NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.8914 8.1633 120.6466 55.5806 34.1245 173.8487 6 I 4.8611 8.5583 126.0990 58.5111 40.9622 172.6525 7 L 5.1457 9.5541 129.8393 53.4585 45.1151 174.9225 8 S 5.3098 9.3663 122.2230 56.8805 66.7514 173.5941 9 V 5.1384 8.5704 115.3167 60.1152 36.0439 174.3252 10 H 5.4367 8.4597 116.8600 54.4505 32.2052 171.9091 11 I 4.6843 8.7382 122.2666 59.3785 39.9969 174.1744 12 L 4.8939 8.7398 129.1406 53.0303 44.5275 174.7636 13 D 4.9753 8.7538 127.6998 54.4392 41.5135 176.4782 14 Q 4.1812 9.4427 128.3188 58.2312 29.1972 177.1322 15 Q 4.2486 8.5633 117.9154 58.2845 28.9545 176.9626 16 T 4.3279 8.1378 105.9374 60.7259 70.4822 175.4299 17 G 3.9396 8.4785 108.9457 45.5665 0.0000 172.8627 18 K 4.7949 7.6611 118.1055 53.2270 35.8672 174.1367 19 P 4.7655 0.0000 0.0000 62.9665 32.0059 176.0800 20 A 4.5806 8.5933 124.8638 50.1027 19.8430 175.0300 21 P 4.4658 0.0000 0.0000 62.7973 33.3217 175.8724 22 G 3.9182 8.7139 107.8939 46.6032 0.0000 173.4022 23 V 4.1452 7.7971 120.5950 60.9795 33.0792 174.8060 24 E 4.2151 8.7477 129.4314 56.1393 31.0345 175.3087 25 V 4.6872 9.1248 126.4154 61.0161 35.1073 173.9378 26 V 4.6279 8.3554 127.6681 61.0483 33.7958 173.7442 27 L 5.0577 9.0084 130.6094 53.7214 43.8788 174.9699 28 E 5.3580 9.5706 124.9093 54.6230 34.2858 174.2486 29 Q 4.5759 9.0367 122.8009 53.8881 32.2924 174.4001 30 K 3.6841 8.3574 130.4487 56.6693 32.5008 176.6290 *31 K 4.6977 8.4760 133.5209 52.8654 35.4882 173.0055 32 D 4.5522 7.9702 115.4618 54.5760 40.1665 173.3553 *34 G 4.0137 7.2789 115.6237 46.2280 0.0000 175.8934 35 W 5.4327 9.0850 123.2981 54.8297 31.2221 174.1152 36 T 4.7671 8.7657 112.5410 59.8197 71.8051 173.0707 37 Q 4.5450 8.8307 123.8371 56.4435 28.7987 175.7020 38 L 4.5597 8.9813 124.7560 56.7942 43.1745 176.3928 39 N 4.8934 7.7512 114.2230 53.0330 42.5240 173.2289 40 T 5.0470 8.5438 118.9694 61.8310 71.9811 173.3993 41 G 4.3554 9.2756 112.5498 44.8003 0.0000 170.6184 42 H 5.5424 8.5564 115.8652 53.5715 32.1454 174.2101 43 T 4.2574 8.8276 114.1452 62.0803 69.9406 174.6710 44 D 4.6103 8.5710 124.4108 52.5654 41.8104 176.3574 45 Q 3.9385 8.7671 116.6306 59.4562 28.6924 177.2412 46 D 4.6766 8.2734 114.9864 53.6846 41.0572 176.5189 47 G 3.9437 8.4109 107.2341 46.4991 0.0000 173.8042 48 R 5.0042 8.6295 118.2224 54.0626 32.7571 175.6687 49 I 4.7451 8.5115 121.8523 59.2007 38.2718 176.6212 50 K 3.8645 8.7689 125.2226 58.3500 32.1524 177.3402 51 A 4.6061 7.6350 121.2800 50.1139 20.1348 175.1335 52 L 4.0351 9.0587 124.8701 57.5631 42.7396 176.8365 53 W 3.3090 8.2190 127.4791 57.4619 28.1508 171.1328 54 P 4.2664 0.0000 0.0000 61.2051 32.0642 176.3450 55 E 4.2428 8.3096 119.7309 57.2933 29.1877 175.7541 56 K 4.7508 8.5260 124.0133 54.3158 36.7477 176.1984 57 A 4.4075 8.7401 123.9668 52.4704 18.9308 176.9434 58 A 4.7915 8.4964 122.1775 50.2101 22.5501 175.7043 59 A 4.3544 8.4502 123.1447 50.6185 19.5072 176.3073 60 P 4.5118 0.0000 0.0000 62.5775 32.4451 177.1484 61 G 3.7173 7.3640 105.6510 44.4614 0.0000 171.3039 62 D 5.1314 7.9978 119.9919 54.1077 42.2944 175.6385 63 Y 5.0985 9.1018 119.9872 56.2411 42.7066 174.2996 64 R 4.6998 8.6362 119.5333 55.0353 34.0752 173.8217 65 V 4.7028 8.7863 119.0268 59.5338 34.8979 174.6036 66 I 4.5611 8.4112 126.4608 59.4800 39.4329 175.0264 67 F 4.5382 9.1497 128.1037 55.9243 39.6837 177.1767 68 K 4.2495 8.7857 128.9668 55.9984 28.2659 177.9741 69 T 4.1817 7.6985 111.4280 63.3997 69.9087 177.3514 70 G 4.0922 8.1489 112.8184 48.2968 0.0000 176.3243 71 Q 4.2348 8.1227 122.9864 59.6187 28.0094 179.5682 72 Y 4.2574 7.4948 119.6991 61.1747 38.9230 178.2944 73 F 4.1054 8.0583 118.4080 60.0895 38.9902 177.4361 74 E 4.0408 8.1899 119.2788 59.2028 29.2433 178.8775 75 S 4.2168 7.7435 112.4032 60.3448 63.3535 174.8698 76 K 4.2047 7.2903 118.4008 55.4058 32.2221 176.2846 77 K 3.8768 7.6013 117.4592 57.7459 30.0725 175.1170 78 L 4.8002 8.2814 116.9642 52.8083 44.4178 177.0324 79 D 4.5958 8.4237 122.1712 54.6975 41.6595 175.5628 80 T 3.7776 7.5200 114.1811 60.4715 70.1973 173.6535 81 F 4.3696 7.5424 128.5469 59.7870 39.5801 175.4941 82 F 4.8876 7.0468 119.2217 54.7091 40.6955 174.1022 83 P 4.4255 0.0000 0.0000 65.5578 31.5891 175.3915 84 E 5.0435 7.5028 113.8286 55.7280 32.3592 175.3745 85 I 4.3408 8.6737 121.4590 58.8346 39.5281 173.1885 86 P 4.9128 0.0000 0.0000 61.9211 32.9562 175.8466 87 V 4.4089 9.0247 122.3949 61.2778 34.2291 173.9567 88 E 4.8779 8.9002 128.2585 55.6161 30.5562 176.0138 89 F 5.1431 8.7613 118.2510 55.6186 42.0034 172.5453 90 H 5.3365 9.0680 119.7062 54.5485 32.2477 173.0730 91 I 4.3754 8.3802 126.2809 59.7965 38.8403 176.1903 92 S 4.3460 8.9837 121.5482 58.9655 64.8680 174.2257 93 K 4.3912 7.8946 121.7194 55.0925 30.9111 176.7604 94 T 4.3792 8.3193 113.4771 62.2577 69.3935 175.7866 95 N 4.5554 8.0956 119.3833 55.0031 38.2284 175.0188 96 E 4.4011 7.6961 118.0353 55.5911 31.6569 174.8719 97 H 4.9933 8.4877 121.8060 55.8508 31.0206 173.7635 98 Y 4.7453 9.4584 124.2845 56.6213 40.4097 174.2734 99 H 5.1126 9.0488 122.5005 54.4099 30.8536 174.5270 100 V 4.4048 8.3820 124.3227 59.4272 30.6585 173.2071 101 P 4.4567 0.0000 0.0000 61.3770 33.4948 174.4478 102 L 4.7924 8.3869 123.6713 53.2404 45.0742 175.2740 103 L 4.8512 9.0019 127.6300 53.6405 43.0308 175.3026 104 L 4.8693 9.1339 127.9984 53.5747 43.6502 175.5820 105 S 5.3277 8.8032 121.7906 56.6094 66.0546 174.6387 106 Q 3.4631 9.6861 120.6718 58.7092 28.4149 178.1813 107 Y 4.7628 7.5848 113.3900 57.0446 39.3426 175.1716 108 G 4.3533 8.4882 105.9473 45.7996 0.0000 172.3628 109 Y 5.3405 7.8392 117.1976 56.2032 40.9400 173.7370 110 S 4.8957 9.0019 115.1555 57.2576 67.0942 173.3292 111 T 5.1693 8.6625 116.3898 60.4736 70.5874 171.5294 112 Y 4.7418 7.5684 121.8915 56.3745 41.3024 172.4521 113 R 4.5213 8.9003 120.6235 55.9532 30.5685 176.0386 114 G 4.1629 9.0289 113.0731 46.2043 0.0000 173.8772 115 S 4.5318 7.8613 122.3757 58.6773 63.1021 173.9633 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 5 M 8.16 4.89 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 6 I 8.56 4.86 1.60 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.65 0.00 0.00 7 L 9.55 5.15 0.00 1.76 1.63 0.92 0.76 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 8 S 9.37 5.31 0.00 3.64 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 9 V 8.57 5.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 10 H 8.46 5.44 0.00 3.23 3.34 0.00 5.41 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.74 4.68 1.66 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 0.68 0.90 0.59 0.00 0.00 12 L 8.74 4.89 0.00 1.67 1.52 0.97 1.09 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 13 D 8.75 4.98 0.00 2.86 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 14 Q 9.44 4.18 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 15 Q 8.56 4.25 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 16 T 8.14 4.33 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 1.30 0.00 0.00 17 G 8.48 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 18 K 7.66 4.79 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.55 7.81 19 P 0.00 4.77 0.00 1.93 2.08 0.00 3.68 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 2.11 0.00 20 A 8.59 4.58 0.70 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 21 P 0.00 4.47 0.00 2.12 2.13 0.00 4.07 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 22 G 8.71 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 0.00 0.00 0.00 23 V 7.80 4.15 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 0.92 0.00 0.00 0.47 0.00 0.00 24 E 8.75 4.22 0.00 1.98 1.73 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 2.22 1.98 0.00 25 V 9.12 4.69 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 0.42 0.00 0.00 0.94 0.00 0.00 26 V 8.36 4.63 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 0.84 0.00 0.00 0.86 0.00 0.00 27 L 9.01 5.06 0.00 1.77 1.72 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.57 5.36 0.00 1.79 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 2.37 2.20 0.00 29 Q 9.04 4.58 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 30 K 8.36 3.68 0.00 0.79 1.10 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.79 0.21 7.81 *31 K 8.48 4.70 0.00 1.50 1.56 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.27 1.22 7.81 32 D 7.97 4.55 0.00 2.69 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 *34 G 7.28 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 35 W 9.09 5.43 0.00 3.17 3.07 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 36 T 8.77 4.77 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 1.19 0.00 0.00 37 Q 8.83 4.54 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 38 L 8.98 4.56 0.00 1.67 2.03 0.95 0.97 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 39 N 7.75 4.89 0.00 2.93 2.79 0.00 0.00 6.95 7.22 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 40 T 8.54 5.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 G 9.28 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 0.00 0.00 0.00 0.00 42 H 8.56 5.54 0.00 2.98 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.83 4.26 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 1.30 0.00 0.00 44 D 8.57 4.61 0.00 2.91 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 45 Q 8.77 3.94 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.37 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 46 D 8.27 4.68 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 47 G 8.41 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 48 R 8.63 5.00 0.00 1.82 1.84 0.00 3.06 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 49 I 8.51 4.75 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.92 0.00 0.00 50 K 8.77 3.86 0.00 1.75 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 51 A 7.64 4.61 1.17 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 0.00 0.00 52 L 9.06 4.04 0.00 1.76 1.86 0.91 1.26 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 53 W 8.22 3.31 0.00 3.60 3.04 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 54 P 0.00 4.27 0.00 2.01 1.90 0.00 3.31 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 55 E 8.31 4.24 0.00 1.96 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 2.29 2.37 0.00 56 K 8.53 4.75 0.00 1.11 1.54 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.16 7.81 57 A 8.74 4.41 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 58 A 8.50 4.79 1.11 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 59 A 8.45 4.35 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 60 P 0.00 4.51 0.00 2.19 2.08 0.00 3.80 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 1.98 1.98 0.00 61 G 7.36 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.00 5.13 0.00 2.38 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 63 Y 9.10 5.10 0.00 1.66 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 0.00 0.00 0.00 64 R 8.64 4.70 0.00 0.72 1.09 0.00 2.42 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.28 0.00 65 V 8.79 4.70 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 0.73 0.00 0.00 0.95 0.00 0.00 66 I 8.41 4.56 1.71 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 1.03 0.64 0.86 0.00 0.00 67 F 9.15 4.54 0.00 2.89 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 68 K 8.79 4.25 0.00 2.00 1.77 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 69 T 7.70 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 70 G 8.15 4.09 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 0.00 0.00 0.00 71 Q 8.12 4.23 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 72 Y 7.49 4.26 0.00 3.01 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 73 F 8.06 4.11 0.00 3.21 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 74 E 8.19 4.04 0.00 2.36 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 2.30 2.19 0.00 75 S 7.74 4.22 0.00 3.94 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 76 K 7.29 4.20 0.00 1.94 1.83 0.00 1.13 0.00 0.00 1.27 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.12 7.81 77 K 7.60 3.88 0.00 1.89 1.88 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 78 L 8.28 4.80 0.00 1.73 1.46 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.42 4.60 0.00 3.00 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 80 T 7.52 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 81 F 7.54 4.37 0.00 2.44 1.51 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 0.00 0.00 0.00 0.00 82 F 7.05 4.89 0.00 3.11 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 83 P 0.00 4.43 0.00 2.23 2.31 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 84 E 7.50 5.04 0.00 2.07 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 0.00 2.12 2.25 0.00 85 I 8.67 4.34 1.58 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.54 0.01 0.00 0.00 86 P 0.00 4.91 0.00 1.92 1.89 0.00 3.67 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 1.93 1.90 0.00 87 V 9.02 4.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.13 0.00 0.00 88 E 8.90 4.88 0.00 1.93 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 0.00 1.94 2.11 0.00 89 F 8.76 5.14 0.00 3.09 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 90 H 9.07 5.34 0.00 3.26 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.38 4.38 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.45 0.76 0.00 0.00 92 S 8.98 4.35 0.00 4.03 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 93 K 7.89 4.39 0.00 2.00 1.91 0.00 1.72 0.00 0.00 2.11 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 94 T 8.32 4.38 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 1.26 0.00 0.00 95 N 8.10 4.56 0.00 2.87 3.04 0.00 0.00 6.10 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 96 E 7.70 4.40 0.00 1.65 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 97 H 8.49 4.99 0.00 3.12 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 9.46 4.75 0.00 2.83 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 99 H 9.05 5.11 0.00 2.92 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.38 4.40 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 0.81 0.00 0.00 0.22 0.00 0.00 101 P 0.00 4.46 0.00 1.52 1.32 0.00 2.66 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.82 0.00 102 L 8.39 4.79 0.00 0.49 0.67 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.00 4.85 0.00 1.69 1.84 0.99 0.33 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 L 9.13 4.87 0.00 1.58 1.59 0.70 1.05 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 0.00 105 S 8.80 5.33 0.00 4.14 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 0.00 106 Q 9.69 3.46 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.88 0.00 0.00 0.00 0.00 0.00 1.27 2.14 0.00 107 Y 7.58 4.76 0.00 2.81 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 0.00 108 G 8.49 4.35 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 0.00 109 Y 7.84 5.34 0.00 2.91 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 0.00 110 S 9.00 4.90 0.00 3.87 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 0.00 111 T 8.66 5.17 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 1.34 0.00 0.00 112 Y 7.57 4.74 0.00 3.02 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 0.00 113 R 8.90 4.52 0.00 1.94 1.97 0.00 3.37 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 114 G 9.03 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 0.00 0.00 0.00 0.00 115 S 7.86 4.53 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.