NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3718 8.2644 123.5957 52.0009 19.8499 175.9126 3 V 3.7977 8.3213 123.4327 61.3085 31.7393 173.8652 4 N 4.6677 8.7384 125.2623 52.7347 40.3597 174.3270 5 V 4.2725 7.7798 119.6376 61.1544 34.4665 174.1337 6 Y 5.0310 8.0789 121.8568 56.1260 43.1421 179.7757 7 S 3.4787 9.3261 117.5075 59.7277 63.6040 174.5507 *14 N 4.6176 9.0466 107.7446 52.7573 39.9871 173.3945 15 L 4.8850 8.1608 119.5952 52.1227 45.4564 177.6871 16 S 4.5917 8.4741 116.6337 58.1314 65.1985 175.4957 17 R 4.1461 8.8635 120.0041 60.1027 28.9582 178.7727 18 H 4.2141 8.3289 116.3017 58.8354 28.6883 177.3668 19 D 4.4992 8.2518 120.4173 57.2236 40.5633 178.4065 20 M 4.4957 8.5692 119.1634 58.8351 32.3476 178.1710 21 L 4.0596 8.0783 118.7444 57.7872 41.7369 179.3505 22 A 4.0095 8.0974 120.5680 54.9697 18.3794 179.3374 23 W 4.1180 9.2427 127.8834 60.7721 30.7115 178.1541 24 I 3.4601 8.2191 119.7195 64.3776 36.5437 178.0999 25 N 4.2093 8.5135 117.5784 56.3405 38.4953 177.2906 26 E 3.8382 8.2702 119.8986 59.5300 29.3882 179.3481 27 S 3.8836 7.6995 113.9282 61.2121 62.9312 176.1895 28 L 4.1945 7.4381 117.4759 53.0152 42.6104 176.4486 29 Q 3.3144 7.4053 116.3217 57.3582 26.4714 171.9214 30 L 4.7569 7.8721 116.4607 53.1478 45.2624 176.3753 31 N 5.0710 8.0492 114.2536 52.8909 39.3340 175.1706 32 L 4.2687 8.5832 118.0291 55.0808 42.5123 177.7979 33 T 4.6226 9.0682 109.1100 61.2498 70.3324 174.1898 34 K 4.7085 7.7784 120.8521 53.9988 36.3351 176.9685 35 I 3.8702 8.6554 123.2043 64.3927 36.7745 178.4119 36 E 4.1856 8.3051 117.5794 58.7810 29.4358 178.5114 37 Q 4.0972 8.0052 118.5032 57.7568 28.7455 177.3077 38 L 4.0011 7.7138 119.6421 55.5409 41.5656 178.0597 39 C 4.4707 7.7970 115.2541 60.3522 29.5873 175.0944 40 S 3.3403 7.0599 115.5263 58.4914 63.2428 175.5496 41 G 2.9392 7.8927 110.6124 45.9705 0.0000 175.7270 42 A 3.5951 7.3313 121.8968 55.1584 18.3008 179.3536 43 A 3.7368 7.6693 118.6405 55.6418 18.3321 179.3163 44 Y 4.2484 7.3944 114.4906 61.3969 37.8702 178.4660 45 C 4.3150 7.9089 117.4453 62.7958 28.1859 176.1851 46 Q 4.1117 8.1402 119.4416 59.0125 28.3597 178.5646 47 F 4.6244 8.3767 118.9432 61.0324 39.0145 177.3864 48 M 4.6856 9.0789 117.8952 59.0882 32.2736 177.7826 49 D 4.6498 8.8158 117.8248 56.9912 41.1358 177.3861 50 M 4.3642 8.2012 117.7884 57.8234 32.4845 177.4860 51 L 4.2216 8.1737 118.5696 55.8612 43.3019 177.1757 52 F 4.7832 8.7043 117.7649 54.0687 39.8775 170.1530 53 P 5.0500 0.0000 0.0000 63.8391 30.3846 176.7290 54 G 4.1505 9.1388 112.7341 45.3910 0.0000 175.3126 55 S 4.4106 8.2327 113.5395 59.9916 63.4405 174.4312 56 I 4.4916 7.1962 119.1850 59.3381 40.0223 175.4621 57 A 4.5257 8.2642 127.3162 50.3429 18.3476 177.4414 58 L 4.0533 8.5600 122.4314 58.5449 42.0715 179.9958 59 K 3.8983 8.2670 118.0394 59.3926 32.0615 177.5704 60 K 4.1423 7.8803 117.1145 58.2676 32.3962 177.8513 61 V 3.4994 7.4800 118.9738 62.6979 31.9276 176.1248 62 K 4.2905 8.7149 127.5314 54.7047 30.8981 177.2297 63 F 4.2436 8.4298 123.0402 59.5747 39.1650 176.5872 64 Q 4.6104 7.9672 117.5064 55.1395 29.2134 175.1902 65 A 4.2291 7.6021 120.5489 53.0940 18.6376 178.6074 66 K 4.6813 9.1037 119.9272 55.7379 34.8359 177.3452 67 L 4.2235 7.5929 118.7335 53.1772 44.1217 177.0106 68 E 3.3536 8.2106 122.7736 59.5296 29.7168 179.0253 69 H 4.2610 8.0314 114.2874 58.2717 28.6781 177.3017 70 E 3.8623 7.4936 121.4605 59.3186 29.3903 178.4241 71 Y 4.4728 7.7080 116.8842 61.3306 37.9871 178.7283 72 I 3.9467 8.1780 120.8225 64.5147 37.3071 178.4280 73 Q 4.0381 8.2796 118.8890 59.0776 28.5389 178.7262 74 N 4.2039 8.0739 117.2674 56.4434 38.5681 177.5352 75 F 4.1840 8.0778 118.9833 60.4024 38.8284 177.9310 76 K 4.0919 8.3099 118.3324 59.4768 31.8168 179.4642 77 I 3.6925 7.6959 119.9199 63.9777 36.8638 178.3079 78 L 3.7848 7.7685 121.2884 58.2489 41.9246 178.7196 79 Q 3.7616 8.3756 119.6643 59.2070 29.0253 178.2835 80 A 4.1139 8.4059 122.1794 54.9476 18.4393 179.9060 81 G 3.6425 8.0475 104.4975 47.7570 0.0000 176.0130 82 F 4.4614 8.5158 120.5678 60.3951 39.0171 177.3736 83 K 3.8817 8.4499 119.4045 59.9130 31.7406 178.7559 84 R 3.9848 7.6919 116.2104 59.2943 30.0732 178.0210 85 M 4.3278 7.6615 115.1691 54.5305 32.0564 176.7034 86 G 3.8040 7.7451 106.9996 46.1541 0.0000 173.7756 87 V 4.0423 8.0248 120.5081 61.9093 31.6512 175.5787 88 D 4.6475 9.2086 126.6446 52.8907 39.9467 176.5441 89 K 3.6609 7.5500 122.2392 56.6698 32.3186 175.8253 90 I 4.0720 8.0453 127.7553 60.2376 37.4098 175.5871 91 I 3.7281 8.1680 127.6752 60.2920 38.0583 176.3651 92 P 4.4222 0.0000 0.0000 61.5010 27.6232 176.6304 93 V 2.8063 7.1512 124.1290 66.9771 31.7897 176.6660 94 D 4.4804 7.8657 116.2858 57.2157 40.3607 178.5756 95 K 4.1350 7.7588 118.5336 59.0344 32.1946 179.2046 96 L 3.9624 7.5673 119.2360 57.8446 41.3629 179.8091 97 V 4.0671 8.0001 110.5368 63.4764 31.5384 178.1400 98 K 4.4192 7.6689 116.8314 56.9511 31.9948 177.0987 99 G 3.8775 8.2246 107.2962 46.5520 0.0000 173.6336 100 K 4.6133 7.7543 117.5534 54.4026 34.1259 177.2214 101 F 4.2673 8.5691 124.3566 60.6172 39.3163 176.9388 102 Q 4.0164 8.3619 118.3964 59.7750 28.8307 178.8459 103 D 4.5114 8.1436 118.7171 57.7370 41.0162 178.6762 104 N 4.5513 7.7722 116.0090 56.2092 38.4638 177.3421 105 F 4.3860 8.2601 122.5274 61.0285 39.5388 176.8107 106 E 3.8507 9.0929 120.2873 59.3572 29.2959 178.7614 107 F 4.3233 8.8107 121.1953 61.1398 39.5490 177.4605 108 V 3.9578 8.2044 118.9205 65.2801 30.9164 178.3171 109 Q 3.8517 7.9849 118.6760 58.1385 28.4262 178.5135 110 W 3.9103 7.5944 127.9607 60.5557 30.7504 177.7737 111 F 3.5906 8.4722 120.6430 60.9220 38.7592 176.9958 112 K 3.7186 8.2005 119.3624 59.2584 31.9710 179.0063 113 K 3.6904 7.3805 118.8375 59.1905 31.5295 179.0042 114 F 3.5595 7.3620 120.9475 60.9761 39.0764 176.9248 115 F 3.4296 8.1045 120.3477 61.3083 39.0122 176.8045 116 D 4.4083 8.2680 117.1782 57.2508 40.6050 178.3508 117 A 4.0205 7.5719 120.1336 53.6463 18.5548 177.6242 118 N 4.5098 6.7801 111.5738 52.8855 40.5567 174.4599 119 Y 3.9072 7.2371 120.7026 57.2893 39.5312 175.3061 120 D 3.8595 6.8085 122.8582 54.1499 44.5398 172.8280 121 G 4.0757 7.0681 113.4750 45.8717 0.0000 169.9966 122 K 3.5203 8.5622 129.4716 56.2078 30.1838 175.4518 *127 V 3.8805 7.8796 122.5476 62.6892 33.3238 177.3814 128 A 3.8967 7.8559 121.8581 55.0498 18.4696 178.6625 129 A 4.0541 7.8360 117.0546 54.1757 18.8004 177.5119 130 R 3.4371 7.2496 119.4506 55.9840 30.1423 176.1182 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 4.37 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 3 V 8.32 3.80 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 0.76 0.00 0.00 0.89 0.00 0.00 4 N 8.74 4.67 0.00 2.77 2.40 0.00 0.00 6.87 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 5 V 7.78 4.27 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.69 0.00 0.00 6 Y 8.08 5.03 0.00 3.05 2.90 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 7 S 9.33 3.48 0.00 4.14 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 *14 N 9.05 4.62 0.00 2.70 2.79 0.00 0.00 6.58 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 15 L 8.16 4.88 0.00 1.58 1.58 0.74 0.61 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 16 S 8.47 4.59 0.00 4.17 4.08 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 17 R 8.86 4.15 0.00 1.81 2.06 0.00 2.80 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 18 H 8.33 4.21 0.00 3.29 3.46 0.00 5.81 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 19 D 8.25 4.50 0.00 2.82 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 20 M 8.57 4.50 0.00 2.55 2.39 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.90 0.00 21 L 8.08 4.06 0.00 1.97 1.76 0.93 0.99 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 22 A 8.10 4.01 1.46 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 23 W 9.24 4.12 0.00 3.38 3.50 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 0.00 0.00 0.00 24 I 8.22 3.46 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.01 0.89 0.00 0.00 25 N 8.51 4.21 0.00 2.85 2.93 0.00 0.00 7.10 7.54 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 26 E 8.27 3.84 0.00 2.10 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 2.31 2.44 0.00 27 S 7.70 3.88 0.00 3.35 3.51 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 28 L 7.44 4.19 0.00 1.22 1.31 -0.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.41 3.31 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 30 L 7.87 4.76 0.00 1.57 1.49 0.73 0.64 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 31 N 8.05 5.07 0.00 2.61 2.71 0.00 0.00 6.88 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 32 L 8.58 4.27 0.00 1.58 1.75 0.86 0.59 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 33 T 9.07 4.62 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 34 K 7.78 4.71 0.00 1.81 2.01 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 35 I 8.66 3.87 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.48 0.92 0.00 0.00 36 E 8.31 4.19 0.00 2.31 2.31 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 2.44 2.43 0.00 37 Q 8.01 4.10 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 38 L 7.71 4.00 0.00 1.82 1.47 1.06 0.98 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 39 C 7.80 4.47 0.00 3.32 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 40 S 7.06 3.34 0.00 3.84 3.50 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 0.00 0.00 0.00 41 G 7.89 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 0.00 0.00 0.00 42 A 7.33 3.60 1.16 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 43 A 7.67 3.74 0.96 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 44 Y 7.39 4.25 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.31 0.00 3.04 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 46 Q 8.14 4.11 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.77 0.00 47 F 8.38 4.62 0.00 3.83 3.86 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 48 M 9.08 4.69 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.93 0.00 49 D 8.82 4.65 0.00 3.06 2.98 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 50 M 8.20 4.36 0.00 2.70 2.43 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.98 0.00 51 L 8.17 4.22 0.00 2.00 0.79 0.73 -0.44 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 52 F 8.70 4.78 0.00 3.16 3.01 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 53 P 0.00 5.05 0.00 2.10 2.11 0.00 3.74 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 54 G 9.14 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 55 S 8.23 4.41 0.00 4.07 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 56 I 7.20 4.49 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.97 0.00 0.00 57 A 8.26 4.53 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 58 L 8.56 4.05 0.00 1.84 2.01 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.27 3.90 0.00 1.73 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 60 K 7.88 4.14 0.00 1.96 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.51 7.81 61 V 7.48 3.50 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 -0.10 0.00 0.00 0.76 0.00 0.00 62 K 8.71 4.29 0.00 1.76 1.71 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 63 F 8.43 4.24 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 64 Q 7.97 4.61 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 65 A 7.60 4.23 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 66 K 9.10 4.68 0.00 1.68 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 67 L 7.59 4.22 0.00 1.40 1.42 0.95 0.79 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 68 E 8.21 3.35 0.00 1.88 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 2.40 2.58 0.00 69 H 8.03 4.26 0.00 3.37 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.49 3.86 0.00 1.97 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 2.25 2.02 0.00 71 Y 7.71 4.47 0.00 3.24 3.15 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 72 I 8.18 3.95 2.09 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 1.60 1.20 0.95 0.00 0.00 73 Q 8.28 4.04 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 74 N 8.07 4.20 0.00 2.79 2.53 0.00 0.00 7.06 8.14 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 75 F 8.08 4.18 0.00 3.24 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 76 K 8.31 4.09 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 77 I 7.70 3.69 1.98 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 1.38 0.87 0.89 0.00 0.00 78 L 7.77 3.78 0.00 1.69 1.79 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.38 3.76 0.00 2.22 2.21 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 2.36 2.46 0.00 80 A 8.41 4.11 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 81 G 8.05 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 82 F 8.52 4.46 0.00 3.24 3.20 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 83 K 8.45 3.88 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 84 R 7.69 3.98 0.00 2.05 2.00 0.00 3.23 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 85 M 7.66 4.33 0.00 1.31 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.62 0.00 86 G 7.75 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 87 V 8.02 4.04 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 -0.29 0.00 0.00 0.83 0.00 0.00 88 D 9.21 4.65 0.00 2.80 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 89 K 7.55 3.66 0.00 1.35 1.25 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.99 7.81 90 I 8.05 4.07 1.81 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 1.40 0.65 0.85 0.00 0.00 91 I 8.17 3.73 1.66 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 1.62 0.54 0.12 0.00 0.00 92 P 0.00 4.42 0.00 2.09 2.09 0.00 2.93 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 1.63 1.92 0.00 93 V 7.15 2.81 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 0.93 0.00 0.00 0.66 0.00 0.00 94 D 7.87 4.48 0.00 2.59 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 95 K 7.76 4.13 0.00 1.79 1.79 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 96 L 7.57 3.96 0.00 1.19 1.56 -0.18 0.83 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 97 V 8.00 4.07 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 0.94 0.00 0.00 1.06 0.00 0.00 98 K 7.67 4.42 0.00 1.90 1.90 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.77 1.60 7.81 99 G 8.22 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 0.00 0.00 0.00 100 K 7.75 4.61 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.39 7.81 101 F 8.57 4.27 0.00 3.35 3.03 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 0.00 102 Q 8.36 4.02 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 103 D 8.14 4.51 0.00 2.74 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 0.00 104 N 7.77 4.55 0.00 3.12 3.08 0.00 0.00 6.74 8.01 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 0.00 105 F 8.26 4.39 0.00 2.10 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 0.00 106 E 9.09 3.85 0.00 2.09 2.15 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 2.36 2.35 0.00 107 F 8.81 4.32 0.00 3.09 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 0.00 108 V 8.20 3.96 2.52 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 1.04 0.00 0.00 1.23 0.00 0.00 109 Q 7.98 3.85 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 110 W 7.59 3.91 0.00 3.31 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 0.00 111 F 8.47 3.59 0.00 3.02 3.27 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 0.00 112 K 8.20 3.72 0.00 1.64 1.73 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.05 7.81 113 K 7.38 3.69 0.00 1.51 1.56 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.40 7.81 114 F 7.36 3.56 0.00 1.51 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 0.00 0.00 0.00 115 F 8.10 3.43 0.00 2.98 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 0.00 116 D 8.27 4.41 0.00 2.59 2.61 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 0.00 117 A 7.57 4.02 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 0.00 0.00 0.00 0.00 0.00 118 N 6.78 4.51 0.00 1.95 2.31 0.00 0.00 6.94 7.12 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 0.00 119 Y 7.24 3.91 0.00 1.70 2.47 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 0.00 120 D 6.81 3.86 0.00 2.25 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 0.00 0.00 0.00 121 G 7.07 4.08 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 0.00 0.00 0.00 122 K 8.56 3.52 0.00 1.90 1.88 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.38 7.81 *127 V 7.88 3.88 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 0.89 0.00 0.00 0.91 0.00 0.00 128 A 7.86 3.90 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 0.00 129 A 7.84 4.05 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 0.00 130 R 7.25 3.44 0.00 1.52 1.10 0.00 2.66 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 * Residues marked with a * may have inaccurate shift predictions.