7.8385 116.4212 60.1863 29.2416 178.3463 36 K 3.6904 7.9483 117.8194 59.6398 32.0042 178.2547 37 T 3.8977 8.1178 114.7738 62.1420 70.3736 174.2872 38 G 3.9759 7.4973 109.6236 46.7830 0.0000 173.1465 39 I 4.4975 8.0052 116.8506 58.9969 40.3254 175.7397 40 N 4.3004 8.8189 123.6149 53.3807 39.2572 173.2465 41 P 4.1742 0.0000 0.0000 65.8595 31.8488 178.2080 42 A 3.9028 8.2489 119.5392 55.1381 18.2166 178.0532 43 T 3.9502 7.0555 105.2760 62.4608 69.0285 174.4478 44 R 4.3211 8.6332 124.4520 55.8454 31.0485 177.5920 45 V 3.7606 8.2155 122.0795 66.0719 31.5981 177.3855 46 K 4.0699 8.3034 119.7324 58.3045 32.0994 176.3665 47 D 4.7117 8.3690 117.3975 52.7907 41.9442 173.4498 48 L 4.6404 7.9742 121.2623 52.8025 45.9189 176.4908 49 T 3.9129 8.9782 120.4763 64.2561 68.8391 175.0653 50 E 4.0659 8.9076 124.2033 58.6348 29.3156 179.1804 51 A 3.9543 7.8013 121.1460 54.6300 19.1608 178.7511 52 E 3.9080 8.1550 116.0414 60.0887 29.6402 179.2567 53 V 3.5060 8.1367 117.6827 67.0195 31.3199 177.9375 54 V 3.5713 7.7742 117.4037 66.0671 31.3572 178.3851 55 R 3.3479 8.6831 119.2374 59.4783 30.2045 177.6918 56 L 4.2524 8.5001 121.1164 57.6907 42.2458 178.6369 57 R 3.6846 8.2685 115.9551 59.6727 27.6551 178.3413 58 E 4.0841 9.1352 120.0077 59.0058 29.1186 178.4180 59 Y 4.3173 8.5588 119.5905 60.5153 39.5465 176.8596 60 V 3.3990 7.9704 117.7415 66.8773 30.8431 177.4863 61 E 4.0036 8.7331 117.1695 59.6663 29.5282 179.1115 62 N 4.5884 7.4565 111.5084 53.9416 38.9138 176.2247 63 T 4.4447 7.7197 115.2265 61.6554 68.8599 177.7550 64 W 4.3784 7.7931 126.5876 57.2279 28.4081 175.6033 65 K 4.4784 8.5096 119.7612 56.4902 33.7448 176.6085 66 L 4.9219 7.6237 120.2532 54.6111 44.5729 175.3760 67 E 3.3714 8.3707 118.5649 55.9381 31.5055 176.4409 68 G 3.8685 8.2153 109.0566 46.8929 0.0000 174.2498 69 E 4.3170 8.3237 121.3945 52.8678 28.3583 176.0585 70 L 5.0929 7.3759 134.6600 55.2430 43.2320 175.1265 71 R 3.8336 7.4654 117.6602 59.5349 30.0204 178.2876 72 A 3.9706 8.4739 120.3481 55.2201 18.4641 178.9234 73 E 3.7699 8.0906 117.5675 59.6949 29.6686 178.8062 74 V 3.5192 8.5660 118.4173 66.2977 31.4779 177.5038 75 A 3.9480 7.6077 118.2311 55.3962 18.0411 179.0963 76 A 3.9546 8.0451 117.9406 56.0359 18.1115 179.1066 77 N 4.3081 8.6316 114.8791 56.4445 38.6816 177.3181 78 I 3.7895 8.0426 120.7603 64.9290 37.2605 178.5666 79 K 4.0354 8.5305 119.2779 59.1784 31.7960 179.3796 80 R 3.8906 9.2262 119.8858 59.0533 30.0328 177.8407 81 L 4.3235 7.8405 117.1861 55.9924 41.4248 177.6966 82 M 4.5010 7.6199 118.8200 53.5481 33.0514 176.6632 83 D 4.9930 8.2197 125.9282 53.0251 38.8122 178.4331 84 I 3.6467 8.6585 117.7379 63.7489 36.9827 174.6219 85 G 3.8964 8.9653 110.8691 45.5120 0.0000 173.7501 86 C 4.5881 8.3812 122.2948 56.2091 32.8521 173.7469 87 Y 4.1577 8.4430 120.5948 61.1821 38.4814 177.9030 88 R 4.0231 8.3461 118.4710 59.8235 29.9065 178.2827 89 G 4.3269 8.0265 104.4119 47.5235 0.0000 175.0753 90 L 3.4272 9.3491 117.9567 56.7744 41.5574 182.9682 91 R 3.4058 6.5724 116.5440 58.5773 32.2321 178.4111 92 H 4.0403 8.1420 112.6126 59.2795 28.6667 178.1343 93 R 3.8285 8.8184 119.1841 59.2252 29.9230 178.5359 94 R 4.2951 7.4035 115.7058 56.2483 30.6150 177.6378 95 G 3.8721 8.2389 106.6193 44.9948 0.0000 173.3179 96 L 4.4039 7.1971 119.3869 52.2047 43.1971 174.3575 97 P 4.2935 0.0000 0.0000 63.1209 31.7197 176.7312 98 V 3.6833 8.2659 121.6636 65.6908 32.0539 177.1776 99 R 3.9465 8.1522 119.3651 57.5500 28.0502 176.4321 100 G 3.7361 7.6075 100.9887 46.5373 0.0000 171.3999 101 Q 4.2439 8.0244 129.4776 54.5962 31.9451 174.7673 102 R 4.4203 8.5100 120.4228 56.0410 29.6359 176.8328 103 T 4.7207 8.1549 118.0222 61.9399 69.5801 175.8493 104 R 4.5475 8.0753 122.4272 57.2998 32.1812 175.4294 105 T 4.7242 7.5647 103.5423 60.8880 70.8587 173.6976 106 N 4.2081 7.7879 121.1459 56.3654 44.1681 175.3337 107 A 3.8236 8.8153 129.1107 53.6145 15.8667 179.8176 108 R 4.0036 7.9730 117.2827 59.9372 30.2976 178.0114 109 T 4.1532 7.8094 113.8145 65.4501 68.8575 175.6923 110 R 4.2942 8.0559 118.2582 56.0009 30.9552 175.9258 111 K 4.5018 7.6539 118.0941 53.9067 34.5508 175.2216 112 G 3.6804 8.6528 111.2710 44.7887 0.0000 171.4077 113 P 3.7539 0.0000 0.0000 63.3423 30.3137 177.5612 114 R 3.4341 7.1239 121.1790 56.0974 26.5246 176.3536 115 K 4.3953 8.0880 123.2079 54.1585 32.0610 176.0325 116 T 3.9722 8.0515 123.4354 64.4728 69.3121 173.6623 117 V 4.1608 8.0239 121.2487 63.1037 34.9532 176.0289 118 A 3.6433 7.9788 127.6604 52.8608 19.3993 175.0948 119 G 3.8175 8.0149 101.6436 45.7712 0.0000 175.8643 120 K 3.9438 8.0708 119.6956 54.7294 31.2380 177.3522 121 K 3.5421 7.4389 116.5361 58.1603 31.7932 173.4640 122 K 4.0682 7.7579 114.5617 56.6473 34.0508 174.2524 123 A 4.1040 9.1606 122.7776 53.2940 18.9523 176.4382 124 P 4.3105 0.0000 0.0000 61.8841 34.0806 178.1480 125 R 4.5904 8.3640 131.0661 55.7867 33.3962 175.7793 *126 K 4.1215 8.5157 119.0547 55.4137 32.4047 171.4393 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 2 A 8.26 4.31 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 3 R 7.78 4.25 0.00 1.91 1.91 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 4 I 8.30 4.40 1.90 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 1.26 0.71 0.95 0.00 0.00 5 A 7.89 3.86 1.26 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 6 G 7.65 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 0.00 0.00 0.00 7 V 8.29 3.79 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 0.93 0.00 0.00 8 E 9.04 4.50 0.00 2.01 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 0.00 2.30 2.29 0.00 9 I 8.05 4.89 1.90 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 1.49 0.60 0.99 0.00 0.00 10 P 0.00 4.28 0.00 2.13 2.18 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 11 R 7.77 4.05 0.00 2.01 2.24 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 12 N 7.20 3.88 0.00 2.75 2.84 0.00 0.00 6.72 6.68 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 13 K 8.53 4.65 0.00 1.86 1.59 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 14 R 8.31 4.23 0.00 1.81 1.99 0.00 3.10 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 15 V 7.91 3.89 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 0.94 0.00 0.00 1.03 0.00 0.00 16 D 8.09 4.48 0.00 2.82 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 17 V 7.38 3.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.87 0.00 0.00 18 A 7.44 3.57 1.34 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 0.00 0.00 0.00 19 L 7.60 3.92 0.00 1.65 1.74 0.95 0.73 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 20 T 7.63 4.49 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 1.29 0.00 0.00 21 Y 7.74 4.49 0.00 3.08 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 22 I 7.86 4.81 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.07 0.94 0.00 0.00 23 Y 8.84 4.12 0.00 2.97 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 24 G 8.31 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.76 4.02 2.06 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 0.99 1.07 0.84 0.00 0.00 26 G 7.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.41 4.04 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.56 7.81 28 A 7.84 4.21 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 29 R 7.86 4.08 0.00 1.59 1.79 0.00 2.29 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.34 0.00 30 A 8.06 4.02 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 31 K 7.77 4.12 0.00 1.67 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 32 E 8.27 4.11 0.00 2.20 2.32 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 2.47 2.43 0.00 33 A 8.99 4.70 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 34 L 7.60 4.03 0.00 2.00 1.87 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.84 3.98 0.00 2.23 2.23 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 2.60 2.34 0.00 36 K 7.95 3.69 0.00 1.68 0.98 0.00 1.35 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.62 7.81 37 T 8.12 3.90 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 1.35 0.00 0.00 38 G 7.50 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 39 I 8.01 4.50 1.89 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 1.19 0.93 0.92 0.00 0.00 40 N 8.82 4.30 0.00 2.79 2.72 0.00 0.00 7.21 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.17 0.00 2.21 2.08 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 42 A 8.25 3.90 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 43 T 7.06 3.95 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 1.21 0.00 0.00 44 R 8.63 4.32 0.00 1.76 1.96 0.00 3.23 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 45 V 8.22 3.76 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 0.70 0.00 0.00 0.98 0.00 0.00 46 K 8.30 4.07 0.00 1.83 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 47 D 8.37 4.71 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.64 0.00 1.58 1.53 0.93 0.95 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 49 T 8.98 3.91 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 1.23 0.00 0.00 50 E 8.91 4.07 0.00 1.98 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 0.00 2.41 2.33 0.00 51 A 7.80 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 52 E 8.15 3.91 0.00 2.14 2.05 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 2.41 2.40 0.00 53 V 8.14 3.51 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 1.01 0.00 0.00 1.04 0.00 0.00 54 V 7.77 3.57 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 0.96 0.00 0.00 0.98 0.00 0.00 55 R 8.68 3.35 0.00 1.81 2.14 0.00 3.31 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 56 L 8.50 4.25 0.00 1.90 1.96 1.00 1.00 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 57 R 8.27 3.68 0.00 2.13 2.23 0.00 2.87 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 58 E 9.14 4.08 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 59 Y 8.56 4.32 0.00 2.76 3.23 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 60 V 7.97 3.40 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 1.08 0.00 0.00 1.03 0.00 0.00 61 E 8.73 4.00 0.00 2.15 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 2.37 2.50 0.00 62 N 7.46 4.59 0.00 2.87 2.89 0.00 0.00 7.04 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.72 4.44 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 0.43 0.00 0.00 64 W 7.79 4.38 0.00 3.26 3.23 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 65 K 8.51 4.48 0.00 2.01 1.90 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.57 7.81 66 L 7.62 4.92 0.00 1.61 1.92 1.03 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 67 E 8.37 3.37 0.00 1.97 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 2.32 2.29 0.00 68 G 8.22 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 69 E 8.32 4.32 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 70 L 7.38 5.09 0.00 1.83 1.73 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.47 3.83 0.00 1.24 1.77 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 72 A 8.47 3.97 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 73 E 8.09 3.77 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 74 V 8.57 3.52 2.34 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 0.98 0.00 0.00 1.04 0.00 0.00 75 A 7.61 3.95 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 76 A 8.05 3.95 1.34 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 0.00 0.00 0.00 77 N 8.63 4.31 0.00 2.97 2.83 0.00 0.00 7.00 7.23 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 78 I 8.04 3.79 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.77 0.00 0.00 79 K 8.53 4.04 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 80 R 9.23 3.89 0.00 1.87 1.99 0.00 3.09 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 81 L 7.84 4.32 0.00 1.85 1.70 0.91 0.85 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 82 M 7.62 4.50 0.00 1.93 2.14 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 2.47 2.89 0.00 83 D 8.22 4.99 0.00 2.80 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 0.00 0.00 0.00 84 I 8.66 3.65 1.88 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 1.35 0.81 0.92 0.00 0.00 85 G 8.97 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 86 C 8.38 4.59 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 87 Y 8.44 4.16 0.00 3.05 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 88 R 8.35 4.02 0.00 1.91 2.02 0.00 3.26 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 89 G 8.03 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 9.35 3.43 0.00 1.64 1.50 0.97 1.28 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 91 R 6.57 3.41 0.00 1.99 1.87 0.00 3.06 0.00 0.00 3.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.24 0.00 92 H 8.14 4.04 0.00 3.28 3.35 0.00 5.83 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 93 R 8.82 3.83 0.00 1.72 2.01 0.00 3.14 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 94 R 7.40 4.30 0.00 1.99 1.95 0.00 3.31 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 95 G 8.24 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 96 L 7.20 4.40 0.00 1.57 1.58 0.90 1.03 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 97 P 0.00 4.29 0.00 2.15 2.03 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 98 V 8.27 3.68 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.73 0.00 0.00 99 R 8.15 3.95 0.00 1.85 1.90 0.00 3.26 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 100 G 7.61 3.74 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 0.00 0.00 0.00 101 Q 8.02 4.24 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.56 0.00 102 R 8.51 4.42 0.00 1.83 1.83 0.00 3.17 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 103 T 8.15 4.72 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 1.21 0.00 0.00 104 R 8.08 4.55 0.00 1.75 1.93 0.00 3.18 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 105 T 7.56 4.72 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 1.21 0.00 0.00 106 N 7.79 4.21 0.00 2.79 2.57 0.00 0.00 7.03 7.23 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 0.00 107 A 8.82 3.82 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.97 4.00 0.00 1.78 2.02 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 109 T 7.81 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 110 R 8.06 4.29 0.00 1.76 2.14 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 111 K 7.65 4.50 0.00 1.67 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 112 G 8.65 3.68 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 0.00 0.00 0.00 113 P 0.00 3.75 0.00 2.06 2.02 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 114 R 7.12 3.43 0.00 1.85 2.10 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 K 8.09 4.40 0.00 1.82 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.41 7.81 116 T 8.05 3.97 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 1.21 0.00 0.00 117 V 8.02 4.16 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 0.81 0.00 0.00 0.96 0.00 0.00 118 A 7.98 3.64 1.34 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 0.00 0.00 0.00 119 G 8.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.07 3.94 0.00 1.92 2.01 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.51 7.81 121 K 7.44 3.54 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 122 K 7.76 4.07 0.00 1.78 1.73 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.34 7.81 123 A 9.16 4.10 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 0.00 124 P 0.00 4.31 0.00 2.09 1.31 0.00 3.62 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 2.01 2.16 0.00 125 R 8.36 4.59 0.00 1.74 1.83 0.00 3.40 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 *126 K 8.52 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.