NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2866 8.2229 123.5821 52.4824 20.9200 179.3506 *4 Y 3.9959 8.1115 117.4353 62.2381 36.4778 179.7370 5 K 4.2829 8.2844 126.3297 60.7051 32.3543 180.8344 *6 Y 4.2570 7.9604 124.4593 62.3929 36.6253 180.7230 7 L 4.1949 8.0538 125.5498 60.6281 40.4974 181.4992 8 E 4.2158 8.3937 121.1215 62.3205 29.4093 181.3070 9 E 4.3746 8.4924 119.8452 59.5360 30.2038 181.3648 10 L 4.5526 7.8744 125.1235 60.9012 41.2479 184.5423 11 Q 4.5260 8.1089 120.5864 58.6272 28.0236 179.6683 12 R 4.2501 7.5712 120.3425 59.1028 29.7759 182.5741 13 K 4.3956 7.7200 120.2331 53.8301 31.3391 182.3071 14 K 4.4292 8.3061 129.8910 54.3727 34.8710 178.6613 15 Q 3.1019 9.1492 119.2749 57.6082 26.9850 173.3065 16 S 3.7260 10.0030 113.9289 61.4301 58.2263 176.1926 17 D 4.1609 7.8627 123.3912 54.8892 40.7129 176.1748 18 V 3.7548 8.3632 123.8509 66.7300 32.6788 180.8698 19 L 4.3577 8.1614 125.2844 60.6599 40.4006 181.3302 20 R 4.4807 8.3413 122.9672 60.6662 29.3441 181.8678 *21 F 4.2378 8.1703 125.5502 61.6279 38.6103 179.6720 22 L 4.6581 8.1828 122.9132 60.2416 41.5204 184.7543 23 Q 4.2687 8.2988 124.1193 61.0495 27.8457 182.1079 24 R 4.2649 8.0982 122.6379 62.0899 29.4391 183.4355 25 V 3.8588 7.9030 121.8076 67.4186 31.8710 180.7410 26 R 4.1377 8.4885 122.4757 62.6047 29.1936 181.5446 27 V 3.9085 8.4731 121.1947 66.6902 31.5758 181.5284 *28 W 4.3700 8.6228 124.8586 59.8494 28.3567 179.8835 29 E 4.0955 10.0552 119.6996 61.5346 28.0411 185.0000 *30 Y 3.6400 8.9821 114.7176 59.1964 40.1778 180.8417 31 R 3.9084 8.1418 120.8527 59.7986 29.9908 180.9711 32 Q 4.3298 8.1386 125.1259 53.5896 26.8941 178.3986 33 K 4.5225 8.3433 131.0500 54.4716 34.4306 171.6648 34 N 4.2636 7.5382 128.2367 53.8123 39.7382 177.5641 35 V 2.5875 7.8302 114.9601 60.0535 33.5826 174.2742 36 I 4.6181 8.7093 113.4593 60.9299 37.5253 179.2066 *37 H 4.9252 9.2599 120.6713 53.5285 29.1379 174.0637 38 R 3.5867 8.4816 121.0685 56.0980 30.8037 177.2945 39 A 4.1710 7.9374 121.1277 51.8318 19.6475 175.0530 40 A 4.5336 7.6148 123.9242 52.5420 21.8358 178.6680 41 R 4.2731 8.0216 112.9865 55.3130 31.3941 173.2479 42 P 4.0104 0.0000 0.0000 62.9497 26.6481 177.1350 43 T 3.6794 7.9351 117.6893 62.4215 68.7038 173.5103 44 R 4.4664 7.6824 130.5038 54.6580 29.8059 177.9509 45 P 4.4262 0.0000 0.0000 62.9572 33.1406 177.1067 46 D 4.4803 8.2405 114.7936 57.8446 37.3113 184.9302 47 K 4.2033 9.3216 119.0153 57.9845 32.1767 179.8260 48 A 4.3745 8.0568 127.5664 56.8913 17.9329 181.4638 49 R 4.0575 7.8038 120.5657 62.2510 29.2046 181.4181 50 R 4.4334 7.1399 120.3558 60.6643 30.1316 179.1990 51 L 4.5134 7.3102 120.5515 53.5634 40.2503 179.4203 52 G 3.8014 8.7438 121.8655 49.3888 0.0000 172.1963 *53 Y 3.7607 7.9632 122.7771 55.3597 39.1750 183.3462 54 K 4.1338 8.7886 117.6800 58.0340 33.8549 175.7596 55 A 3.8579 7.1065 129.2057 50.6159 16.7173 177.3079 56 K 4.6489 7.9185 129.8477 54.4831 36.6624 176.6706 57 Q 4.4760 8.6935 123.9428 53.4917 29.2585 170.7060 58 G 4.4097 8.9707 118.6710 43.6104 0.0000 173.3679 *59 F 4.6798 7.4956 122.9735 56.1061 40.4648 176.0253 60 V 4.9610 7.4525 132.1197 61.7232 34.0965 172.5883 61 I 4.6690 7.5304 128.9137 59.0337 38.8255 171.3291 *62 Y 4.7627 8.3978 131.0923 56.6303 38.8451 172.7679 63 R 5.0446 8.4824 121.8187 56.4314 33.5596 176.8263 64 V 4.8412 8.2830 121.2906 60.8257 36.1407 175.2319 65 R 4.3963 8.6177 128.8563 55.6220 29.7192 175.9167 66 V 4.0141 8.3978 125.2444 59.7205 33.1888 172.6866 67 R 4.6353 8.2311 117.4494 56.5983 31.2074 174.1988 68 R 4.3991 8.1549 120.3839 54.4115 31.4161 173.4132 69 G 4.0618 8.5456 101.1943 46.6844 0.0000 172.1891 70 N 5.1030 8.6489 121.7986 52.5108 39.2786 171.1035 71 R 4.5959 8.1529 117.7247 56.7545 31.2267 174.7596 72 K 4.2131 8.5351 127.9068 53.3015 30.1446 172.9999 73 R 4.1366 8.2022 124.4114 55.0421 28.6715 175.2219 74 P 4.4943 0.0000 0.0000 61.6070 31.3356 173.0969 75 V 4.0918 8.7673 117.7279 63.9726 28.6906 166.7546 76 P 4.7335 0.0000 0.0000 61.6717 30.4754 176.4737 77 K 4.5101 7.7710 113.0270 55.0666 31.6164 181.6710 78 G 4.3284 7.8853 105.5507 44.9566 0.0000 173.7918 79 A 5.0327 8.2427 134.5057 53.2915 21.3086 176.0567 80 T 3.1521 8.3600 118.7430 62.1459 67.0044 174.4046 *81 Y 4.2581 8.4428 124.6674 56.0590 37.2373 172.7459 82 G 4.1832 8.3844 107.7255 46.0171 0.0000 171.6614 83 K 4.3662 8.6063 127.3451 52.1582 34.7426 170.9791 84 P 4.2659 0.0000 0.0000 63.4800 29.0806 177.8335 85 T 4.0049 7.9276 112.9989 63.7373 70.3675 177.2104 86 N 4.2546 9.4982 127.2645 52.5724 36.0228 173.5945 87 Q 4.0368 9.5443 116.4865 58.5671 29.1373 180.9705 88 G 3.8745 7.8010 107.3367 46.5931 0.0000 173.2237 89 V 4.4847 7.9295 119.7542 62.3808 37.6111 177.7126 90 N 4.5044 8.3960 120.3361 55.2512 37.5625 178.3079 91 E 4.7790 7.6862 113.3762 55.8949 31.3964 179.7503 92 L 4.2508 8.1069 121.9598 55.7494 41.6028 179.6322 93 K 4.7862 8.3338 122.6449 53.6167 34.2801 177.3387 *94 Y 4.2259 8.4729 124.7042 56.1383 36.8285 175.0541 95 Q 4.2594 8.9556 127.3830 56.9842 29.6055 175.1117 96 R 3.3095 7.2628 109.5411 59.6739 29.2083 181.8833 97 S 4.8458 10.2196 124.5243 64.6700 63.4632 182.7074 98 L 3.2461 6.6297 127.3818 56.8845 43.5058 180.6926 99 R 3.9772 7.6410 121.9995 61.2458 29.4901 180.0237 100 A 4.1100 9.4596 122.8911 56.7334 18.2281 180.4922 101 T 3.7979 7.7650 110.5014 65.9409 68.8740 178.0516 102 A 4.2687 8.0425 126.4033 55.6796 18.3761 180.1957 103 E 4.0174 8.8508 119.4603 62.1767 29.7868 181.3619 104 E 4.2245 8.2277 121.5437 61.2866 29.8306 181.3196 105 R 4.2076 8.3219 123.4407 62.2388 29.3215 181.7143 106 V 3.9222 7.4387 118.8218 66.1234 31.7970 179.9325 107 G 4.1356 8.1436 108.7433 48.5030 0.0000 175.9945 108 R 4.0100 7.9992 125.3480 61.7790 29.6036 181.6138 109 R 4.3778 8.3870 119.3900 58.0165 29.4551 178.2281 110 A 5.1978 6.9512 128.2100 53.4143 22.3042 176.2980 111 A 4.7358 7.8828 129.6539 52.7644 19.7605 178.8905 112 N 4.2227 8.5496 121.6707 56.7765 37.9157 177.5818 113 L 5.1147 7.1314 120.5030 54.3104 44.2223 180.8660 114 R 4.7735 8.4854 116.0024 57.7870 34.0412 171.0494 115 V 4.7665 8.3906 123.4918 59.7740 32.6439 176.2271 116 L 4.1403 8.1024 127.0721 55.8895 41.4142 174.4711 117 N 4.3180 7.1821 116.6794 52.5799 40.7467 175.4027 118 S 5.2325 8.6728 116.2811 59.0950 66.0566 172.5452 *119 Y 4.6874 8.8216 126.5257 55.3152 39.9732 176.5755 *120 W 4.3264 8.6216 126.9233 59.5534 29.4731 175.8731 121 V 4.6685 8.2028 122.8896 62.6401 33.4683 168.2401 122 N 4.4579 6.8825 120.1036 53.6547 40.0001 179.1963 123 Q 4.7745 8.1737 118.4598 55.3841 31.8662 176.0209 124 D 4.8357 8.6232 128.0687 52.6439 41.7222 173.3633 125 S 4.7433 8.7325 114.6053 60.9363 63.4025 170.8549 126 T 4.8525 8.3735 113.4941 60.1969 69.7190 179.1782 *127 Y 4.5142 7.3039 122.6635 59.6998 42.1287 175.0715 128 K 4.1877 7.8952 120.1330 57.3541 34.6519 172.6387 *129 Y 4.3864 9.2267 132.4561 56.6225 34.8694 172.9689 *130 F 4.7269 8.2017 127.9217 57.0475 40.8228 175.6353 131 E 4.8564 9.7620 120.9442 55.9443 33.4466 176.8618 132 V 4.7221 8.5907 126.5448 59.9689 34.8105 172.4330 133 I 4.5267 8.4525 123.1525 61.5348 39.5895 176.9481 134 L 5.1976 8.5551 124.0450 56.1840 45.6431 174.9114 135 V 3.6870 9.7557 122.2947 63.0881 31.6301 174.2676 136 D 5.0204 8.6381 130.8138 55.0196 39.3556 173.3433 137 P 4.2801 0.0000 0.0000 66.1790 32.3711 180.8654 138 Q 4.5685 7.8962 119.8594 54.6091 27.2775 176.8602 *139 H 4.5806 7.4665 124.4916 55.2757 33.1252 174.3289 140 K 4.7783 8.2230 122.2915 55.2270 30.1969 176.5079 141 A 4.0413 9.5141 124.2609 58.1886 17.8713 181.7821 142 I 3.5231 7.2046 115.6822 63.2785 36.1335 180.3285 143 R 4.5000 7.8362 119.4567 56.9194 30.9611 179.5128 144 R 4.0170 7.6767 117.5712 59.7003 29.4354 183.1338 145 D 4.7425 6.8322 119.7561 53.1181 40.0449 180.8237 146 A 4.6155 7.7248 125.8286 52.6766 16.4113 179.8362 147 R 4.2720 7.8390 118.9989 57.7105 30.1788 179.0844 *148 Y 4.7146 7.9757 115.6085 57.2383 39.6830 182.1025 149 N 4.4606 8.5288 122.9222 57.7693 37.1617 181.2245 *150 W 4.3532 8.5104 126.7044 63.8489 28.0359 183.7626 151 I 4.0490 7.9099 123.3552 65.8848 34.8835 180.5458 152 C 4.5796 7.5672 119.6810 63.0203 28.1136 178.3293 153 D 4.6341 7.7116 121.6189 52.4386 39.5015 176.4943 154 P 3.8588 0.0000 0.0000 69.0555 30.8382 178.1313 155 V 3.7795 8.0611 119.0365 64.9886 32.5863 178.7646 *156 H 4.2952 7.9283 123.1447 53.4991 27.1073 176.7605 157 K 4.2659 8.2315 126.2710 55.3825 35.5290 177.6545 *158 H 4.2932 8.7858 115.3465 57.2596 26.8023 178.6227 159 R 4.2064 8.4222 115.6872 58.5917 28.7719 184.6638 160 E 4.2754 8.0772 113.3248 55.5187 29.0586 182.4177 161 A 5.6379 9.9153 135.0000 54.7643 21.6194 179.4624 162 R 4.1437 7.5389 115.7829 57.1741 30.0505 180.5394 163 G 4.1866 8.6130 110.1330 48.0930 0.0000 176.2635 164 L 4.3328 7.8213 121.9636 55.1650 37.9028 177.0874 165 T 4.4889 6.4925 110.8332 59.6223 73.2587 175.5962 166 A 4.4020 7.4695 131.4338 52.9351 22.7395 179.7243 167 T 4.1623 7.4670 111.2810 65.5824 68.3533 179.1593 168 G 3.9831 8.0561 108.7277 48.6203 0.0000 176.2531 169 K 4.1236 8.2715 128.5108 59.7181 31.2730 181.4845 170 K 4.3881 7.8270 124.8873 60.1648 33.1320 183.2690 171 S 4.7375 8.9237 119.5576 56.9626 60.9310 175.3160 172 R 4.5831 6.9859 126.7503 56.3489 36.4079 176.8824 173 G 4.9791 6.2095 121.3809 46.2190 0.0000 172.7535 174 I 4.4864 7.3688 125.3236 60.3862 37.0785 177.8371 175 N 4.1978 7.9844 121.7585 51.5124 37.2489 179.0008 176 K 3.9522 8.4809 124.4633 56.2488 31.0577 179.5137 177 G 3.9186 8.4418 113.5464 45.3638 0.0000 173.0995 *178 H 3.8996 8.5484 114.3575 53.8488 24.5546 174.1484 179 K 4.3457 6.6817 128.0015 55.5223 35.3726 176.6948 *180 F 4.8846 8.4652 116.0141 57.9832 39.0696 176.8697 181 N 5.1961 7.7949 122.3504 51.9281 38.5184 177.8110 182 N 5.1775 7.9443 113.8085 53.2187 41.0837 176.7941 183 T 4.6922 7.9377 112.5224 61.5267 71.4931 181.5702 184 K 3.4722 8.5782 123.7633 53.5942 31.1909 178.8662 185 A 3.4083 9.9761 118.6183 52.4749 18.1272 178.3442 186 G 3.9953 9.3073 109.6950 45.1556 0.0000 174.9635 187 R 4.8172 7.2296 115.9298 52.7423 32.2979 180.6041 188 R 3.8583 9.1286 117.0818 57.2590 26.8231 179.5754 189 K 4.1317 7.7648 125.2237 55.9036 32.5433 176.8338 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 3 A 8.22 4.29 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 *4 Y 8.11 4.00 0.00 2.41 2.36 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 5 K 8.28 4.28 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *6 Y 7.96 4.26 0.00 2.35 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 7 L 8.05 4.19 0.00 1.64 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.39 4.22 0.00 1.98 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 2.23 0.00 9 E 8.49 4.37 0.00 2.07 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 2.26 2.19 0.00 10 L 7.87 4.55 0.00 1.66 1.69 0.92 0.84 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 11 Q 8.11 4.53 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 12 R 7.57 4.25 0.00 1.67 1.87 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 13 K 7.72 4.40 0.00 1.76 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.22 7.81 14 K 8.31 4.43 0.00 1.77 1.67 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 15 Q 9.15 3.10 0.00 2.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.01 0.00 0.00 0.00 0.00 0.00 2.27 1.90 0.00 16 S 10.00 3.73 0.00 3.71 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 17 D 7.86 4.16 0.00 2.66 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 18 V 8.36 3.75 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 0.90 0.00 0.00 0.93 0.00 0.00 19 L 8.16 4.36 0.00 1.64 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.34 4.48 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.20 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 *21 F 8.17 4.24 0.00 2.40 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 22 L 8.18 4.66 0.00 1.63 1.68 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.30 4.27 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 24 R 8.10 4.26 0.00 1.81 1.92 0.00 3.25 0.00 0.00 3.37 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 25 V 7.90 3.86 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 0.93 0.00 0.00 0.93 0.00 0.00 26 R 8.49 4.14 0.00 1.80 1.94 0.00 3.26 0.00 0.00 3.20 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 27 V 8.47 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 *28 W 8.62 4.37 0.00 2.54 2.24 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 29 E 10.06 4.10 0.00 1.92 1.69 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 2.21 2.18 0.00 *30 Y 8.98 3.64 0.00 2.37 2.24 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 31 R 8.14 3.91 0.00 1.85 1.84 0.00 3.23 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 1.58 1.51 0.00 32 Q 8.14 4.33 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.52 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 33 K 8.34 4.52 0.00 1.72 1.61 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.10 0.82 7.81 34 N 7.54 4.26 0.00 2.90 2.74 0.00 0.00 6.92 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.83 2.59 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 0.66 0.00 0.00 0.93 0.00 0.00 36 I 8.71 4.62 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 1.27 1.13 0.91 0.00 0.00 *37 H 9.26 4.93 0.00 2.81 2.83 0.00 7.21 0.00 0.00 0.00 0.00 6.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.48 3.59 0.00 1.83 1.75 0.00 3.24 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 39 A 7.94 4.17 1.41 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 0.00 0.00 40 A 7.61 4.53 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 41 R 8.02 4.27 0.00 1.78 1.73 0.00 3.37 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.00 42 P 0.00 4.01 0.00 2.26 2.04 0.00 3.73 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 1.82 1.57 0.00 43 T 7.94 3.68 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 44 R 7.68 4.47 0.00 1.71 1.87 0.00 3.21 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 45 P 0.00 4.43 0.00 1.99 2.07 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 46 D 8.24 4.48 0.00 2.47 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.32 4.20 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 48 A 8.06 4.37 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.06 0.00 1.92 1.96 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 50 R 7.14 4.43 0.00 1.87 1.93 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 51 L 7.31 4.51 0.00 1.67 1.50 0.92 0.96 0.00 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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 1.78 1.50 0.00 77 K 7.77 4.51 0.00 1.72 0.98 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.96 7.81 78 G 7.89 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 0.00 0.00 0.00 0.00 79 A 8.24 5.03 1.28 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 80 T 8.36 3.15 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 *81 Y 8.44 4.26 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 82 G 8.38 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 0.00 0.00 0.00 83 K 8.61 4.37 0.00 1.72 1.42 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.98 7.81 84 P 0.00 4.27 0.00 2.15 1.94 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 118 S 8.67 5.23 0.00 3.33 3.59 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 *119 Y 8.82 4.69 0.00 1.95 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 0.00 0.00 0.00 *120 W 8.62 4.33 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.20 4.67 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 0.78 0.00 0.00 0.93 0.00 0.00 122 N 6.88 4.46 0.00 2.71 2.75 0.00 0.00 6.80 7.51 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 0.00 123 Q 8.17 4.77 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 124 D 8.62 4.84 0.00 2.69 2.51 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 0.00 125 S 8.73 4.74 0.00 3.61 3.77 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 0.00 126 T 8.37 4.85 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 *127 Y 7.30 4.51 0.00 2.44 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 0.00 128 K 7.90 4.19 0.00 1.47 1.59 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 0.90 7.81 *129 Y 9.23 4.39 0.00 2.04 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 0.00 0.00 0.00 0.00 *130 F 8.20 4.73 0.00 1.96 2.18 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 0.00 131 E 9.76 4.86 0.00 1.53 1.79 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 2.13 2.11 0.00 132 V 8.59 4.72 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 0.63 0.00 0.00 0.93 0.00 0.00 133 I 8.45 4.53 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 1.09 0.64 0.91 0.00 0.00 134 L 8.56 5.20 0.00 1.27 1.11 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 135 V 9.76 3.69 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 0.62 0.00 0.00 0.93 0.00 0.00 136 D 8.64 5.02 0.00 2.68 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 0.00 137 P 0.00 4.28 0.00 2.10 1.95 0.00 3.72 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 1.94 1.65 0.00 138 Q 7.90 4.57 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.64 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *139 H 7.47 4.58 0.00 2.87 2.67 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.22 4.78 0.00 1.67 0.97 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 0.99 7.81 141 A 9.51 4.04 1.32 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 0.00 0.00 142 I 7.20 3.52 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 1.27 0.68 0.91 0.00 0.00 143 R 7.84 4.50 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 144 R 7.68 4.02 0.00 1.83 1.67 0.00 3.24 0.00 0.00 3.26 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 145 D 6.83 4.74 0.00 2.65 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 0.00 146 A 7.72 4.62 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.27 0.00 1.84 1.84 0.00 3.23 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *148 Y 7.98 4.71 0.00 2.14 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 0.00 0.00 0.00 0.00 149 N 8.53 4.46 0.00 2.72 2.87 0.00 0.00 6.91 7.96 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 *150 W 8.51 4.35 0.00 2.47 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.91 4.05 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 1.50 1.09 0.91 0.00 0.00 152 C 7.57 4.58 0.00 2.85 2.87 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 0.00 153 D 7.71 4.63 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 P 0.00 3.86 0.00 2.08 1.85 0.00 3.72 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 1.95 1.63 0.00 155 V 8.06 3.78 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 0.86 0.00 0.00 0.93 0.00 0.00 *156 H 7.93 4.30 0.00 2.92 2.96 0.00 7.21 0.00 0.00 0.00 0.00 6.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.23 4.27 0.00 1.61 1.62 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.89 7.81 *158 H 8.79 4.29 0.00 2.98 3.15 0.00 7.16 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.42 4.21 0.00 1.68 1.94 0.00 3.25 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 160 E 8.08 4.28 0.00 1.99 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 2.27 2.15 0.00 161 A 9.92 5.64 1.32 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 0.00 0.00 162 R 7.54 4.14 0.00 1.85 1.84 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 163 G 8.61 4.19 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 0.00 164 L 7.82 4.33 0.00 1.68 1.52 0.92 0.71 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 0.00 165 T 6.49 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 1.21 0.00 0.00 166 A 7.47 4.40 1.26 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 0.00 167 T 7.47 4.16 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 0.00 168 G 8.06 3.98 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 0.00 0.00 0.00 169 K 8.27 4.12 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 170 K 7.83 4.39 0.00 1.87 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.37 1.32 7.81 171 S 8.92 4.74 0.00 3.48 3.73 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 0.00 172 R 6.99 4.58 0.00 1.76 1.78 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.00 173 G 6.21 4.98 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 0.00 0.00 0.00 174 I 7.37 4.49 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 1.27 0.87 0.91 0.00 0.00 175 N 7.98 4.20 0.00 2.74 2.54 0.00 0.00 7.10 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.48 3.95 0.00 1.82 2.11 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.93 7.81 177 G 8.44 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 H 8.55 3.90 0.00 3.01 2.97 0.00 7.32 0.00 0.00 0.00 0.00 5.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 6.68 4.35 0.00 1.80 1.62 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.11 0.76 7.81 *180 F 8.47 4.88 0.00 2.24 2.09 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 0.00 181 N 7.79 5.20 0.00 2.59 2.71 0.00 0.00 6.60 6.91 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 0.00 182 N 7.94 5.18 0.00 2.67 2.63 0.00 0.00 6.77 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 0.00 183 T 7.94 4.69 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 0.00 184 K 8.58 3.47 0.00 1.91 1.25 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 0.98 7.81 185 A 9.98 3.41 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 0.00 186 G 9.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.23 4.82 0.00 1.78 1.55 0.00 3.25 0.00 0.00 3.92 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.00 188 R 9.13 3.86 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 189 K 7.76 4.13 0.00 1.71 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 0.85 7.81 * Residues marked with a * may have inaccurate shift predictions.