NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3870 8.1849 120.6298 54.5976 43.3255 175.5831 2 R 4.6814 8.1366 118.9979 53.7416 32.9398 175.5480 3 L 4.0812 9.2403 125.3177 57.9162 42.5517 179.1536 4 A 4.7551 8.5216 121.2316 54.6405 18.3219 178.5809 5 D 4.4570 7.9197 113.4632 55.5683 41.0017 176.9051 6 F 4.6871 8.6286 116.9286 57.1371 39.7719 175.9118 7 G 3.9421 8.2468 107.4670 45.2089 0.0000 173.8888 8 F 4.7253 8.2838 118.6733 56.4347 40.1552 174.9622 9 T 5.0539 8.5707 114.1915 59.0204 71.4007 173.5130 10 D 4.6481 8.3777 121.1675 54.4900 40.6146 176.1507 11 G 3.9849 8.8639 104.9196 44.1839 0.0000 172.2316 12 I 4.9675 8.2321 122.1449 59.5576 40.1089 174.9554 13 N 4.9102 9.1803 124.7254 51.5264 40.7880 173.7687 14 E 4.9663 8.8245 124.8088 55.7020 30.5232 175.8907 15 I 4.8467 8.8125 117.6046 59.2222 42.3096 173.9953 16 I 4.5120 8.3056 122.6276 59.9070 38.5460 175.1981 17 A 4.8945 9.0835 130.7223 51.0624 20.2892 175.7597 18 I 5.2337 9.2953 124.6080 59.8810 39.8934 175.1799 19 T 5.3283 9.1320 116.3792 59.9616 72.7066 172.3244 20 E 4.7092 8.9422 123.7206 55.3851 31.1084 175.9805 21 N 4.9054 9.1751 124.3273 51.9502 39.5722 175.8326 22 E 3.8794 8.7742 119.3167 59.5976 29.4749 178.1203 23 D 4.5376 8.0165 115.1400 53.0139 39.7226 177.2398 24 G 3.7365 8.0757 109.5422 45.7991 0.0000 174.4134 25 S 4.0425 7.9156 114.5006 57.6786 63.8417 173.0293 26 W 5.2668 8.0420 120.8355 55.9599 30.4008 175.2738 27 N 5.4044 9.6516 122.3271 51.8481 41.0296 173.0698 28 A 5.3766 8.9723 126.9129 50.2023 21.8769 175.2155 29 A 4.5678 8.7101 122.6486 49.7487 23.2067 173.9484 30 P 4.8350 0.0000 0.0000 62.8742 32.3094 176.0437 31 I 4.6731 8.8080 123.3832 59.7562 42.1972 174.1212 32 G 4.2700 8.6755 112.5523 45.3507 0.0000 172.9674 33 I 4.4839 8.9428 127.4424 60.0994 39.1102 174.8734 34 I 4.6347 9.0387 129.5004 60.2187 38.7460 175.0724 35 V 4.6267 8.9885 127.2651 61.3807 33.7207 176.0223 36 E 4.0525 9.0441 126.9859 57.9997 30.4315 175.8275 37 D 4.5159 7.6675 118.4010 52.5516 42.7734 175.4535 38 S 4.3921 8.6754 122.4085 60.1128 63.4278 176.0866 39 S 4.3330 8.2621 115.6252 59.9042 63.3862 174.1512 40 S 4.6846 7.9332 117.3872 57.2466 65.6605 174.1087 41 D 5.1450 8.5493 116.3037 53.2027 40.3599 175.4493 42 T 5.2034 7.7381 108.3156 60.7090 71.5072 172.9243 43 A 4.6599 8.4981 123.9149 51.5473 23.4875 174.7374 44 K 5.0186 8.7890 116.2105 55.2022 37.2609 175.8966 45 A 4.8518 8.7776 122.6470 50.2882 22.8789 175.1241 46 K 4.7786 8.6035 120.5183 54.7169 33.8471 175.8526 47 L 4.7719 8.6722 125.3418 52.9127 44.5226 176.6690 48 Y 4.2355 8.6125 121.3009 57.5696 39.0401 177.1835 49 R 4.2979 8.4077 120.4526 55.3350 28.3731 175.5567 50 N 5.1128 7.6719 119.7652 50.2874 41.9556 175.1447 51 R 3.9184 8.4061 118.7668 59.8019 29.9375 178.2093 52 T 3.8876 7.9739 115.0773 66.7195 68.4951 176.2151 53 R 3.8524 8.6504 120.4807 59.4640 29.7707 178.3690 54 A 4.0046 8.0555 120.5251 55.2926 18.2726 179.4077 55 N 4.4181 8.6076 115.4149 56.4619 38.5303 177.7342 56 L 4.1602 8.2629 120.6003 57.7457 41.4593 179.2899 57 E 3.9477 8.2402 117.9861 59.1994 29.3861 178.8763 58 R 4.1888 7.4766 116.8830 58.0577 30.3992 177.5493 59 S 4.7126 7.9533 111.7783 56.8286 64.9367 174.5591 60 G 4.0626 8.4112 110.1019 45.2254 0.0000 172.4227 61 V 4.7408 7.7203 118.4392 60.5134 34.1376 174.3209 62 L 4.8092 8.8611 130.1252 53.3574 44.6435 174.8952 63 F 5.3049 9.2353 125.0659 56.1986 41.2047 174.6501 64 A 5.3795 9.2856 124.1816 50.3078 22.2589 174.6749 65 N 5.4070 9.2283 119.3453 51.4770 41.5473 173.9306 66 V 4.4613 8.7080 124.7378 62.0341 32.2094 174.9260 67 T 4.8261 8.4941 121.5932 60.4220 70.6788 172.5980 68 D 4.9081 8.6211 124.0410 52.9270 40.1621 175.9638 69 D 4.6371 8.1921 119.9318 53.9384 41.6087 176.1438 70 A 4.1034 8.7104 130.3539 55.3510 18.3844 178.7278 71 L 4.0145 8.4436 118.8465 58.1448 42.2005 179.3677 72 V 3.1014 7.9663 117.8735 65.7469 31.5265 177.8626 73 F 3.8064 8.1778 117.0367 60.3973 38.5437 177.5637 74 A 4.0232 7.9753 119.1162 55.1025 18.5859 179.6051 75 V 3.6914 7.7981 117.0504 66.2122 31.3566 178.4853 76 S 4.7450 7.7144 114.8290 60.6332 62.5703 176.4122 77 S 3.7220 7.7515 118.4461 60.3944 62.4764 174.8351 78 F 4.8197 8.0368 116.5372 56.1473 40.1581 175.2069 79 G 3.9066 6.8007 108.4535 45.6325 0.0000 171.8579 80 N 4.7605 8.3595 117.2962 53.3590 39.6815 175.4563 81 L 3.7235 8.6048 122.9251 56.2726 42.2636 177.9140 82 N 4.2148 8.2335 115.6623 53.3433 37.7514 173.6504 83 D 5.1068 8.3722 114.1233 54.9226 42.6499 178.4702 84 D 4.4683 7.9545 116.8278 56.2767 41.0370 177.3118 85 W 4.2618 8.6320 118.4895 57.7455 29.5099 175.2517 86 Y 4.8329 7.7215 117.0479 56.4513 38.5619 175.7559 87 A 4.2613 9.0099 128.0380 54.0461 19.3452 177.7922 88 S 4.5893 7.7499 110.3079 56.1701 65.2907 172.7936 89 P 4.2683 0.0000 0.0000 64.9310 31.6929 175.9360 90 N 4.3418 7.3937 115.6086 51.8277 40.6272 172.1580 91 P 3.7307 0.0000 0.0000 61.2838 31.8653 174.4546 92 P 4.3433 0.0000 0.0000 62.7775 31.4608 175.2391 93 I 4.5798 7.8681 126.2723 59.4796 39.4499 175.4726 94 I 4.0905 9.3660 128.8327 60.3659 38.3707 176.0133 95 K 4.0762 8.6411 126.2960 58.3489 32.2816 177.7881 96 G 3.9474 8.9813 111.2209 45.1963 0.0000 174.4288 97 A 4.0907 7.4394 121.1439 51.9559 18.6560 176.3525 *99 A 4.5995 8.2620 115.4333 51.9632 20.5505 176.3186 100 W 5.6355 8.6758 115.3935 55.0543 32.0347 174.1242 101 C 4.6818 9.5077 117.8584 57.8891 32.4890 172.8760 102 R 4.7423 8.4116 121.3889 54.5101 32.7332 174.1268 103 F 5.1796 9.2115 124.7697 55.5347 42.3399 174.5821 104 E 4.6286 9.1288 122.8008 56.1550 30.8339 175.5944 105 A 5.0328 9.0876 125.5250 50.4261 22.2722 174.7787 106 E 4.7640 8.8241 125.0504 54.5186 33.6412 174.9603 *108 R 4.1471 8.4427 116.8428 56.8811 30.6172 175.4384 109 S 3.8679 9.6234 122.4326 59.2801 60.4565 173.3140 110 G 3.8468 8.0340 108.7776 44.7104 0.0000 171.6548 111 V 4.6056 7.3262 119.6919 61.1629 32.9157 174.9645 112 A 4.5477 9.0716 130.9971 51.3562 20.1165 175.5750 113 H 4.7570 9.3004 121.4644 55.0920 30.3841 174.6385 114 L 5.2543 9.0222 123.9618 52.7082 44.9092 175.5035 115 K 5.0352 8.9812 123.5951 54.3348 35.2075 174.8313 116 L 3.9443 9.2429 131.3069 55.2587 41.7819 176.3796 117 T 4.5120 8.4056 115.7434 61.8231 71.0595 173.1123 118 D 4.4813 7.0027 120.0129 52.3185 45.0996 173.9829 119 G 2.7089 7.1732 110.5434 45.8373 0.0000 171.5295 120 E 4.9315 6.6305 118.3576 54.5229 34.4537 175.2496 121 I 4.3217 8.4110 124.3511 61.3841 37.9828 175.6917 122 I 4.1963 8.4979 125.9944 62.8104 38.0810 176.1498 123 E 4.4981 7.7092 120.1022 55.1016 31.6668 174.4412 124 K 4.3107 8.5209 126.2650 56.1990 33.0291 176.2302 125 R 4.7848 8.1491 119.8619 54.5245 34.3720 174.7885 126 V 4.4542 8.0956 117.3870 59.9696 33.8063 175.1255 127 R 4.5219 8.3860 123.0884 54.1409 33.0647 174.3243 128 A 4.1470 8.5230 127.7895 51.8149 19.0819 177.1658 129 I 3.6606 8.2700 121.1997 62.1004 37.9395 175.9058 130 N 4.8961 8.4902 121.5284 51.2817 41.8180 175.3483 131 R 4.1827 8.7312 127.2401 58.6395 30.2562 179.1421 132 G 3.5721 8.2501 106.3757 47.5291 0.0000 175.5645 133 L 3.9422 8.0889 122.3589 57.9636 42.1444 178.7724 134 S 4.0181 7.8904 114.4334 61.9176 62.7520 176.8602 135 A 3.8686 8.2030 123.2257 54.7908 18.1021 179.8465 136 V 3.6269 8.0598 117.0458 66.2802 31.7277 178.3595 137 I 3.4923 7.5006 119.3435 64.3225 37.0437 178.2562 138 E 3.6464 8.0183 119.2031 59.3370 29.2023 179.3753 139 A 4.1355 7.9662 120.8359 55.0799 18.2785 179.7226 140 L 3.9380 7.9153 117.7281 57.6556 41.1030 179.6091 141 V 3.4750 7.4693 118.0592 66.5863 31.3992 177.9192 142 H 4.4169 7.9290 115.0939 58.6086 28.5875 177.7180 143 A 4.2023 8.6522 123.4831 55.2464 18.0527 179.8031 144 T 3.8842 8.0153 107.8621 64.6597 69.0670 176.7471 145 R 3.9474 7.7525 120.7564 59.3886 29.7705 177.4249 146 Y 4.1366 8.4426 119.8840 61.2704 38.5176 178.8501 147 V 3.7736 8.0462 110.5849 63.3674 31.8000 177.4896 148 A 4.4076 7.8040 119.1463 51.4854 19.2251 176.5286 149 I 4.5196 6.6612 109.1571 58.8643 40.3325 175.5187 150 K 4.3413 8.1994 117.9691 55.9889 34.2328 177.4624 151 S 4.0779 7.9807 114.0154 58.7687 63.1243 174.2483 152 D 4.3207 8.6669 129.0575 57.5552 40.9155 178.5517 153 E 3.9565 8.0827 118.6374 59.4040 29.5263 179.3017 154 R 3.9362 8.1862 118.7945 59.4568 30.1467 178.7365 155 R 4.0581 8.1652 118.0046 59.0039 30.0714 178.8986 156 K 3.9745 8.3583 119.6903 59.4620 32.2143 178.3827 157 E 3.9242 8.1025 119.2301 59.4753 29.5330 178.8658 158 L 4.0487 8.1726 118.9888 57.6639 41.5785 179.3037 159 L 3.7143 8.2784 120.5050 57.9299 42.0081 178.7905 160 E 3.9702 8.1202 118.4494 59.5011 29.3408 179.5798 161 R 3.9105 7.9695 117.9834 59.3084 30.1007 179.1640 162 I 4.0277 8.0620 119.7340 64.9348 36.9684 178.2499 163 H 4.3409 8.5289 117.2728 58.8421 27.9847 177.2239 164 Y 3.9899 8.1394 121.3632 61.0953 38.6738 177.9614 165 Y 4.1909 8.2449 117.6406 60.8244 37.9267 178.3493 166 R 2.5100 8.1884 119.9709 59.1028 30.0938 178.4239 167 E 3.8173 7.6437 118.2637 59.2855 29.3523 179.4186 168 I 3.5595 7.0863 118.7503 64.2874 37.1022 178.6323 169 V 3.5789 7.6846 119.0764 66.1057 31.0797 178.1287 170 Q 3.8989 7.7500 116.8703 58.5784 28.5512 178.3898 171 K 4.0463 7.7533 119.7726 59.2036 32.4451 177.8689 172 C 4.6658 8.2328 114.9859 59.5932 29.7132 174.8538 173 G 3.7951 7.3759 108.8562 44.9046 0.0000 173.8214 174 S 4.4921 8.9218 116.4871 57.1790 65.4847 174.8486 175 E 3.9406 8.6937 121.5673 59.4676 29.1362 178.6180 176 R 3.9505 7.8123 118.8352 59.5115 30.1151 178.4220 177 E 4.0997 8.1789 117.9237 59.2690 29.5204 179.3028 178 K 4.0561 8.2972 118.6705 59.5120 31.9885 179.6006 179 R 3.9669 8.5444 118.5712 59.1957 29.8637 178.8889 180 A 4.0751 8.1875 120.5789 55.3171 18.1746 179.5302 181 F 3.7736 8.3934 118.1341 61.2088 39.4909 176.7820 182 E 4.1992 8.1761 117.7908 59.4577 29.4438 179.0738 183 I 3.8888 7.6008 119.8585 64.3190 37.1533 179.0872 184 I 3.5945 7.1296 117.2141 62.2255 37.1047 177.3896 *186 E 4.1827 8.3092 123.1142 56.2324 30.9441 178.1462 187 K 3.8034 7.8687 117.0190 58.7109 31.9463 177.8329 188 I 4.1325 7.4513 110.1572 60.8076 37.9449 176.3540 189 G 3.9904 8.1697 109.1389 46.0745 0.0000 173.6322 190 E 4.7280 7.8271 117.1594 55.4953 30.5606 176.3487 191 G 3.7444 8.2585 112.7511 45.9196 0.0000 174.2799 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 1 L 8.18 4.39 0.00 1.63 1.83 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.14 4.68 0.00 2.09 1.82 0.00 3.14 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 3 L 9.24 4.08 0.00 1.91 1.80 0.97 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.52 4.76 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 5 D 7.92 4.46 0.00 2.42 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 6 F 8.63 4.69 0.00 3.29 3.14 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 7 G 8.25 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 0.00 0.00 0.00 8 F 8.28 4.73 0.00 3.23 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 9 T 8.57 5.05 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 1.24 0.00 0.00 10 D 8.38 4.65 0.00 2.83 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 11 G 8.86 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 12 I 8.23 4.97 1.88 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 1.35 0.73 0.97 0.00 0.00 13 N 9.18 4.91 0.00 2.95 2.67 0.00 0.00 6.64 8.43 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 14 E 8.82 4.97 0.00 1.83 2.00 0.00 0.00 0.00 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 2.15 0.00 15 I 8.81 4.85 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.08 0.86 0.00 0.00 16 I 8.31 4.51 1.68 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.55 0.70 0.00 0.00 17 A 9.08 4.89 1.27 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 0.00 0.00 18 I 9.30 5.23 1.77 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 1.29 0.69 0.62 0.00 0.00 19 T 9.13 5.33 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 1.32 0.00 0.00 20 E 8.94 4.71 0.00 2.09 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 2.18 1.87 0.00 21 N 9.18 4.91 0.00 2.89 2.70 0.00 0.00 6.86 7.53 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 22 E 8.77 3.88 0.00 1.93 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 2.31 2.31 0.00 23 D 8.02 4.54 0.00 2.70 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 24 G 8.08 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 25 S 7.92 4.04 0.00 3.95 3.90 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 26 W 8.04 5.27 0.00 3.00 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 27 N 9.65 5.40 0.00 3.00 2.75 0.00 0.00 6.79 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.97 5.38 1.18 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 29 A 8.71 4.57 1.18 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 30 P 0.00 4.83 0.00 2.00 2.17 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 31 I 8.81 4.67 1.88 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 1.35 1.00 0.90 0.00 0.00 32 G 8.68 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 0.00 0.00 0.00 0.00 33 I 8.94 4.48 2.09 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.74 0.65 0.00 0.00 34 I 9.04 4.63 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 0.90 0.00 0.00 35 V 8.99 4.63 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 1.14 0.00 0.00 0.99 0.00 0.00 36 E 9.04 4.05 0.00 1.99 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 2.27 2.28 0.00 37 D 7.67 4.52 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.39 0.00 4.23 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 0.00 39 S 8.26 4.33 0.00 4.03 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 40 S 7.93 4.68 0.00 3.93 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 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0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 50 N 7.67 5.11 0.00 2.97 2.97 0.00 0.00 5.74 7.66 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 51 R 8.41 3.92 0.00 1.97 2.00 0.00 3.50 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 52 T 7.97 3.89 4.42 0.00 0.00 0.00 0.00 0.00 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 53 R 8.65 3.85 0.00 2.01 2.10 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 54 A 8.06 4.00 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 55 N 8.61 4.42 0.00 2.99 3.02 0.00 0.00 7.04 6.43 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 56 L 8.26 4.16 0.00 1.83 1.72 0.91 0.93 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 57 E 8.24 3.95 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 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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 75 V 7.80 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 76 S 7.71 4.74 0.00 4.06 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 77 S 7.75 3.72 0.00 3.58 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 4.82 0.00 3.03 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 79 G 6.80 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 0.00 0.00 0.00 80 N 8.36 4.76 0.00 2.72 2.79 0.00 0.00 6.90 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 81 L 8.60 3.72 0.00 1.71 1.52 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.23 4.21 0.00 3.20 3.15 0.00 0.00 6.08 8.07 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 118 D 7.00 4.48 0.00 2.70 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 0.00 119 G 7.17 2.71 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 0.00 0.00 0.00 120 E 6.63 4.93 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 121 I 8.41 4.32 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.91 0.00 0.00 122 I 8.50 4.20 2.11 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 1.55 1.04 0.99 0.00 0.00 123 E 7.71 4.50 0.00 1.91 1.83 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 2.22 2.34 0.00 124 K 8.52 4.31 0.00 1.79 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 125 R 8.15 4.78 0.00 1.74 1.80 0.00 3.16 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 126 V 8.10 4.45 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 0.73 0.00 0.00 0.93 0.00 0.00 127 R 8.39 4.52 0.00 1.74 1.78 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 128 A 8.52 4.15 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 0.00 129 I 8.27 3.66 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 1.29 0.57 0.91 0.00 0.00 130 N 8.49 4.90 0.00 2.69 2.61 0.00 0.00 7.23 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 0.00 131 R 8.73 4.18 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 132 G 8.25 3.57 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 0.00 0.00 0.00 133 L 8.09 3.94 0.00 1.76 1.82 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.89 4.02 0.00 4.16 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 0.00 135 A 8.20 3.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.06 3.63 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 1.01 0.00 0.00 1.18 0.00 0.00 137 I 7.50 3.49 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 0.66 0.00 0.00 138 E 8.02 3.65 0.00 1.16 1.17 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 2.23 2.16 0.00 139 A 7.97 4.14 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 0.00 140 L 7.92 3.94 0.00 1.77 1.61 0.94 0.63 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 0.00 141 V 7.47 3.47 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 0.93 0.00 0.00 0.87 0.00 0.00 142 H 7.93 4.42 0.00 3.33 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.65 4.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 3.88 4.11 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 0.81 0.00 0.00 145 R 7.75 3.95 0.00 2.04 2.20 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 146 Y 8.44 4.14 0.00 3.23 3.21 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 0.00 0.00 0.00 0.00 147 V 8.05 3.77 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 1.08 0.00 0.00 1.19 0.00 0.00 148 A 7.80 4.41 1.31 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 0.00 0.00 0.00 149 I 6.66 4.52 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 1.52 0.65 0.91 0.00 0.00 150 K 8.20 4.34 0.00 1.69 1.81 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.29 7.81 151 S 7.98 4.08 0.00 3.86 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 0.00 152 D 8.67 4.32 0.00 2.72 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 0.00 153 E 8.08 3.96 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 154 R 8.19 3.94 0.00 1.93 1.91 0.00 3.19 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 155 R 8.17 4.06 0.00 1.93 1.91 0.00 3.14 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.51 0.00 156 K 8.36 3.97 0.00 1.90 2.07 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 157 E 8.10 3.92 0.00 2.13 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 2.30 2.35 0.00 158 L 8.17 4.05 0.00 2.13 1.85 1.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.28 3.71 0.00 1.87 1.79 0.59 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.12 3.97 0.00 2.26 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 2.56 0.00 161 R 7.97 3.91 0.00 2.03 2.10 0.00 2.72 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 162 I 8.06 4.03 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 1.04 0.00 0.00 163 H 8.53 4.34 0.00 3.35 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.14 3.99 0.00 2.95 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 0.00 165 Y 8.24 4.19 0.00 3.38 3.32 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 0.00 166 R 8.19 2.51 0.00 1.80 1.89 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.00 167 E 7.64 3.82 0.00 1.87 1.81 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 2.20 2.42 0.00 168 I 7.09 3.56 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.15 0.96 0.00 0.00 169 V 7.68 3.58 1.80 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 1.14 0.00 0.00 0.92 0.00 0.00 170 Q 7.75 3.90 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 171 K 7.75 4.05 0.00 1.71 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 172 C 8.23 4.67 0.00 3.04 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 0.00 173 G 7.38 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.92 4.49 0.00 4.06 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 0.00 175 E 8.69 3.94 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 176 R 7.81 3.95 0.00 1.93 1.95 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 177 E 8.18 4.10 0.00 2.27 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 2.42 2.50 0.00 178 K 8.30 4.06 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.64 7.81 179 R 8.54 3.97 0.00 2.07 2.05 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 180 A 8.19 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 8.39 3.77 0.00 3.26 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 0.00 182 E 8.18 4.20 0.00 2.27 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 0.00 2.41 2.66 0.00 183 I 7.60 3.89 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.93 0.00 0.00 184 I 7.13 3.59 1.50 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.67 0.00 0.00 *186 E 8.31 4.18 0.00 1.99 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 0.00 2.21 2.31 0.00 187 K 7.87 3.80 0.00 0.83 0.88 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 0.41 7.81 188 I 7.45 4.13 1.64 0.00 0.00 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 1.31 0.48 0.86 0.00 0.00 189 G 8.17 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 0.00 190 E 7.83 4.73 0.00 1.94 1.95 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 2.23 2.28 0.00 191 G 8.26 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 * Residues marked with a * may have inaccurate shift predictions.