NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.5868 0.0000 0.0000 61.8676 34.1732 175.1297 5 A 4.7618 7.0771 120.6027 50.4148 22.1911 173.8953 6 Y 5.0498 8.4638 118.1983 54.8499 43.2794 172.7521 *8 S 4.5519 8.3789 112.8689 58.7978 65.0608 173.0856 9 I 4.9738 8.2629 121.7732 60.1641 41.2062 174.1405 10 T 4.9260 8.8551 124.5966 61.9035 70.2250 174.6187 11 G 4.4330 8.9776 114.8106 44.8616 0.0000 174.6818 12 T 4.1675 8.4783 110.5804 63.4563 69.3484 175.8633 13 K 4.2312 8.4959 122.5494 58.3734 32.7673 177.3092 14 Q 4.2260 8.3073 114.0579 55.5347 30.0923 178.2562 15 G 3.7281 7.6605 105.8629 45.8021 0.0000 175.2381 16 L 4.4582 8.1845 118.7101 54.7309 40.0160 177.5561 17 I 3.6802 8.3997 125.9675 63.7415 37.5470 177.2526 18 T 4.4347 7.8156 108.5279 61.0436 68.9206 173.9282 19 A 4.2364 8.0248 125.9544 54.0862 18.5621 178.3046 20 G 3.9912 9.0666 111.0483 46.5541 0.0000 174.3435 21 A 4.4135 7.8640 121.9938 52.4690 19.7127 178.5998 22 F 5.2182 8.3678 118.4824 56.3235 39.1332 172.9448 23 T 4.5025 7.3100 113.8811 59.1139 72.8916 175.7223 24 E 3.7134 7.8191 119.8668 59.6374 29.5418 179.4728 25 D 4.3017 7.9513 116.7597 57.5038 41.1854 178.0585 26 S 4.2546 7.9384 112.1818 61.0476 62.7559 175.2844 27 V 4.4904 7.9179 111.1699 60.2259 33.0144 176.5004 28 G 3.7690 7.7489 112.0257 47.0625 0.0000 177.4406 29 N 4.5206 8.8742 122.8890 55.3800 38.9391 175.6797 30 T 4.0854 7.6210 113.3112 65.7441 68.7477 174.2561 31 Y 3.6108 7.2685 122.5066 57.6629 39.1795 175.4475 32 Q 3.8983 6.7229 124.5014 53.5068 32.5147 174.9330 33 E 3.9365 7.8150 120.8039 57.0037 30.2342 176.8872 34 G 3.9455 8.9218 107.4186 46.1139 0.0000 173.9602 35 H 5.0002 7.6502 116.5541 53.8698 30.2442 175.5543 36 E 4.4048 8.5499 120.4434 58.8192 29.5930 178.6059 37 D 5.0762 7.9712 115.9668 54.0759 41.0627 175.9301 38 Q 4.7776 8.2776 117.5670 54.3394 33.4260 175.0324 39 V 4.4790 7.7889 120.7540 61.1735 30.2998 177.5600 *41 V 3.8869 8.2170 127.8316 64.0162 31.8257 174.2691 42 Q 4.5568 8.5761 126.3650 55.2328 30.6106 174.6413 43 G 4.3909 7.9286 102.6802 45.2031 0.0000 172.4067 44 F 5.5526 8.7840 124.5227 57.0767 42.8786 173.1950 45 N 4.9353 8.4027 122.0306 52.4162 43.1465 172.9705 46 H 4.9436 8.5836 121.3968 55.5424 33.2130 172.0396 47 E 4.7056 8.1820 122.5735 54.9337 33.1254 173.6519 48 V 4.7888 8.2148 124.8242 61.1396 34.9231 174.3774 49 I 4.6350 8.0985 126.3683 59.3408 41.7024 174.9447 50 I 4.1065 8.3291 129.6848 60.8194 37.8651 175.9222 *61 G 3.6511 8.2092 109.1857 45.7697 0.0000 172.4082 62 Q 4.3921 8.2656 124.9927 53.8042 30.0815 176.6661 63 R 4.2316 8.4092 117.4702 56.9064 29.9899 176.1623 64 V 4.4519 8.0990 111.2753 60.0217 35.6310 174.6606 65 H 4.5642 9.3235 120.9575 54.5500 30.2296 174.6866 66 K 4.6815 8.0308 119.9670 53.8964 34.7732 174.5166 67 P 5.0927 0.0000 0.0000 62.7843 32.3999 176.4856 68 V 4.1247 9.1750 123.3344 62.7503 32.8212 174.8283 69 V 4.9108 9.1871 129.4047 61.1227 33.8351 174.3837 70 I 5.2881 8.8875 120.3496 59.4886 41.5257 174.0712 71 T 5.3181 8.8491 120.6944 61.8222 71.2435 173.5093 72 K 4.9376 9.4525 124.8475 55.1123 36.8391 175.7844 73 V 4.5474 8.1872 113.9944 59.9471 33.4645 176.1322 74 F 4.5846 8.9366 121.8897 58.2540 39.3127 175.2634 75 D 4.7913 8.5466 122.0550 51.4940 41.9585 175.3013 76 K 3.9066 8.6641 119.1670 60.0733 32.2988 178.8451 77 A 4.1797 8.1931 119.7020 54.2102 18.2239 179.2382 78 S 4.0887 7.9949 114.4469 61.5950 62.8701 174.9253 79 P 4.1718 0.0000 0.0000 65.7070 31.0601 178.7770 80 L 4.0092 7.7160 117.3764 57.4921 41.6327 179.2408 81 L 3.9988 8.4512 119.4065 57.9182 41.6012 179.6404 82 L 3.9847 8.1390 118.6539 57.3806 41.4494 179.5270 83 A 3.9364 8.2554 121.0151 55.0825 18.3175 179.4792 84 A 3.9570 8.3516 119.7522 55.0133 18.1153 179.7784 85 L 3.8330 7.7988 118.4583 58.6015 42.4391 179.0489 86 T 4.0850 7.7236 107.5613 63.6460 68.9612 175.8878 87 S 4.4705 8.1524 116.6588 58.4335 63.6182 175.1015 88 G 3.8159 7.7255 108.9897 45.4664 0.0000 172.9041 89 E 3.9112 7.6027 120.2599 55.9864 30.1947 176.4626 90 R 4.0885 8.5158 126.5819 56.2613 31.6579 175.0569 91 L 4.3387 9.2454 127.6186 54.1309 42.0890 177.2575 92 T 3.9255 8.7764 121.9484 66.1251 69.5386 174.2030 93 K 4.9001 8.1584 120.9218 54.5399 36.1314 174.8494 94 V 4.6958 8.5680 126.5096 61.0063 34.2106 173.5845 95 E 4.8748 9.4071 129.3006 54.4126 32.1602 174.7699 96 I 4.4246 8.6846 128.2799 59.7564 39.6993 174.5737 97 Q 5.0102 8.9449 127.6158 54.2062 30.6596 174.8060 98 W 5.1439 9.3443 125.3622 55.7646 30.7836 175.4615 99 Y 5.5615 9.1036 122.8458 56.8829 40.2650 174.8082 100 R 4.7032 8.6982 116.2662 55.5714 33.6283 173.9470 101 T 4.7668 8.3595 117.0680 62.6521 69.0880 175.4633 102 S 4.5012 9.9145 122.2087 57.3054 63.6530 175.3366 103 A 3.9462 8.4652 123.1943 54.8068 18.1536 178.3990 104 A 4.2467 7.9081 116.3935 52.6084 19.1498 177.8072 105 G 4.0734 8.3444 104.5720 45.1137 0.0000 173.4407 106 T 4.7620 7.7230 115.4890 61.0107 71.9001 173.7677 107 Q 4.9278 8.8070 124.3854 56.3285 28.9583 175.6575 108 E 4.8807 9.6047 122.1418 54.5746 33.5099 174.3496 109 H 3.9989 9.0223 122.9019 56.4875 29.8396 173.9476 110 Y 4.7257 9.0000 123.9531 57.0116 40.1511 174.6546 111 Y 4.8364 7.1770 120.2302 56.5174 42.7775 173.3595 112 T 5.3744 8.3150 120.2759 62.2312 73.3008 172.9033 113 T 4.9304 9.1490 122.1671 61.7759 71.6332 173.1123 114 V 4.5787 8.4644 126.8883 60.9607 34.4449 173.9822 115 L 4.7363 8.5176 128.3149 53.2519 43.7659 175.2599 116 E 4.7257 9.4997 124.2444 55.3890 31.5319 175.8121 117 D 4.7364 8.2614 123.5654 55.3970 38.8467 172.8614 118 A 4.9728 8.2271 122.0635 51.4725 21.2862 177.8549 119 I 4.8479 9.2661 120.9533 59.4519 41.0332 174.9794 120 I 4.2936 8.5216 127.6722 61.0672 37.4811 176.0429 121 V 4.3526 8.1907 119.4608 60.4532 33.0471 175.1449 122 D 4.3663 7.2982 116.9733 53.6279 44.3756 174.7092 123 I 5.0446 8.4344 125.5022 59.5492 41.0166 174.2342 124 K 4.5850 9.0684 128.8094 54.8563 34.2170 174.2348 125 D 5.6886 8.8102 127.8371 53.4756 42.1814 174.7628 126 Y 4.8316 9.0931 120.5017 58.4037 45.3693 176.4253 *139 T 3.9564 7.9740 113.3104 61.5214 68.9362 173.1133 140 H 4.3719 7.4794 121.9150 54.2838 29.5423 173.9991 141 L 5.0117 8.2057 123.7487 52.9654 45.3624 175.6438 142 E 5.2189 9.1129 121.1748 55.6765 33.5112 173.3587 143 D 5.4589 9.6573 127.9181 52.9939 43.3468 175.5717 144 V 4.7822 9.1022 122.8892 61.3943 34.4838 173.6530 145 H 5.3691 9.0222 125.1121 54.1648 31.2276 173.6051 146 F 5.5755 9.3417 121.8511 56.0005 42.2159 175.0331 147 T 4.9240 8.6760 113.6976 60.7701 71.7894 172.2431 148 Y 5.3342 6.2154 118.3311 57.7385 40.3708 173.8157 149 R 4.4295 9.0359 118.4413 57.6058 32.0449 176.1070 150 K 5.2548 8.0604 118.5891 54.7401 36.1331 174.6503 151 I 4.6123 8.5793 126.5176 59.3099 41.0539 174.1203 152 T 4.8004 8.3468 124.4260 61.3535 72.4177 172.8169 153 W 5.1295 9.0960 124.9083 55.2195 32.5693 174.7662 154 T 4.8502 8.2810 120.3387 62.0025 72.5781 172.5464 155 H 4.6613 8.9827 127.1146 54.8812 30.0105 175.3706 156 E 3.9052 8.6972 127.4649 59.1045 29.2856 178.9689 157 V 3.9163 7.9786 117.8817 64.5516 32.0970 176.5094 158 S 4.4799 8.4365 112.9679 57.5951 63.5050 173.7188 159 G 3.8757 8.0482 108.6426 47.0866 0.0000 173.5710 160 T 4.8734 7.5318 108.0829 59.9054 72.1243 173.2387 161 S 5.0712 8.4300 115.8313 58.1420 66.0370 172.9420 162 G 4.4319 8.6653 107.3559 46.0817 0.0000 171.7308 163 S 5.1088 8.5978 112.7166 58.2178 65.4449 174.7405 164 D 4.8549 8.5315 119.1050 53.0427 44.8425 174.2681 165 D 5.0625 8.8253 125.3565 53.8329 41.7368 176.0093 166 W 3.7111 9.0560 133.5207 57.5617 31.4707 175.9948 167 R 4.1883 7.3975 125.2173 56.7428 29.6830 174.3174 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 4 P 0.00 4.59 0.00 2.09 2.22 0.00 3.43 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 2.00 2.11 0.00 5 A 7.08 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.46 5.05 0.00 2.83 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 *8 S 8.38 4.55 0.00 3.92 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 9 I 8.26 4.97 1.92 0.00 0.00 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 1.18 0.87 1.02 0.00 0.00 10 T 8.86 4.93 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 11 G 8.98 4.43 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 0.00 12 T 8.48 4.17 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 13 K 8.50 4.23 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 Q 8.31 4.23 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 15 G 7.66 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 0.00 0.00 0.00 16 L 8.18 4.46 0.00 1.74 1.60 0.98 0.95 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 17 I 8.40 3.68 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.94 0.00 0.00 18 T 7.82 4.43 4.29 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 1.28 0.00 0.00 19 A 8.02 4.24 1.30 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 0.00 0.00 20 G 9.07 3.99 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 0.00 0.00 0.00 21 A 7.86 4.41 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.37 5.22 0.00 3.40 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.31 4.50 4.01 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 1.20 0.00 0.00 24 E 7.82 3.71 0.00 1.73 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 2.18 1.47 0.00 25 D 7.95 4.30 0.00 2.60 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 26 S 7.94 4.25 0.00 4.03 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 27 V 7.92 4.49 2.21 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 1.02 0.00 0.00 1.02 0.00 0.00 28 G 7.75 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 0.00 0.00 0.00 29 N 8.87 4.52 0.00 2.71 2.86 0.00 0.00 6.86 7.70 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 30 T 7.62 4.09 4.51 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 1.44 0.00 0.00 31 Y 7.27 3.61 0.00 2.64 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 6.72 3.90 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 33 E 7.82 3.94 0.00 2.04 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 2.09 2.19 0.00 34 G 8.92 3.95 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 0.00 0.00 0.00 35 H 7.65 5.00 0.00 2.77 2.78 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.55 4.40 0.00 2.11 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 0.00 2.46 2.50 0.00 37 D 7.97 5.08 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.28 4.78 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 39 V 7.79 4.48 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 0.81 0.00 0.00 0.96 0.00 0.00 *41 V 8.22 3.89 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 0.75 0.00 0.00 0.80 0.00 0.00 42 Q 8.58 4.56 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.30 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 43 G 7.93 4.39 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 0.00 0.00 0.00 44 F 8.78 5.55 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.40 4.94 0.00 2.51 2.56 0.00 0.00 6.36 7.76 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 46 H 8.58 4.94 0.00 2.93 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.18 4.71 0.00 2.01 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 2.22 2.26 0.00 48 V 8.21 4.79 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 0.75 0.00 0.00 0.92 0.00 0.00 49 I 8.10 4.64 1.83 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 1.19 1.21 0.85 0.00 0.00 50 I 8.33 4.11 1.85 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 1.32 0.90 0.90 0.00 0.00 *61 G 8.21 3.65 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 0.00 0.00 0.00 62 Q 8.27 4.39 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 63 R 8.41 4.23 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 64 V 8.10 4.45 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 0.79 0.00 0.00 0.85 0.00 0.00 65 H 9.32 4.56 0.00 1.40 2.61 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.03 4.68 0.00 1.82 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.53 7.81 67 P 0.00 5.09 0.00 2.12 2.29 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 68 V 9.18 4.12 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 1.23 0.00 0.00 0.93 0.00 0.00 69 V 9.19 4.91 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 0.92 0.00 0.00 0.66 0.00 0.00 70 I 8.89 5.29 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 1.25 0.00 0.00 71 T 8.85 5.32 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 72 K 9.45 4.94 0.00 1.75 1.90 0.00 1.36 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.44 7.81 73 V 8.19 4.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 74 F 8.94 4.58 0.00 2.77 2.99 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 75 D 8.55 4.79 0.00 2.91 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 76 K 8.66 3.91 0.00 1.79 1.93 0.00 1.89 0.00 0.00 1.89 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 77 A 8.19 4.18 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 78 S 7.99 4.09 0.00 3.93 3.65 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 79 P 0.00 4.17 0.00 2.12 2.06 0.00 3.76 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 2.08 2.11 0.00 80 L 7.72 4.01 0.00 1.83 1.71 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.45 4.00 0.00 1.84 1.69 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.14 3.98 0.00 1.76 1.66 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.26 3.94 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 84 A 8.35 3.96 1.39 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 0.00 0.00 85 L 7.80 3.83 0.00 1.69 1.85 0.89 0.86 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 86 T 7.72 4.09 4.22 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 1.23 0.00 0.00 87 S 8.15 4.47 0.00 4.04 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 88 G 7.73 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 0.00 0.00 0.00 89 E 7.60 3.91 0.00 1.89 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 0.00 2.34 2.26 0.00 90 R 8.52 4.09 0.00 1.93 1.78 0.00 3.40 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 91 L 9.25 4.34 0.00 1.77 1.64 1.22 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.78 3.93 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 K 8.16 4.90 0.00 1.74 1.53 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.30 7.81 94 V 8.57 4.70 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 0.38 0.00 0.00 0.52 0.00 0.00 95 E 9.41 4.87 0.00 1.85 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 2.16 2.19 0.00 96 I 8.68 4.42 1.77 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 1.08 0.67 -0.04 0.00 0.00 97 Q 8.94 5.01 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 98 W 9.34 5.14 0.00 2.84 3.09 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 99 Y 9.10 5.56 0.00 2.89 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.70 4.70 0.00 1.64 1.61 0.00 2.31 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 101 T 8.36 4.77 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 0.00 102 S 9.91 4.50 0.00 3.92 4.16 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 0.00 103 A 8.47 3.95 1.30 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 0.00 0.00 104 A 7.91 4.25 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 0.00 105 G 8.34 4.07 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 0.00 0.00 0.00 106 T 7.72 4.76 4.29 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 1.26 0.00 0.00 107 Q 8.81 4.93 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 108 E 9.60 4.88 0.00 2.03 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 2.36 2.32 0.00 109 H 9.02 4.00 0.00 2.33 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.00 4.73 0.00 3.05 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 0.00 111 Y 7.18 4.84 0.00 1.57 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 0.00 0.00 0.00 0.00 112 T 8.31 5.37 4.14 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 1.19 0.00 0.00 113 T 9.15 4.93 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 114 V 8.46 4.58 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.85 0.00 0.00 115 L 8.52 4.74 0.00 1.39 1.30 0.70 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.50 4.73 0.00 1.87 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 2.22 2.21 0.00 117 D 8.26 4.74 0.00 2.88 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 0.00 118 A 8.23 4.97 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 0.00 119 I 9.27 4.85 1.80 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 1.17 0.87 0.88 0.00 0.00 120 I 8.52 4.29 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.52 0.75 0.00 0.00 121 V 8.19 4.35 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 0.66 0.00 0.00 1.00 0.00 0.00 122 D 7.30 4.37 0.00 2.51 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 0.00 0.00 0.00 123 I 8.43 5.04 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.90 0.00 0.00 124 K 9.07 4.59 0.00 1.86 1.80 0.00 1.46 0.00 0.00 1.29 0.00 0.00 2.27 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.43 1.37 7.81 125 D 8.81 5.69 0.00 2.76 2.99 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 0.00 126 Y 9.09 4.83 0.00 3.14 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 *139 T 7.97 3.96 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 0.98 0.00 0.00 140 H 7.48 4.37 0.00 2.64 2.06 0.00 5.65 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.21 5.01 0.00 0.39 0.94 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.11 5.22 0.00 2.38 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 143 D 9.66 5.46 0.00 2.81 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 0.00 144 V 9.10 4.78 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 0.34 0.00 0.00 0.92 0.00 0.00 145 H 9.02 5.37 0.00 3.05 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.34 5.58 0.00 3.05 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 0.00 147 T 8.68 4.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 148 Y 6.22 5.33 0.00 3.10 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 0.00 149 R 9.04 4.43 0.00 1.90 2.11 0.00 3.07 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 150 K 8.06 5.25 0.00 1.87 1.58 0.00 1.72 0.00 0.00 2.05 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.45 7.81 151 I 8.58 4.61 1.01 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 -0.30 0.71 0.56 0.00 0.00 152 T 8.35 4.80 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 1.19 0.00 0.00 153 W 9.10 5.13 0.00 3.27 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.28 4.85 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 1.18 0.00 0.00 155 H 8.98 4.66 0.00 3.23 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.70 3.91 0.00 1.82 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 2.08 1.85 0.00 157 V 7.98 3.92 2.26 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 0.86 0.00 0.00 1.00 0.00 0.00 158 S 8.44 4.48 0.00 3.61 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 0.00 159 G 8.05 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 0.00 160 T 7.53 4.87 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 1.19 0.00 0.00 161 S 8.43 5.07 0.00 3.95 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 0.00 162 G 8.67 4.43 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 0.00 163 S 8.60 5.11 0.00 3.86 3.75 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 0.00 164 D 8.53 4.85 0.00 3.13 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 0.00 165 D 8.83 5.06 0.00 2.67 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 0.00 166 W 9.06 3.71 0.00 3.21 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 0.00 167 R 7.40 4.19 0.00 1.80 1.73 0.00 3.27 0.00 0.00 3.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.