NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 F 4.6066 8.3249 119.0055 56.6092 39.7904 173.5916 9 T 4.4941 8.2178 115.9424 63.4621 69.4984 173.0803 10 K 4.6917 9.9042 127.2397 54.6303 35.5666 174.4729 11 N 5.1132 8.8835 121.6904 51.4903 41.3922 173.3353 12 I 4.7641 8.4110 125.3151 59.4708 40.2169 174.7693 13 F 4.9072 9.6491 127.5758 55.6642 40.5642 174.9107 14 V 4.2458 8.8039 125.6907 62.4320 32.7133 174.4507 15 L 4.7273 9.1534 131.3048 53.5262 43.5909 174.6457 16 D 5.0398 8.2182 126.6378 51.9002 40.5028 175.5245 17 V 3.5325 8.1580 121.3441 65.9115 30.8531 177.2328 18 T 3.9486 7.9362 114.5833 64.0526 68.5931 174.8027 19 A 3.7194 8.0328 123.1910 53.1011 16.6025 178.7485 20 K 4.1610 7.7154 119.0451 60.0366 32.8228 177.8434 21 T 4.5000 8.5886 110.1328 60.3151 71.5422 175.3715 22 L 3.9495 8.7205 123.9078 58.5214 41.9510 178.8944 23 C 4.1559 8.2584 116.2611 63.0736 28.1665 176.2874 24 G 3.6018 8.1553 106.7193 47.8035 0.0000 175.5547 25 A 4.0727 8.1990 123.2280 54.7635 18.2361 179.4332 26 I 3.6098 8.3286 118.5451 64.7382 37.2158 178.3423 27 A 4.0949 8.3693 123.5860 55.8254 18.3075 180.4095 28 K 3.9487 8.5241 122.5357 60.0627 31.5912 181.0749 29 L 4.3519 7.9048 118.8547 56.5330 41.5297 178.4051 30 S 4.5921 7.4940 111.4680 56.7965 62.7276 173.4738 31 S 3.7813 7.9903 114.1703 60.0197 60.8604 172.1835 32 Q 4.7966 8.2219 116.9423 53.3265 31.9685 174.6653 33 P 4.2408 0.0000 0.0000 65.0017 32.0281 176.0170 34 Y 5.1135 7.8956 114.9720 56.0776 41.6371 174.6880 35 C 5.1522 8.8653 122.1631 57.6323 33.9801 172.7138 36 Q 4.2692 9.6585 129.9085 55.9889 30.1019 174.5656 37 I 4.5623 8.9157 128.0662 59.5245 39.6064 174.3026 38 K 4.7170 8.4672 129.9922 54.6741 34.0834 174.9077 39 I 4.5665 9.4926 128.5153 58.0460 39.7054 175.7029 40 G 4.0625 8.2317 113.3787 46.0730 0.0000 172.9523 41 R 3.9232 8.4611 120.4651 58.1836 30.4653 177.4685 42 V 4.2963 7.5662 116.8842 60.7256 33.5503 174.2946 43 V 4.4830 8.1853 126.5577 61.6231 33.2886 174.6360 44 A 4.6078 8.0878 126.8475 50.4213 23.0898 175.2018 45 F 5.3982 8.6288 118.9735 55.7317 42.1819 174.8236 46 K 4.7596 8.9260 123.1942 54.7529 36.1479 173.5878 47 P 5.0259 0.0000 0.0000 63.2024 32.1105 175.8875 48 V 4.8060 9.0301 116.1776 59.5975 36.0923 176.4378 49 K 4.3637 8.9342 121.0522 59.0134 33.1994 176.6911 50 N 4.8192 7.6185 114.6960 50.4493 39.8017 172.1985 51 P 2.9700 0.0000 0.0000 61.9370 32.2282 175.3575 52 E 4.2923 6.6734 117.8267 53.5404 31.4822 173.9304 53 P 4.0258 0.0000 0.0000 64.4781 31.5524 177.1304 54 K 3.7787 8.9542 120.7125 56.5035 30.6798 176.5800 55 G 4.0895 7.9249 107.3042 46.4271 0.0000 172.4850 56 Y 4.9328 9.2140 120.1604 56.5833 40.0301 174.7940 57 V 4.7519 9.0727 124.9212 61.5365 33.5434 174.3338 58 L 4.7428 8.9248 131.7284 53.4066 43.1875 174.2065 59 N 5.0992 8.7912 126.4446 53.0138 39.7181 174.1284 60 V 4.7774 8.5523 119.6866 58.9945 35.1483 174.2909 61 P 4.6293 0.0000 0.0000 62.3192 32.2863 176.7514 62 G 3.8664 7.6983 104.9470 45.3413 0.0000 170.1774 63 P 4.6553 0.0000 0.0000 62.8635 32.1197 176.3135 64 G 3.7377 8.3212 110.7122 46.0368 0.0000 171.3805 65 A 4.7822 7.8552 123.3176 50.8842 20.3678 176.1991 66 Y 5.2273 9.4350 120.4791 56.1515 42.2796 174.5321 67 R 4.8538 9.2929 124.6717 54.5364 32.7572 174.4506 68 I 4.2841 8.8513 128.9593 60.8675 38.4779 175.1791 69 Q 4.5412 8.7953 126.9621 53.8644 29.5473 175.3998 70 D 4.9294 9.1250 127.7762 52.4951 41.8479 176.9059 71 G 4.0513 7.6778 117.8246 46.9114 0.0000 174.3878 72 Q 4.1607 8.8884 124.3006 56.2747 29.2719 175.2282 73 D 4.4501 7.8845 119.1756 54.0912 39.6627 174.9913 74 I 4.8166 8.1474 125.6948 59.4376 40.1869 174.7419 75 I 4.8076 8.5496 128.7197 59.4849 39.9057 174.8214 76 S 4.9519 9.0054 123.7687 56.5782 65.4852 173.2728 77 L 5.4981 9.4056 124.4818 53.3231 45.8404 175.3007 78 M 4.6841 9.6837 123.5356 53.7199 34.1849 174.9372 79 L 4.9691 8.9494 125.0686 53.3363 44.2758 175.9596 80 T 5.0281 8.5339 113.8977 58.8513 71.9657 173.5256 81 P 4.6280 0.0000 0.0000 64.3435 31.3062 177.0527 82 H 4.9093 7.7286 113.2160 54.8641 30.2826 173.5303 83 G 4.0385 7.0853 107.4045 44.9415 0.0000 172.3800 84 V 5.1174 8.2729 118.8425 59.6775 34.2877 174.6287 85 E 4.9671 9.2434 123.7047 54.6672 32.9532 173.9964 86 A 5.5876 8.4427 126.0800 51.6925 22.6084 174.7830 87 T 4.3081 8.1187 111.4912 61.8696 70.5026 173.9778 88 T 4.4699 8.4882 120.3589 62.4269 69.6986 173.8370 89 E 4.5186 7.4703 122.3016 53.5575 31.7912 175.1241 90 R 4.0592 8.2148 121.4783 56.6396 31.1443 176.3848 91 W 5.6829 8.3419 131.6782 56.5829 30.7920 175.7442 92 E 4.1247 8.2348 118.8778 59.3074 30.0372 178.8784 93 E 3.7761 8.1932 118.2172 58.1045 30.2955 177.0194 94 W 5.1399 7.2227 117.7541 54.5178 31.7758 176.1827 95 K 4.3653 8.6556 122.0117 56.2108 32.5022 176.5909 96 F 4.7570 8.3949 120.2656 55.4688 43.5144 173.9351 97 E 4.0795 8.8135 123.5073 55.9699 30.6128 175.9323 98 G 4.1966 8.8060 115.1401 46.0891 0.0000 173.2152 99 V 4.5565 8.4700 120.5259 59.3855 33.5661 176.5746 100 S 4.1672 8.6916 117.5995 59.4013 63.7810 173.3287 101 V 4.7849 8.4642 122.2028 61.5794 33.7430 174.6868 102 T 4.7352 9.0645 126.0225 60.7643 71.1696 172.1774 103 P 4.8726 0.0000 0.0000 63.3732 32.3208 175.7140 104 M 4.9097 9.2366 120.4331 53.5282 36.5342 174.1671 105 A 4.7196 8.6094 124.7268 51.6797 19.7851 176.6360 106 T 4.7177 8.9342 112.2514 60.0886 73.2192 172.7085 107 R 5.1601 8.4499 120.0494 54.4461 32.5201 176.0294 108 V 4.4032 8.6672 122.7835 60.9813 35.5202 174.0372 109 Q 4.7424 8.7043 128.5060 55.6933 29.6228 174.3802 110 Y 4.7423 9.1839 128.2540 56.8475 41.5070 174.9927 111 N 3.9441 9.6283 126.4914 54.4618 36.0186 174.6593 112 G 3.9285 8.2716 99.8509 45.9257 0.0000 172.6099 113 V 4.4924 7.4467 118.9169 60.8949 35.3260 174.1817 114 M 4.8015 8.8245 127.8269 55.5651 32.3122 176.0077 115 V 4.6009 9.1506 123.3303 59.7131 35.5002 174.4482 116 D 5.0324 8.6852 121.9744 54.1515 41.5488 175.7013 117 A 4.6119 8.7220 124.0906 50.3938 23.3785 174.4810 118 E 4.6865 8.6631 121.8875 55.6459 31.4049 175.2304 119 I 4.8205 8.5456 126.5660 59.4029 41.6357 174.7613 120 K 4.6729 8.5370 125.1877 55.0017 33.5928 174.9810 121 Y 4.7219 9.0667 128.6217 57.2141 40.2353 173.9295 122 C 5.6115 8.4900 124.1196 56.7711 31.7721 172.8212 123 K 4.4583 8.4476 126.5308 54.6295 32.8578 175.7072 124 G 4.1667 8.9296 115.9375 45.6214 0.0000 173.2048 125 M 4.4892 10.1542 122.4518 54.4667 33.2199 176.5688 126 G 3.8553 8.6393 106.7522 46.7113 0.0000 174.3996 127 I 4.0086 8.0274 111.9006 60.7048 38.7024 175.3635 128 V 4.1773 7.1153 121.5200 60.7342 33.2992 174.6317 129 Q 4.2081 8.4094 126.3696 54.9445 28.0928 174.7022 130 P 3.7128 0.0000 0.0000 64.0734 31.9556 175.9265 131 Y 2.3900 6.6305 116.6408 58.7955 35.4652 170.4496 132 M 4.4822 6.9515 117.0691 54.2152 33.4916 177.0162 133 R 4.2753 8.7984 123.6655 55.6930 30.8733 177.1754 134 N 4.6632 8.3882 125.2294 51.9828 36.6445 172.1682 135 D 4.2751 7.1714 118.0412 52.5150 42.9088 174.3914 136 F 4.9345 8.2178 117.6131 55.5720 40.0585 175.6272 137 D 4.5981 9.1650 125.7243 53.8328 41.6524 177.1592 138 R 3.9762 8.7434 124.5698 59.6795 30.3770 178.7999 139 N 4.5528 8.0786 114.6877 54.7948 37.9229 181.5774 140 E 4.4476 8.0544 113.7288 56.1393 29.8710 175.9241 141 M 3.6014 7.3713 119.1887 54.9389 32.3398 174.3456 142 P 4.1921 0.0000 0.0000 62.4293 32.1611 175.5078 143 D 4.6855 8.3526 122.0491 53.1337 41.9475 176.0862 144 L 4.7543 8.0924 123.1889 51.8340 45.1927 174.2920 145 P 4.3625 0.0000 0.0000 64.1763 31.6640 176.5143 146 G 3.7793 8.8023 109.1553 45.9195 0.0000 173.2637 147 V 4.1214 7.7041 119.5519 61.1389 31.8281 175.4418 148 M 4.4314 8.2394 126.9567 53.9178 33.2174 176.5542 149 R 4.0450 8.2362 119.1980 56.4238 30.8052 176.3688 150 S 4.7456 8.1603 115.5291 56.3440 64.4411 174.0306 151 N 4.3181 8.3459 123.5839 55.8576 38.5923 175.2967 152 Y 4.6936 7.2734 116.7514 57.4177 39.4486 176.1936 153 D 4.7285 8.4437 124.8524 54.6305 42.2113 177.5824 154 I 3.9319 8.3969 120.1864 66.0344 37.9028 178.6272 155 R 3.9908 8.1296 123.2446 62.3265 29.0800 180.8257 156 E 4.2266 7.5618 116.5780 59.8273 29.7184 180.1219 157 L 4.5087 7.4067 117.7666 57.1513 42.3967 176.7697 158 R 4.0777 7.1985 118.0602 56.2569 30.1210 175.1977 159 Q 4.3227 8.1894 126.3587 56.2429 30.6830 175.8351 *160 K 4.1243 8.4463 118.6307 55.6960 32.5088 171.5492 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 F 8.32 4.61 0.00 2.32 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 0.00 0.00 0.00 0.00 9 T 8.22 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 1.22 0.00 0.00 10 K 9.90 4.69 0.00 1.52 1.61 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.44 7.81 11 N 8.88 5.11 0.00 2.70 2.34 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 12 I 8.41 4.76 1.74 0.00 0.00 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 1.06 0.76 0.88 0.00 0.00 13 F 9.65 4.91 0.00 2.87 2.85 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 0.00 0.00 0.00 14 V 8.80 4.25 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 0.90 0.00 0.00 0.96 0.00 0.00 15 L 9.15 4.73 0.00 1.93 1.62 0.53 0.99 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 16 D 8.22 5.04 0.00 2.78 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 17 V 8.16 3.53 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 0.83 0.00 0.00 0.88 0.00 0.00 18 T 7.94 3.95 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 1.24 0.00 0.00 19 A 8.03 3.72 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 20 K 7.72 4.16 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 21 T 8.59 4.50 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 1.32 0.00 0.00 22 L 8.72 3.95 0.00 1.75 1.73 0.92 0.92 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 23 C 8.26 4.16 0.00 3.05 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 24 G 8.16 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 0.00 0.00 0.00 25 A 8.20 4.07 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 26 I 8.33 3.61 2.16 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 1.48 1.37 0.97 0.00 0.00 27 A 8.37 4.09 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 28 K 8.52 3.95 0.00 1.72 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 29 L 7.90 4.35 0.00 1.73 1.77 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.49 4.59 0.00 3.83 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 31 S 7.99 3.78 0.00 4.05 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 32 Q 8.22 4.80 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 33 P 0.00 4.24 0.00 1.46 1.97 0.00 4.00 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 2.19 1.98 0.00 34 Y 7.90 5.11 0.00 3.21 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 35 C 8.87 5.15 0.00 3.24 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 36 Q 9.66 4.27 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.53 0.00 0.00 0.00 0.00 0.00 2.05 1.48 0.00 37 I 8.92 4.56 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.83 0.00 0.00 38 K 8.47 4.72 0.00 1.66 1.54 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.35 7.81 39 I 9.49 4.57 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.45 0.82 0.00 0.00 40 G 8.23 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 0.00 0.00 0.00 0.00 41 R 8.46 3.92 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 42 V 7.57 4.30 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 0.84 0.00 0.00 0.92 0.00 0.00 43 V 8.19 4.48 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 0.59 0.00 0.00 0.87 0.00 0.00 44 A 8.09 4.61 1.09 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 45 F 8.63 5.40 0.00 2.89 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 46 K 8.93 4.76 0.00 1.87 1.93 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.52 7.81 47 P 0.00 5.03 0.00 2.17 2.18 0.00 3.79 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 2.05 2.05 0.00 48 V 9.03 4.81 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 1.04 0.00 0.00 1.24 0.00 0.00 49 K 8.93 4.36 0.00 1.93 2.20 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 50 N 7.62 4.82 0.00 2.66 2.77 0.00 0.00 6.06 7.75 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 51 P 0.00 2.97 0.00 1.54 1.17 0.00 3.36 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 52 E 6.67 4.29 0.00 2.12 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 2.50 2.32 0.00 53 P 0.00 4.03 0.00 1.61 1.76 0.00 2.63 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.76 0.00 54 K 8.95 3.78 0.00 1.79 1.89 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.45 7.81 55 G 7.92 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 56 Y 9.21 4.93 0.00 2.97 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 57 V 9.07 4.75 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 1.35 0.00 0.00 0.96 0.00 0.00 58 L 8.92 4.74 0.00 1.75 1.51 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.79 5.10 0.00 3.03 2.61 0.00 0.00 6.76 8.06 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 60 V 8.55 4.78 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 -0.17 0.00 0.00 0.83 0.00 0.00 61 P 0.00 4.63 0.00 2.21 2.19 0.00 4.03 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 2.02 2.12 0.00 62 G 7.70 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 63 P 0.00 4.66 0.00 1.94 2.07 0.00 3.82 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 2.12 0.00 64 G 8.32 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 65 A 7.86 4.78 0.64 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 66 Y 9.44 5.23 0.00 2.88 2.83 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 67 R 9.29 4.85 0.00 1.79 1.72 0.00 2.99 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.00 68 I 8.85 4.28 1.61 0.00 0.00 0.67 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 0.48 0.80 0.00 0.00 69 Q 8.80 4.54 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.36 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 70 D 9.13 4.93 0.00 2.89 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 71 G 7.68 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 72 Q 8.89 4.16 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 73 D 7.88 4.45 0.00 3.03 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 74 I 8.15 4.82 1.81 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 1.31 1.34 0.82 0.00 0.00 75 I 8.55 4.81 1.60 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.42 0.81 0.00 0.00 76 S 9.01 4.95 0.00 3.83 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 77 L 9.41 5.50 0.00 1.74 1.67 1.01 0.74 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 78 M 9.68 4.68 0.00 1.35 1.94 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.27 0.00 79 L 8.95 4.97 0.00 1.79 1.67 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.53 5.03 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 1.33 0.00 0.00 81 P 0.00 4.63 0.00 1.77 2.06 0.00 3.61 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 82 H 7.73 4.91 0.00 3.10 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.09 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 84 V 8.27 5.12 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 0.68 0.00 0.00 1.10 0.00 0.00 85 E 9.24 4.97 0.00 2.35 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 2.34 2.40 0.00 86 A 8.44 5.59 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 87 T 8.12 4.31 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 0.94 0.00 0.00 88 T 8.49 4.47 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 1.15 0.00 0.00 89 E 7.47 4.52 0.00 1.81 1.76 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 2.19 2.22 0.00 90 R 8.21 4.06 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 91 W 8.34 5.68 0.00 3.42 3.13 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 92 E 8.23 4.12 0.00 1.97 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 2.34 2.46 0.00 93 E 8.19 3.78 0.00 1.16 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 2.14 2.23 0.00 94 W 7.22 5.14 0.00 2.16 2.27 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 95 K 8.66 4.37 0.00 1.41 1.59 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.29 7.81 96 F 8.39 4.76 0.00 2.80 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 97 E 8.81 4.08 0.00 1.98 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 2.38 2.30 0.00 98 G 8.81 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 0.00 0.00 0.00 0.00 99 V 8.47 4.56 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 1.00 0.00 0.00 0.94 0.00 0.00 100 S 8.69 4.17 0.00 3.93 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 0.00 101 V 8.46 4.78 2.14 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 0.95 0.00 0.00 1.06 0.00 0.00 102 T 9.06 4.74 4.41 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 1.26 0.00 0.00 103 P 0.00 4.87 0.00 2.05 2.16 0.00 3.73 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 1.99 2.01 0.00 104 M 9.24 4.91 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 105 A 8.61 4.72 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 0.00 106 T 8.93 4.72 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 1.16 0.00 0.00 107 R 8.45 5.16 0.00 1.66 1.84 0.00 3.14 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 108 V 8.67 4.40 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 0.90 0.00 0.00 0.84 0.00 0.00 109 Q 8.70 4.74 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 110 Y 9.18 4.74 0.00 2.84 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 0.00 111 N 9.63 3.94 0.00 2.52 2.60 0.00 0.00 7.17 7.65 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 0.00 112 G 8.27 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 0.00 113 V 7.45 4.49 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 0.77 0.00 0.00 0.92 0.00 0.00 114 M 8.82 4.80 0.00 1.94 2.01 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 2.60 2.49 0.00 115 V 9.15 4.60 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 0.77 0.00 0.00 0.98 0.00 0.00 116 D 8.69 5.03 0.00 2.57 2.62 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 0.00 117 A 8.72 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.66 4.69 0.00 2.00 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 2.26 2.28 0.00 119 I 8.55 4.82 1.82 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 1.11 0.66 0.94 0.00 0.00 120 K 8.54 4.67 0.00 1.26 1.65 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.60 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.01 0.52 7.81 121 Y 9.07 4.72 0.00 3.08 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 0.00 122 C 8.49 5.61 0.00 2.80 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 0.00 123 K 8.45 4.46 0.00 1.70 1.71 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.56 7.81 124 G 8.93 4.17 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 0.00 125 M 10.15 4.49 0.00 2.01 2.29 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 2.60 2.66 0.00 126 G 8.64 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 0.00 0.00 0.00 127 I 8.03 4.01 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 1.45 0.64 0.92 0.00 0.00 128 V 7.12 4.18 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 0.66 0.00 0.00 0.88 0.00 0.00 129 Q 8.41 4.21 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 130 P 0.00 3.71 0.00 2.14 1.67 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 131 Y 6.63 2.39 0.00 2.72 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 0.00 0.00 0.00 132 M 6.95 4.48 0.00 1.85 1.85 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 2.45 2.59 0.00 133 R 8.80 4.28 0.00 1.69 1.75 0.00 3.03 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.71 0.00 134 N 8.39 4.66 0.00 2.64 2.83 0.00 0.00 6.98 8.51 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 0.00 135 D 7.17 4.28 0.00 2.66 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 0.00 136 F 8.22 4.93 0.00 3.07 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 0.00 137 D 9.16 4.60 0.00 2.94 2.57 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 0.00 138 R 8.74 3.98 0.00 1.85 2.01 0.00 3.25 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 139 N 8.08 4.55 0.00 2.67 2.81 0.00 0.00 6.61 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 0.00 140 E 8.05 4.45 0.00 2.20 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 2.33 2.57 0.00 141 M 7.37 3.60 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 142 P 0.00 4.19 0.00 1.87 1.76 0.00 3.07 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 143 D 8.35 4.69 0.00 2.59 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 0.00 144 L 8.09 4.75 0.00 1.62 1.49 0.90 1.06 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 0.00 145 P 0.00 4.36 0.00 2.03 1.99 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 146 G 8.80 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 0.00 147 V 7.70 4.12 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 0.82 0.00 0.00 0.99 0.00 0.00 148 M 8.24 4.43 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 149 R 8.24 4.05 0.00 1.77 1.82 0.00 3.14 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 150 S 8.16 4.75 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 0.00 151 N 8.35 4.32 0.00 1.97 2.45 0.00 0.00 6.96 7.46 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 0.00 152 Y 7.27 4.69 0.00 2.99 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 0.00 153 D 8.44 4.73 0.00 2.68 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 0.00 154 I 8.40 3.93 1.89 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 1.49 1.03 0.89 0.00 0.00 155 R 8.13 3.99 0.00 1.85 1.93 0.00 3.30 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 156 E 7.56 4.23 0.00 2.19 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 2.26 2.18 0.00 157 L 7.41 4.51 0.00 1.89 1.89 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.20 4.08 0.00 1.96 1.87 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 159 Q 8.19 4.32 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 *160 K 8.45 4.12 0.00 1.75 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.