NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2903 8.3444 119.1176 54.9755 29.8715 173.9789 3 T 4.2431 8.2435 116.1492 59.3359 68.5988 172.0106 4 P 4.3492 0.0000 0.0000 63.1482 33.7559 174.2904 5 H 5.3549 9.6737 121.9091 54.5277 30.7537 173.7347 6 I 4.6478 8.7593 125.2927 59.4665 39.4346 174.4924 7 L 4.9684 8.9420 129.7921 53.6752 43.9098 174.8919 8 I 4.6465 8.9440 128.4008 59.7746 39.1935 174.9888 9 V 4.7283 8.5555 128.7956 61.6925 32.3022 174.6194 10 E 4.7801 8.9600 128.4434 55.4969 32.4624 174.5894 11 D 4.6399 9.0012 125.6124 53.6826 40.7957 176.5085 12 E 4.3946 8.3818 121.9239 55.2156 30.3783 176.9573 13 L 4.0235 8.4718 126.0489 58.4355 40.7384 179.5034 14 V 3.5590 7.7029 119.0186 66.1623 31.5532 177.6559 15 T 3.9582 7.9927 115.0666 67.0092 68.2567 176.3158 16 R 3.9347 8.3738 120.5887 59.3944 30.1415 178.3125 17 N 4.3603 8.5347 116.7795 56.4937 38.5140 177.5079 18 T 3.9107 8.0843 117.1473 66.6421 68.4805 176.6735 19 L 4.0634 8.2957 121.1178 57.7913 41.7716 179.5034 20 K 4.0142 8.5258 120.0172 59.1842 31.9519 178.6770 21 S 4.2973 7.8756 113.7911 60.6035 63.2915 176.2096 22 I 3.5376 7.8783 123.0514 64.5270 37.2057 178.0268 23 F 4.3131 8.4013 118.0985 60.0255 38.7068 177.9546 24 E 4.1542 8.2771 118.3117 59.1895 29.0984 178.7642 25 A 3.8330 8.0812 119.4999 54.0684 18.4870 178.2320 26 E 4.1758 7.6492 115.5405 55.3860 29.9520 176.9639 27 G 3.9318 8.4933 108.2514 45.7185 0.0000 173.3247 28 Y 4.8665 7.4380 116.1640 57.2713 39.4995 174.7131 29 D 4.6065 8.8005 122.1290 53.8997 42.4096 175.5571 30 V 4.7009 8.1652 123.2819 61.2323 33.4594 174.5906 31 F 4.7711 9.6095 126.8938 55.9146 41.6216 174.6850 32 E 5.2825 8.7144 119.7257 54.7686 33.0895 175.0591 33 A 4.9866 8.9913 124.1051 50.9148 22.8081 176.7881 34 T 4.4149 9.2893 110.4786 61.5200 69.8483 173.4523 35 D 4.5565 7.4545 120.1539 52.7099 41.8566 175.3434 36 G 3.6387 8.7273 107.4662 48.6373 0.0000 174.9457 37 A 4.1923 8.2586 122.8419 55.3097 18.6557 180.2049 38 E 4.4148 8.9512 114.8580 57.1422 29.0562 178.9359 *40 H 4.7353 8.3135 118.1874 56.1035 30.9478 175.9616 41 Q 4.0183 8.0608 117.8741 59.1200 28.4826 178.9507 42 I 3.9387 8.0062 120.8414 64.2761 36.8866 178.4966 43 L 3.9782 7.8020 118.7491 57.8928 41.5769 179.2687 44 S 4.2347 8.0173 114.2247 60.8353 62.8220 175.6504 45 E 4.1667 7.6763 120.0015 56.1425 30.0214 175.2871 46 Y 4.6480 7.1901 114.3522 55.8985 41.6154 174.6773 47 D 4.6324 8.6067 120.9918 53.3521 40.9015 176.2379 48 I 4.3394 8.0506 125.3090 59.6314 39.0036 175.5353 49 N 4.7131 8.9706 122.3243 54.0583 40.0923 175.2794 50 L 4.6538 7.5021 119.9518 53.4947 45.9525 174.2574 51 V 4.7034 8.7060 126.1485 61.3193 33.9236 175.0225 52 I 4.3272 8.4191 128.6923 59.6500 40.3485 173.8478 *54 D 4.9806 8.1879 121.2745 55.1612 42.3401 175.8581 55 I 4.0431 8.2827 122.0574 63.2337 38.2169 175.9039 56 N 4.9298 7.9881 119.1649 52.4987 38.1206 174.2458 57 L 5.0526 8.0303 121.9355 51.9495 45.9592 174.4988 58 P 4.4517 0.0000 0.0000 63.4787 32.6695 178.0464 59 G 3.9658 8.6068 108.9199 45.1298 0.0000 173.4269 60 K 4.1233 8.4652 122.9289 56.1587 32.9513 177.1595 61 N 4.8673 8.6035 120.6154 52.5996 39.5677 176.6657 62 G 4.0498 8.9400 110.2099 47.1320 0.0000 176.3445 63 L 4.2428 8.0888 121.1146 57.8131 41.7266 178.9928 64 L 4.0175 8.6355 120.6184 58.2092 41.9817 178.9783 65 L 4.0038 8.2183 118.7701 57.7101 41.4376 179.3580 66 A 3.9564 8.3791 120.9413 55.0236 18.0918 179.6641 67 R 3.8604 7.9544 116.2207 59.6019 30.5375 178.2528 68 E 4.1213 8.3523 118.4181 59.3733 29.4330 178.9867 69 L 3.9636 8.2351 120.6173 58.4655 41.9345 179.3377 70 R 4.2148 8.0556 117.8192 58.2557 30.0262 178.2740 71 E 4.2005 7.8473 116.7159 57.8560 29.6801 177.1752 72 Q 4.4927 7.8205 115.9617 55.8777 30.4713 175.4482 73 A 4.4731 7.4475 118.1850 51.6258 21.6833 176.0268 74 N 4.8223 8.6658 117.9397 52.6853 39.0954 175.6921 75 V 3.6790 7.6770 117.7768 61.8980 31.8376 175.9615 76 A 4.2344 8.5865 124.2661 52.8346 19.6002 176.2163 77 L 5.3628 8.5967 122.5415 52.7805 46.9171 174.4923 *79 F 4.6131 8.4030 117.4226 57.1675 40.7252 174.6274 80 L 4.9947 8.1223 123.3533 54.1803 44.9926 174.5603 81 T 4.6417 8.6355 120.1722 60.8583 71.0435 174.3274 82 G 3.9614 8.8248 114.9898 46.6518 0.0000 175.1774 83 R 4.2761 7.8886 120.8921 55.5815 28.3643 176.1800 84 D 4.8030 7.8520 123.1737 52.3724 40.4325 175.2547 85 N 5.0936 7.5043 119.6586 49.9399 42.3841 175.0001 86 E 3.8714 8.6018 121.6618 59.0986 29.7179 179.2075 87 V 3.5035 7.6780 117.9548 66.2284 31.6420 177.7095 88 D 4.2285 8.5623 118.8047 56.8241 40.6080 178.5140 89 K 2.0000 7.4483 119.8900 59.0451 32.0296 178.8471 90 I 3.6048 7.4948 119.7618 64.2597 36.8998 178.5199 91 L 4.0344 8.1680 120.2865 57.6838 41.5537 179.7655 92 G 3.5475 8.1301 105.9497 47.7245 0.0000 175.7570 93 L 4.1077 8.0040 121.4901 57.5608 41.4685 179.0477 94 E 3.9277 8.2170 118.2196 59.5735 29.6278 178.8157 95 I 3.9749 7.9115 118.5747 62.4325 37.1029 176.7319 96 G 4.1477 7.9239 108.0151 45.1536 0.0000 173.8289 97 A 4.1276 7.9608 122.9631 51.8817 18.7713 178.7294 98 D 4.4932 8.6127 122.8186 56.9398 41.1166 175.7529 99 D 4.7314 7.6201 115.9232 53.3225 44.2547 173.3314 100 Y 4.9132 8.4098 122.3654 56.3631 41.4897 173.8671 101 I 4.8439 8.9049 128.1306 59.6947 40.7196 174.9546 102 T 5.1106 8.6331 116.1474 60.3964 70.8283 174.1329 103 K 4.9168 8.4655 123.2599 54.8006 33.3294 175.3258 104 P 4.5500 0.0000 0.0000 62.4770 32.2047 175.4794 105 F 4.9834 7.6318 113.8919 54.4487 40.9598 174.5615 106 N 4.5484 8.6720 120.6077 52.3742 39.8078 174.2768 107 P 4.5429 0.0000 0.0000 65.9166 31.3152 178.7980 108 R 3.8918 8.9491 118.6077 58.9486 29.9544 178.1308 109 E 3.9411 8.4907 118.7121 59.3235 29.5855 178.4678 110 L 3.9892 7.9951 120.3373 58.5517 42.1039 179.1419 111 T 4.0753 7.8928 109.6888 64.7563 68.6748 176.8059 112 I 3.7821 8.0215 122.7522 64.2214 37.1817 178.5566 113 R 3.9449 8.4676 119.1327 59.1358 29.8740 178.9755 114 A 4.0579 8.2648 120.5872 55.0817 18.3630 179.5143 115 R 3.9344 8.4663 117.5264 59.9041 30.2786 178.4397 116 N 4.3333 8.4737 116.4109 56.2187 38.5295 177.2323 117 L 3.9638 8.0529 121.6624 58.1947 42.0123 179.0047 118 L 4.0469 8.0512 119.4903 57.3753 41.5775 179.3480 119 S 4.2636 8.1545 114.5001 61.5440 62.7531 176.7958 120 R 4.0754 7.6302 119.9166 58.9772 29.8449 177.2812 121 T 4.2678 7.8600 113.9471 61.9144 68.9553 174.3436 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 Q 8.34 4.29 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 T 8.24 4.24 4.31 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 1.27 0.00 0.00 4 P 0.00 4.35 0.00 1.15 1.46 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 5 H 9.67 5.35 0.00 3.10 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.76 4.65 1.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 0.42 0.00 0.00 7 L 8.94 4.97 0.00 1.63 1.45 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.94 4.65 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.94 0.00 0.00 9 V 8.56 4.73 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 0.72 0.00 0.00 0.88 0.00 0.00 10 E 8.96 4.78 0.00 1.97 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 0.00 2.26 2.42 0.00 11 D 9.00 4.64 0.00 2.83 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 12 E 8.38 4.39 0.00 2.24 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 2.31 2.32 0.00 13 L 8.47 4.02 0.00 1.88 1.94 0.93 0.56 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 14 V 7.70 3.56 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 1.07 0.00 0.00 0.94 0.00 0.00 15 T 7.99 3.96 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 1.39 0.00 0.00 16 R 8.37 3.93 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 17 N 8.53 4.36 0.00 2.98 2.86 0.00 0.00 6.98 7.86 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 18 T 8.08 3.91 4.57 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 1.28 0.00 0.00 19 L 8.30 4.06 0.00 1.91 1.92 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.53 4.01 0.00 1.95 2.03 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.59 1.46 7.81 21 S 7.88 4.30 0.00 4.10 4.18 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 0.00 0.00 0.00 22 I 7.88 3.54 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.39 0.00 0.00 23 F 8.40 4.31 0.00 3.13 3.19 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 0.00 24 E 8.28 4.15 0.00 2.13 1.99 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 2.34 2.46 0.00 25 A 8.08 3.83 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 26 E 7.65 4.18 0.00 1.23 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 2.17 2.12 0.00 27 G 8.49 3.93 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 0.00 0.00 0.00 28 Y 7.44 4.87 0.00 3.03 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 29 D 8.80 4.61 0.00 2.79 2.42 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 0.00 0.00 0.00 0.00 30 V 8.17 4.70 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 0.83 0.00 0.00 1.04 0.00 0.00 31 F 9.61 4.77 0.00 2.82 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 32 E 8.71 5.28 0.00 1.80 1.81 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 2.20 2.25 0.00 33 A 8.99 4.99 1.20 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 0.00 0.00 0.00 0.00 0.00 34 T 9.29 4.41 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 1.22 0.00 0.00 35 D 7.45 4.56 0.00 2.78 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 36 G 8.73 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 0.00 0.00 0.00 37 A 8.26 4.19 1.33 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 38 E 8.95 4.41 0.00 2.01 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 2.35 2.48 0.00 *40 H 8.31 4.74 0.00 3.29 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.06 4.02 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 42 I 8.01 3.94 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.91 0.79 0.00 0.00 43 L 7.80 3.98 0.00 1.74 1.70 0.85 0.79 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 44 S 8.02 4.23 0.00 3.81 3.88 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 45 E 7.68 4.17 0.00 1.89 1.13 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 2.13 2.12 0.00 46 Y 7.19 4.65 0.00 2.57 2.38 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 0.00 0.00 0.00 0.00 47 D 8.61 4.63 0.00 2.68 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 48 I 8.05 4.34 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.82 0.00 0.00 49 N 8.97 4.71 0.00 2.36 2.73 0.00 0.00 6.75 7.86 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 50 L 7.50 4.65 0.00 1.55 1.22 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.71 4.70 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 0.78 0.00 0.00 0.82 0.00 0.00 52 I 8.42 4.33 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.69 0.86 0.00 0.00 *54 D 8.19 4.98 0.00 2.99 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 55 I 8.28 4.04 1.88 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 1.42 0.48 0.92 0.00 0.00 56 N 7.99 4.93 0.00 2.73 2.80 0.00 0.00 6.66 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 57 L 8.03 5.05 0.00 1.75 1.55 1.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.45 0.00 2.05 1.99 0.00 3.82 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 2.09 0.00 59 G 8.61 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 0.00 0.00 0.00 60 K 8.47 4.12 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 61 N 8.60 4.87 0.00 3.15 2.97 0.00 0.00 6.11 6.92 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 62 G 8.94 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 63 L 8.09 4.24 0.00 1.91 1.76 0.87 0.16 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 64 L 8.64 4.02 0.00 1.77 1.88 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.22 4.00 0.00 1.77 1.69 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.38 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.95 3.86 0.00 2.08 2.12 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 68 E 8.35 4.12 0.00 2.25 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 2.36 2.53 0.00 69 L 8.24 3.96 0.00 1.78 1.87 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.06 4.21 0.00 2.03 1.99 0.00 3.34 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 1.66 1.86 0.00 71 E 7.85 4.20 0.00 2.10 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 2.35 2.35 0.00 72 Q 7.82 4.49 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 73 A 7.45 4.47 1.18 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 0.00 0.00 0.00 0.00 0.00 74 N 8.67 4.82 0.00 2.70 2.83 0.00 0.00 6.95 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 75 V 7.68 3.68 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 0.60 0.00 0.00 0.88 0.00 0.00 76 A 8.59 4.23 1.25 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 77 L 8.60 5.36 0.00 1.61 1.37 0.64 0.77 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 *79 F 8.40 4.61 0.00 2.77 2.41 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 80 L 8.12 4.99 0.00 1.56 1.35 0.56 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.64 4.64 4.18 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 0.00 0.00 0.86 0.00 0.00 82 G 8.82 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 0.00 0.00 0.00 83 R 7.89 4.28 0.00 1.91 2.10 0.00 3.33 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 84 D 7.85 4.80 0.00 2.70 2.64 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 85 N 7.50 5.09 0.00 2.95 2.84 0.00 0.00 5.75 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 86 E 8.60 3.87 0.00 2.06 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 2.34 2.36 0.00 87 V 7.68 3.50 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 1.06 0.00 0.00 0.90 0.00 0.00 88 D 8.56 4.23 0.00 2.71 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 89 K 7.45 2.00 0.00 1.32 1.59 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 0.86 7.81 90 I 7.49 3.60 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.86 0.00 0.00 91 L 8.17 4.03 0.00 1.82 1.64 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.13 3.55 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 93 L 8.00 4.11 0.00 1.84 1.76 0.88 0.77 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 94 E 8.22 3.93 0.00 1.96 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 2.33 2.42 0.00 95 I 7.91 3.97 2.24 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 1.51 0.74 1.04 0.00 0.00 96 G 7.92 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.13 1.55 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 98 D 8.61 4.49 0.00 2.79 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 99 D 7.62 4.73 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.91 0.00 3.06 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 0.00 101 I 8.90 4.84 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 1.34 0.88 0.94 0.00 0.00 102 T 8.63 5.11 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 1.46 0.00 0.00 103 K 8.47 4.92 0.00 1.76 1.92 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.38 7.81 104 P 0.00 4.55 0.00 2.10 2.01 0.00 3.74 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 1.99 1.94 0.00 105 F 7.63 4.98 0.00 3.13 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 0.00 106 N 8.67 4.55 0.00 2.79 2.79 0.00 0.00 6.72 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 0.00 107 P 0.00 4.54 0.00 2.27 2.33 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 108 R 8.95 3.89 0.00 1.92 2.01 0.00 3.28 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 109 E 8.49 3.94 0.00 2.08 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 2.44 2.43 0.00 110 L 8.00 3.99 0.00 1.83 1.83 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.89 4.08 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 1.03 0.00 0.00 112 I 8.02 3.78 1.97 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 1.55 0.73 0.94 0.00 0.00 113 R 8.47 3.94 0.00 1.96 2.03 0.00 3.18 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 114 A 8.26 4.06 1.66 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 0.00 0.00 115 R 8.47 3.93 0.00 2.15 2.19 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 116 N 8.47 4.33 0.00 2.79 2.88 0.00 0.00 6.74 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 0.00 117 L 8.05 3.96 0.00 1.89 1.88 0.96 0.42 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 0.00 118 L 8.05 4.05 0.00 1.70 1.63 0.57 0.66 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 0.00 119 S 8.15 4.26 0.00 4.04 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 0.00 120 R 7.63 4.08 0.00 1.98 1.98 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 121 T 7.86 4.27 4.20 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 0.00 0.00 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.