NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2185 8.4444 120.2264 55.8865 31.6560 175.1150 9 M 4.0967 7.9990 119.7062 54.4411 32.7046 173.2697 10 N 5.0397 8.3800 123.9303 52.2520 42.2527 173.0661 11 Y 5.3178 7.5311 118.0878 56.1534 41.5167 173.5969 12 E 4.8533 9.4040 119.1870 54.3476 33.6149 174.9043 13 E 4.1953 9.3225 125.8151 56.7564 29.6718 176.1539 14 V 4.4095 8.4734 120.9217 62.9560 33.6440 175.6130 15 F 4.9968 7.1086 113.0682 56.2966 40.9603 172.6810 16 S 5.3346 9.6380 113.2687 56.7162 66.9110 172.9978 17 I 5.2042 9.0264 120.5379 60.0498 41.2934 174.5405 18 T 4.9225 9.0319 123.6817 62.0787 70.6724 173.3109 19 I 4.8437 8.6693 128.0708 59.8370 40.0228 174.8325 20 T 4.8409 8.8451 123.6405 62.1143 70.3584 174.1830 21 V 4.8051 8.2115 118.6176 59.4656 34.9526 175.0673 22 D 4.6906 8.8629 124.3040 52.9668 42.5390 175.7023 23 K 4.1025 8.4647 121.1096 55.6107 32.7026 174.4393 24 P 4.5090 0.0000 0.0000 62.9616 32.4014 176.6367 25 I 4.2015 8.9367 125.1235 59.5791 37.6551 174.3149 26 L 4.1469 8.3277 129.4671 55.6319 42.0131 176.0349 27 I 4.0946 8.7629 128.4960 62.0376 37.6937 176.1967 28 G 4.0871 7.5863 105.8496 46.2124 0.0000 170.8896 29 Q 5.7421 8.8058 119.7921 55.0219 32.0753 172.7095 30 D 4.6803 8.3486 122.3759 52.7104 43.1121 174.9042 31 D 4.8053 8.7126 116.4729 54.4320 41.1021 176.8960 32 I 4.3013 7.9019 112.5158 62.5224 39.2334 177.4167 33 V 3.7312 8.3167 114.0808 62.0863 32.2903 175.9496 34 G 3.7356 7.9867 104.6014 43.6975 0.0000 171.4505 35 R 4.7925 8.8521 122.1910 54.7455 31.9148 176.3935 36 R 5.0139 8.7794 128.6066 55.3404 31.6696 175.1245 37 Q 5.0176 8.9669 123.3506 54.6858 32.8359 173.3873 38 L 5.1097 8.7785 120.8563 53.2190 44.3888 175.4141 39 I 4.5731 8.5755 125.1560 58.9574 39.2958 173.4122 40 P 4.8491 0.0000 0.0000 62.3631 32.8569 175.5575 41 I 4.4690 8.1892 124.8476 60.3420 37.5472 175.8952 42 I 4.0908 8.9461 129.8009 63.9925 37.8227 176.0599 43 S 4.5197 7.1905 113.9783 57.7144 66.2786 173.6407 44 G 4.2818 7.7499 103.8911 45.6318 0.0000 172.1608 45 K 5.0662 8.6982 124.6024 54.3061 35.0803 174.7232 46 V 4.9854 8.6643 127.9093 61.5120 33.3851 174.6604 47 S 5.4511 9.1522 121.7445 55.4300 66.8283 173.6400 48 G 4.5189 8.4070 112.7106 45.0412 0.0000 171.4790 49 N 4.2926 8.9169 118.7513 55.5231 39.2760 174.8965 50 N 4.2039 9.0221 124.6670 53.6240 36.5117 176.3149 51 F 4.5726 8.4098 120.6553 57.0814 41.1543 170.5954 52 N 5.1688 7.8036 121.8225 51.0503 42.5243 173.2312 53 G 4.2581 8.4431 109.7452 46.4075 0.0000 172.0391 54 K 5.2402 8.3150 120.2827 55.0312 36.6939 176.3245 55 V 4.3387 8.4242 121.9747 63.0498 32.0669 175.9467 56 L 4.5372 8.7990 128.0453 53.0395 42.9765 174.9285 57 P 4.3408 0.0000 0.0000 63.4989 31.7117 177.1333 58 G 4.0860 8.9754 107.7572 44.9700 0.0000 173.9124 59 G 4.4003 8.0124 107.9083 46.7255 0.0000 173.1780 60 I 5.1985 8.2701 123.9013 59.6010 41.9312 173.4317 61 D 5.0990 9.1519 127.4759 53.0013 42.6052 174.9893 62 S 4.7986 8.9012 122.4738 57.6034 63.7655 172.8170 63 Q 5.1632 9.0193 125.8568 54.1274 32.7682 174.4366 64 I 5.0144 8.6408 122.1061 59.4225 41.7898 173.9759 65 V 4.5393 8.6450 130.2356 61.5241 32.4198 175.8493 66 R 4.3920 9.2283 128.1164 55.1841 30.6812 176.1752 67 P 4.3027 0.0000 0.0000 65.8073 31.3357 177.2857 68 D 4.4919 7.9856 114.7080 53.7769 39.6448 176.9622 69 G 3.9694 8.3471 109.6417 44.9382 0.0000 173.8956 70 K 4.1343 8.2983 122.6973 56.4921 33.4495 175.0382 71 C 4.9569 9.0352 128.4351 58.2220 33.3649 171.7624 72 E 5.0165 9.2039 126.6229 54.8218 31.2291 174.8452 73 L 5.0652 9.2272 124.9992 52.9837 45.1374 175.8675 74 S 4.8546 9.3181 117.2955 56.8016 65.2065 171.9172 75 A 5.2601 9.1500 130.1132 50.4404 21.4877 175.6498 76 R 5.0337 8.7842 121.1760 54.7232 33.3756 174.6259 77 Y 5.3128 8.0868 120.8382 56.5147 42.0681 172.8223 78 A 5.3443 8.6816 119.8267 50.3210 23.2303 174.9195 79 I 5.0620 8.8732 112.1960 59.0565 41.6925 174.1841 80 R 4.8102 8.9380 124.0636 54.6664 32.5618 175.1136 81 L 4.7651 8.6862 126.8928 53.2922 43.2798 177.7395 82 D 4.2806 8.5425 120.4913 56.0576 39.3408 177.1019 83 D 4.4980 7.9425 117.4996 53.4733 39.6990 177.0940 84 G 3.8718 8.2796 109.5160 45.1221 0.0000 174.0540 85 A 4.2396 8.1688 121.9639 51.9321 19.4350 176.5272 86 A 5.1209 8.4970 121.8908 50.3493 22.1646 176.2273 87 I 4.6697 8.4811 119.6815 59.8038 41.5151 173.7235 88 Y 4.9523 9.0707 128.7362 56.1732 40.8498 174.1260 89 I 4.4725 8.0175 127.1967 59.1706 40.5949 173.8562 90 E 4.6528 8.3601 128.1979 54.3050 31.8474 173.9531 91 N 5.1984 8.9468 126.6553 52.0599 41.3085 172.7047 92 N 5.3825 8.5019 124.6114 51.8653 41.4729 174.1189 93 G 4.0452 8.7072 111.3658 46.0056 0.0000 171.7896 94 I 5.3818 8.5478 113.4252 59.2877 41.8426 174.8709 95 R 5.0808 9.1467 123.7943 55.1553 32.9945 173.9622 96 T 5.1611 9.3605 116.3495 60.0580 72.4983 173.1698 97 V 4.7085 8.0713 113.7290 58.6767 35.8875 173.9641 98 P 4.4533 0.0000 0.0000 62.7758 32.0646 177.2613 99 D 4.3908 8.8021 120.0534 57.6784 40.4156 179.0602 100 E 3.8953 8.0739 116.3951 58.6887 29.8263 177.5993 101 Y 4.4295 7.8973 116.3600 58.1522 38.6441 177.4344 102 I 3.7082 7.5025 121.7881 64.6313 37.3311 177.9572 103 E 3.9903 8.1936 118.4761 59.3113 28.5278 179.1548 104 A 4.0338 7.9313 120.4416 55.1837 18.3182 179.7225 105 V 4.2457 7.6034 115.8490 65.8669 31.6437 178.0076 106 K 4.2013 7.6807 116.9436 59.2681 32.0606 178.4299 107 S 4.4496 7.8264 115.3420 58.0473 62.8912 174.1707 108 G 4.0766 9.4774 110.9235 45.5676 0.0000 173.8802 109 E 4.1856 8.0566 118.8687 55.4249 30.0981 176.5971 110 F 4.1915 8.8446 123.2312 58.9258 39.7949 174.7637 111 V 3.9205 7.2212 126.0214 60.1129 34.2865 174.4055 112 D 4.1334 8.0015 125.9220 53.7123 41.0174 175.1816 113 P 4.6815 0.0000 0.0000 65.9126 31.1432 177.4005 114 N 4.5750 8.9308 114.4976 54.2001 38.7789 176.0429 115 A 3.8482 7.8027 121.8948 54.7016 18.5468 177.8026 116 Y 4.5297 7.2508 113.0959 58.2356 38.8359 175.1369 117 Y 4.5305 9.0552 125.5900 56.5196 40.6139 174.2438 118 F 5.3578 8.3195 128.9125 56.7746 41.8376 172.7761 119 R 5.1155 8.8727 124.1195 54.4508 34.5752 174.4315 120 T 5.0317 8.6640 111.2411 60.5248 73.3476 172.6831 121 I 4.8285 8.7794 123.2551 58.8697 39.5855 173.2843 122 P 4.7458 0.0000 0.0000 62.4346 32.7142 175.5650 123 T 4.3806 8.4197 119.4455 61.7590 70.9484 173.3519 124 F 5.4161 8.4128 123.8264 55.6136 42.1220 174.4454 125 E 4.7117 9.1384 122.5766 54.6485 32.3431 174.6825 126 T 4.4229 8.0453 115.4692 59.5721 72.5535 172.6887 127 Y 4.8814 8.0808 117.2955 57.2151 39.7122 175.3139 128 S 4.7122 8.0292 112.0496 56.3607 65.5744 172.8687 129 P 4.2855 0.0000 0.0000 65.7579 31.2610 178.5995 130 K 3.8407 7.6969 118.0657 58.6249 32.3214 176.8784 131 Y 4.6378 7.8063 114.7802 57.4834 38.5205 177.6049 132 K 4.1060 8.0247 122.8023 58.6988 31.9243 179.0551 133 W 4.4350 8.4694 117.0340 60.0015 27.5717 177.9361 134 M 3.9202 7.0395 118.2016 57.4902 31.3084 177.4738 135 M 4.5421 7.8903 117.0556 55.7077 32.4678 176.1240 136 N 5.1747 8.3482 115.6409 52.9486 40.3000 173.4740 137 H 5.0401 8.4185 113.7794 54.0941 33.0750 172.5647 138 I 4.6021 8.0008 121.1656 60.4849 38.8787 175.0197 139 F 5.4258 8.8969 123.1283 55.7752 43.0839 174.3693 140 V 4.6327 9.0365 120.6827 61.2557 35.1221 173.6503 141 C 4.9322 9.0118 127.4779 57.6882 34.1540 172.0288 142 C 4.7011 8.6969 124.0098 58.2374 29.4009 172.8291 143 A 5.4105 8.0174 125.0802 49.3593 21.8611 174.7803 144 S 4.7142 7.6840 111.3443 57.3200 66.3612 174.3652 145 R 4.1867 8.4518 120.5260 56.3118 30.3583 176.2919 *149 N 4.6763 8.3951 119.3533 53.1351 39.9472 173.5551 150 V 4.5840 8.2136 119.0931 60.0347 34.0928 174.3469 151 L 4.9327 8.5289 126.8786 53.4239 43.9687 174.7083 152 L 4.9238 8.8005 126.4744 52.7702 44.6677 175.4147 153 K 4.6148 8.7236 123.7775 54.4877 34.7883 175.0507 154 F 4.8912 8.6550 124.1595 55.7790 41.3345 174.2733 155 Y 5.2331 9.2451 121.3712 55.9863 41.0737 174.7648 156 K 3.9293 9.3648 126.5929 55.8916 33.7210 175.5638 157 I 4.4429 8.4833 129.1084 60.8025 38.1498 176.1765 158 S 4.4792 8.9404 122.6667 58.6568 62.4819 174.1712 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 8 E 8.44 4.22 0.00 1.98 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 2.21 2.25 0.00 9 M 8.00 4.10 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 10 N 8.38 5.04 0.00 2.65 2.60 0.00 0.00 6.62 7.48 0.00 0.00 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 Y 7.53 5.32 0.00 3.07 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 12 E 9.40 4.85 0.00 1.95 1.87 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 2.20 2.25 0.00 13 E 9.32 4.20 0.00 2.08 1.90 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 2.11 1.81 0.00 14 V 8.47 4.41 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 1.06 0.00 0.00 1.07 0.00 0.00 15 F 7.11 5.00 0.00 3.26 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 16 S 9.64 5.33 0.00 3.90 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 17 I 9.03 5.20 2.14 0.00 0.00 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 1.59 1.16 1.11 0.00 0.00 18 T 9.03 4.92 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 1.22 0.00 0.00 19 I 8.67 4.84 1.82 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.79 0.00 0.00 20 T 8.85 4.84 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 1.21 0.00 0.00 21 V 8.21 4.81 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 0.64 0.00 0.00 0.92 0.00 0.00 22 D 8.86 4.69 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 23 K 8.46 4.10 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.53 7.81 24 P 0.00 4.51 0.00 1.97 1.96 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 25 I 8.94 4.20 1.95 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 1.12 0.72 0.92 0.00 0.00 26 L 8.33 4.15 0.00 1.64 1.59 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.76 4.09 1.98 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 1.26 0.97 0.92 0.00 0.00 28 G 7.59 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 29 Q 8.81 5.74 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 30 D 8.35 4.68 0.00 2.79 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 31 D 8.71 4.81 0.00 2.69 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 32 I 7.90 4.30 1.87 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 1.41 0.52 0.91 0.00 0.00 33 V 8.32 3.73 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 0.67 0.00 0.00 1.02 0.00 0.00 34 G 7.99 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 35 R 8.85 4.79 0.00 1.98 1.80 0.00 3.08 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 36 R 8.78 5.01 0.00 1.98 1.78 0.00 3.16 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 37 Q 8.97 5.02 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 38 L 8.78 5.11 0.00 1.61 1.61 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.58 4.57 1.86 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 1.33 1.09 0.89 0.00 0.00 40 P 0.00 4.85 0.00 2.07 1.96 0.00 3.57 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 2.11 2.11 0.00 41 I 8.19 4.47 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.76 0.00 0.00 42 I 8.95 4.09 1.94 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 1.27 0.73 0.91 0.00 0.00 43 S 7.19 4.52 0.00 3.84 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 44 G 7.75 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 0.00 0.00 0.00 0.00 45 K 8.70 5.07 0.00 1.81 1.67 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 46 V 8.66 4.99 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 1.09 0.00 0.00 0.99 0.00 0.00 47 S 9.15 5.45 0.00 3.94 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 48 G 8.41 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.92 4.29 0.00 2.74 2.85 0.00 0.00 7.29 7.79 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 50 N 9.02 4.20 0.00 2.92 2.91 0.00 0.00 6.87 7.45 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 51 F 8.41 4.57 0.00 3.32 2.91 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 0.00 0.00 0.00 52 N 7.80 5.17 0.00 2.77 2.64 0.00 0.00 6.75 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 53 G 8.44 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 0.00 0.00 0.00 0.00 54 K 8.32 5.24 0.00 1.77 1.84 0.00 1.30 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.35 7.81 55 V 8.42 4.34 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 0.87 0.00 0.00 1.01 0.00 0.00 56 L 8.80 4.54 0.00 1.59 1.62 0.92 0.91 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 57 P 0.00 4.34 0.00 2.05 1.99 0.00 3.65 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 58 G 8.98 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 59 G 8.01 4.40 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 0.00 60 I 8.27 5.20 1.93 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 1.27 0.98 0.94 0.00 0.00 61 D 9.15 5.10 0.00 2.71 2.55 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 62 S 8.90 4.80 0.00 3.97 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 63 Q 9.02 5.16 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 64 I 8.64 5.01 1.87 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 1.17 1.81 0.97 0.00 0.00 65 V 8.65 4.54 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 0.72 0.00 0.00 0.91 0.00 0.00 66 R 9.23 4.39 0.00 2.05 1.83 0.00 3.36 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 67 P 0.00 4.30 0.00 2.03 2.13 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 68 D 7.99 4.49 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 70 K 8.30 4.13 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 71 C 9.04 4.96 0.00 2.98 2.82 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 72 E 9.20 5.02 0.00 1.93 1.85 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 0.00 2.26 2.27 0.00 73 L 9.23 5.07 0.00 1.62 1.73 0.93 0.54 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 74 S 9.32 4.85 0.00 3.84 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 75 A 9.15 5.26 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 5.03 0.00 1.86 1.99 0.00 3.25 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 77 Y 8.09 5.31 0.00 3.10 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 78 A 8.68 5.34 1.36 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 79 I 8.87 5.06 1.87 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 1.15 0.47 1.03 0.00 0.00 80 R 8.94 4.81 0.00 1.78 1.73 0.00 3.03 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 81 L 8.69 4.77 0.00 1.39 1.20 -0.49 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.54 4.28 0.00 2.73 2.75 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 0.00 0.00 0.00 83 D 7.94 4.50 0.00 2.81 2.82 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 84 G 8.28 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 85 A 8.17 4.24 1.19 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 0.00 0.00 86 A 8.50 5.12 1.22 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 0.00 0.00 87 I 8.48 4.67 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.42 0.68 0.00 0.00 88 Y 9.07 4.95 0.00 3.17 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 89 I 8.02 4.47 0.87 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 1.22 0.31 0.53 0.00 0.00 90 E 8.36 4.65 0.00 1.80 1.62 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 2.12 2.28 0.00 91 N 8.95 5.20 0.00 2.88 2.74 0.00 0.00 6.57 6.31 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 92 N 8.50 5.38 0.00 2.69 2.68 0.00 0.00 6.31 7.64 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 93 G 8.71 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 94 I 8.55 5.38 1.97 0.00 0.00 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 1.25 0.93 0.96 0.00 0.00 95 R 9.15 5.08 0.00 1.11 1.44 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 96 T 9.36 5.16 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 1.27 0.00 0.00 97 V 8.07 4.71 1.90 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 0.14 0.00 0.00 0.89 0.00 0.00 98 P 0.00 4.45 0.00 2.40 2.06 0.00 3.56 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 99 D 8.80 4.39 0.00 2.73 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 0.00 100 E 8.07 3.90 0.00 1.78 1.88 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 1.60 1.47 0.00 101 Y 7.90 4.43 0.00 2.99 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 0.00 102 I 7.50 3.71 1.97 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 1.53 1.20 0.91 0.00 0.00 103 E 8.19 3.99 0.00 1.96 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 2.38 2.30 0.00 104 A 7.93 4.03 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 0.00 105 V 7.60 4.25 2.22 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 0.90 0.00 0.00 0.98 0.00 0.00 106 K 7.68 4.20 0.00 1.98 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.76 7.81 107 S 7.83 4.45 0.00 4.04 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 0.00 108 G 9.48 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 0.00 109 E 8.06 4.19 0.00 2.03 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 0.00 2.36 2.33 0.00 110 F 8.84 4.19 0.00 2.98 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 0.00 111 V 7.22 3.92 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 -0.07 0.00 0.00 0.86 0.00 0.00 112 D 8.00 4.13 0.00 2.77 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 0.00 113 P 0.00 4.68 0.00 2.33 2.41 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 114 N 8.93 4.57 0.00 2.94 2.90 0.00 0.00 6.96 7.21 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 0.00 115 A 7.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.25 4.53 0.00 3.04 2.86 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 0.00 117 Y 9.06 4.53 0.00 3.10 2.88 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 0.00 118 F 8.32 5.36 0.00 2.90 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 0.00 119 R 8.87 5.12 0.00 1.50 1.55 0.00 3.06 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 120 T 8.66 5.03 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 1.20 0.00 0.00 121 I 8.78 4.83 1.86 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 1.28 1.07 0.97 0.00 0.00 122 P 0.00 4.75 0.00 1.29 2.13 0.00 3.88 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 2.00 2.13 0.00 123 T 8.42 4.38 4.06 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 0.00 0.00 0.00 1.14 0.00 0.00 124 F 8.41 5.42 0.00 2.89 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 0.00 125 E 9.14 4.71 0.00 2.13 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 0.00 1.89 2.16 0.00 126 T 8.05 4.42 4.13 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 0.95 0.00 0.00 127 Y 8.08 4.88 0.00 2.95 2.97 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 0.00 128 S 8.03 4.71 0.00 3.91 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 0.00 129 P 0.00 4.29 0.00 2.22 2.13 0.00 3.69 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 2.14 2.12 0.00 130 K 7.70 3.84 0.00 1.52 1.37 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.68 1.17 7.81 131 Y 7.81 4.64 0.00 2.97 2.65 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 0.00 132 K 8.02 4.11 0.00 1.80 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.62 7.81 133 W 8.47 4.44 0.00 3.72 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.04 3.92 0.00 1.08 1.65 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 135 M 7.89 4.54 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 136 N 8.35 5.17 0.00 2.80 2.80 0.00 0.00 6.70 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 0.00 137 H 8.42 5.04 0.00 3.08 2.98 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.00 4.60 1.89 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 1.39 0.88 0.96 0.00 0.00 139 F 8.90 5.43 0.00 2.96 3.12 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 0.00 0.00 0.00 140 V 9.04 4.63 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 0.68 0.00 0.00 0.92 0.00 0.00 141 C 9.01 4.93 0.00 2.22 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.70 4.70 0.00 2.95 2.72 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 0.00 143 A 8.02 5.41 -0.36 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 0.00 144 S 7.68 4.71 0.00 3.89 3.91 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 0.00 0.00 0.00 145 R 8.45 4.19 0.00 1.81 1.95 0.00 3.17 0.00 0.00 2.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 *149 N 8.40 4.68 0.00 2.74 2.97 0.00 0.00 6.93 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 0.00 150 V 8.21 4.58 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 0.75 0.00 0.00 0.90 0.00 0.00 151 L 8.53 4.93 0.00 1.78 1.52 0.92 0.39 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 0.00 152 L 8.80 4.92 0.00 1.68 1.13 1.04 0.38 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 0.00 153 K 8.72 4.61 0.00 1.65 1.30 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.29 7.81 154 F 8.66 4.89 0.00 1.96 2.53 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 0.00 0.00 0.00 0.00 155 Y 9.25 5.23 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 0.00 156 K 9.36 3.93 0.00 1.97 1.71 0.00 1.33 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.93 7.81 157 I 8.48 4.44 1.95 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 1.35 0.96 0.94 0.00 0.00 158 S 8.94 4.48 0.00 3.69 3.76 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 * Residues marked with a * may have inaccurate shift predictions.