NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5039 8.1849 120.5902 54.6692 43.5169 175.5844 4 D 4.8890 8.8238 123.3528 52.0327 43.2213 173.6892 5 W 5.3351 8.9320 123.9077 55.5438 31.7726 175.3519 6 T 4.7469 8.5438 111.2118 60.9032 71.8110 172.0694 7 C 5.2161 8.8120 124.0644 57.6633 32.4695 172.1602 8 K 4.5917 8.8474 124.2383 54.6707 34.1192 175.5972 9 H 4.1412 8.7218 124.2447 55.6799 30.8227 175.4991 10 H 4.1168 8.6032 122.2175 58.9360 28.2182 177.1853 11 A 4.0909 7.8140 121.2036 54.4406 18.2342 177.3947 12 D 4.7823 8.4328 113.9477 54.0445 41.4350 176.9691 13 L 4.4179 7.7553 120.0579 54.9870 42.4108 177.0870 14 T 4.5874 8.6349 111.8598 60.1711 72.2110 175.8342 15 L 4.0552 8.3320 121.3889 58.0044 41.6074 180.0958 16 K 4.1021 7.9808 117.9018 59.3719 32.0371 178.9859 17 E 4.3000 8.1609 118.6551 59.5033 29.4991 179.1855 18 L 3.9481 8.0525 120.1200 58.2970 42.1314 178.1097 19 Y 4.0013 8.1834 119.1309 60.8204 38.6995 177.8689 20 A 3.9872 8.8114 122.0545 55.2497 18.5279 179.6007 21 L 3.6493 8.1997 118.4152 58.8576 40.3891 179.4609 22 L 3.9126 7.8840 119.6325 56.9080 41.5527 179.1725 23 Q 3.6578 7.9558 120.2682 59.0606 28.9397 178.0689 24 L 3.8260 8.0109 121.7643 58.0126 42.0665 179.0902 25 R 3.7736 7.6851 118.0930 59.4696 29.8959 179.2130 26 T 3.9238 8.0274 115.7292 66.4791 68.3443 176.2903 27 E 3.8074 8.1126 121.3131 58.8090 29.5866 178.6112 28 V 3.7035 7.2419 116.9667 65.2655 31.9601 178.0637 29 F 4.5958 7.6804 115.8846 59.6158 38.9718 177.1859 30 V 4.8173 7.7358 118.1613 64.6610 32.2574 177.3259 31 V 3.7967 8.0409 118.6905 65.4570 31.2972 177.7239 32 E 4.0506 8.6210 118.8817 58.8514 29.6712 178.1455 33 Q 4.3255 7.8870 116.4499 54.5954 29.4297 175.3595 34 K 3.7523 7.8614 118.5202 57.7081 30.5758 175.3282 35 C 4.6558 7.7988 119.5973 57.0392 32.0765 171.0286 36 P 4.6968 0.0000 0.0000 61.5653 29.2953 174.3100 37 Y 4.8001 7.8766 122.4814 55.6167 41.1163 177.3565 38 Q 4.0059 8.1618 120.8507 54.4895 27.4290 174.3558 39 E 3.2636 7.7025 123.3585 58.3271 30.0001 177.8392 40 V 3.9014 7.3210 119.3835 61.8956 29.8138 174.7197 41 D 4.4758 8.1370 120.6337 52.8408 40.0659 178.4745 42 G 3.9527 8.1875 108.2359 45.9144 0.0000 174.0116 43 L 4.4600 7.8154 118.2062 55.0526 41.7076 177.2395 44 D 4.7425 8.0113 119.9945 55.7532 41.3671 176.9907 45 L 4.3609 7.7068 118.0921 54.4183 42.8589 176.3021 46 V 4.5079 7.4926 110.2802 59.8464 35.9563 180.3072 47 G 4.0233 8.1591 111.2641 46.9882 0.0000 174.3111 48 D 5.3157 9.0977 120.6239 53.5767 41.0294 175.2002 49 T 4.4695 8.2258 108.4403 62.4862 70.3629 173.5235 50 H 5.3931 10.0192 121.4938 54.4290 33.0490 172.6730 51 H 5.1294 9.2004 117.4816 54.1899 31.6933 173.0709 52 L 5.1773 8.6477 125.4817 53.0291 44.5906 175.4759 *54 A 3.6637 8.3064 123.7054 51.5873 19.6834 175.8249 55 W 4.9375 8.8152 121.9191 56.1055 32.5395 176.1938 56 R 4.4366 8.9614 116.3410 57.0768 32.9842 174.3756 57 D 4.2118 9.7784 125.9640 55.6232 38.0454 175.0800 58 G 4.1631 8.6922 105.1761 45.9722 0.0000 174.1178 59 Q 4.5432 7.8218 119.0999 53.5973 31.0477 174.4523 60 L 3.5536 7.6548 123.5607 54.1538 42.7581 175.8982 61 L 4.4991 8.3910 125.4592 55.3881 44.0087 176.3058 62 A 4.8894 7.2881 117.4292 50.7075 22.5902 174.4785 63 Y 5.4769 8.9705 119.4729 58.0204 43.1714 172.9836 64 L 4.9764 6.1048 119.3973 55.7002 43.3065 172.9500 65 R 4.9363 8.8951 121.5114 54.6731 33.1055 174.9146 66 L 5.2283 8.9452 124.8599 53.1084 44.8079 175.3280 67 L 4.9169 8.6594 125.5912 53.2923 43.1878 176.7791 68 D 3.4472 8.5140 123.4885 52.1604 40.6355 175.4262 69 P 4.4884 0.0000 0.0000 65.0090 32.0372 179.0199 70 V 3.5836 7.8801 113.4456 63.8785 31.6900 177.0064 71 R 4.1457 7.7597 117.5199 57.4539 30.6725 175.9255 72 H 4.7925 6.9524 112.9708 55.0017 29.3529 172.9496 73 E 3.6055 8.1668 121.5516 59.4227 27.1733 175.3391 74 G 4.5002 8.0788 99.5264 46.1027 0.0000 173.1573 75 Q 4.7582 7.4073 116.0539 53.7387 33.9545 175.0602 76 V 4.0303 8.4529 123.1075 60.7139 33.3970 174.8774 77 V 4.8995 8.4676 125.3098 61.1731 33.7723 174.0926 78 I 4.7924 8.6151 129.3228 60.0651 38.6584 175.2656 79 G 4.0130 9.0173 112.9710 45.3293 0.0000 172.2384 80 R 4.0326 8.6273 115.0744 56.9041 27.8397 176.6190 81 V 4.4211 8.0402 117.5093 63.1529 32.0438 175.3823 82 V 4.8245 9.4846 127.8855 60.1506 35.2428 174.3228 83 S 5.0508 8.3388 115.7374 56.4168 65.9243 173.6502 84 S 4.0951 9.6410 119.6239 58.4197 62.9465 174.8191 85 S 4.0028 8.9775 122.7781 61.9306 62.5737 176.1132 86 A 3.9985 7.9877 119.7984 54.2912 18.6754 177.4112 87 A 4.6581 7.8426 117.7094 51.0207 19.1386 177.7537 88 R 4.3280 7.5334 119.4098 53.5050 31.8041 177.1178 *91 G 3.9028 8.0116 117.1913 45.2615 0.0000 172.6846 92 L 4.4315 8.0262 121.0946 57.4209 42.0284 178.8922 93 G 3.9821 8.3552 104.4156 48.5232 0.0000 174.6012 94 H 4.7324 8.2066 120.1828 58.7120 30.3491 177.0127 95 Q 3.9683 7.8434 118.4647 58.4465 28.4851 178.2138 96 L 3.9904 8.1541 116.9456 56.1974 40.9767 178.1175 *98 E 4.0511 8.0265 121.7039 56.1933 31.0589 177.9907 99 R 3.7855 7.5789 117.1222 58.2709 29.8995 178.9212 100 A 4.0382 7.7497 121.0245 55.1332 18.8689 179.5936 101 L 4.2035 7.8741 116.8719 57.9723 41.4712 179.4836 102 Q 3.9487 7.8335 119.2683 58.8748 28.9689 177.9002 103 A 3.9195 7.6901 121.4615 54.7761 18.4990 179.4386 104 A 4.2389 8.5208 119.8368 55.0798 18.1612 179.5784 105 E 3.8672 7.7084 116.9348 59.7479 29.8507 178.9735 106 R 3.9396 7.3704 116.7334 59.0507 30.2495 178.5717 107 L 3.5785 7.3383 118.1872 56.4633 42.8499 178.2526 108 W 5.1702 7.6930 116.2995 55.1714 29.7186 175.0753 109 L 3.8771 7.7593 117.9271 56.7049 42.2452 176.1367 110 D 4.4340 8.8666 123.2140 55.1920 38.7185 173.3414 111 T 4.3300 8.0860 117.3678 61.7549 69.2751 173.0233 112 P 4.6901 0.0000 0.0000 63.3973 32.6320 175.1850 113 V 5.0582 8.7205 121.5692 61.6392 34.3403 173.7690 114 Y 5.3078 9.1363 127.1758 56.2292 42.6825 173.6356 115 L 4.4949 6.9634 120.7966 54.9112 42.9616 173.5725 116 S 4.7912 8.4704 115.4287 57.0226 63.8155 172.7737 117 A 4.5537 8.5706 127.3985 50.0739 23.5599 174.7542 118 Q 4.4120 8.3155 117.5777 55.4807 29.3270 177.9570 119 A 4.0902 8.5304 127.1784 55.1114 18.8488 178.9088 120 H 4.4396 7.7270 110.2126 58.5740 28.7418 177.7864 121 L 4.4449 7.0548 121.1724 55.6175 41.3738 178.9495 122 Q 4.0199 8.0695 121.4357 60.6198 29.4250 176.2268 123 A 4.0279 8.0917 121.3387 55.3245 18.3769 178.6517 124 Y 3.8546 7.5296 118.2614 61.1947 39.0153 177.9555 125 Y 4.5920 8.0051 116.6508 60.0175 37.9535 177.8426 126 G 3.8423 8.1125 106.8400 47.0694 0.0000 175.7325 127 R 3.8807 7.4345 119.1624 57.8861 29.9366 176.6997 128 Y 4.6926 7.6097 116.2402 57.6657 38.7105 176.9896 129 G 3.9136 8.1799 106.5407 45.4499 0.0000 173.7360 130 F 4.8338 8.0049 118.4421 56.1502 40.6811 174.8791 131 V 4.5700 8.2585 122.5973 60.7294 33.9761 174.9784 132 A 4.4509 8.6776 128.6925 52.1959 18.5643 177.7212 133 V 4.3178 8.9869 114.5105 60.9144 33.5467 175.1473 134 T 4.6460 7.7019 108.7716 59.3544 71.4083 172.5954 135 E 4.4174 8.4495 122.9434 54.8900 30.8561 175.2734 136 V 4.2533 8.0809 121.0002 61.5271 32.3214 175.1047 137 Y 4.9801 8.5246 121.5527 55.2928 42.1389 173.7243 138 L 4.8706 8.6240 120.2205 53.6294 43.1142 175.8028 139 E 4.4088 8.7052 125.0053 55.4877 31.4192 175.6956 140 D 4.3268 9.6344 127.8554 55.4973 38.4463 174.3084 141 D 4.5296 8.1028 115.4335 54.2231 41.0977 172.4161 142 I 4.4908 7.9306 120.1598 58.7927 40.2648 172.6523 143 P 4.6004 0.0000 0.0000 64.1789 32.0369 174.9302 144 H 5.1511 9.3177 121.6485 54.1104 33.4247 172.0403 145 I 4.5501 8.9622 119.0158 59.9548 41.6633 174.4399 146 G 4.8656 9.7956 116.6615 44.5803 0.0000 172.4803 *148 R 4.9550 8.2137 115.3043 56.0153 31.4258 174.2738 149 R 4.8160 8.9967 121.1564 54.0971 32.8400 175.5524 150 A 4.1679 8.5428 127.7702 52.5453 18.4277 176.9032 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 L 8.18 4.50 0.00 1.72 1.55 1.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.82 4.89 0.00 2.66 2.61 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 5 W 8.93 5.34 0.00 3.17 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 6 T 8.54 4.75 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 1.27 0.00 0.00 7 C 8.81 5.22 0.00 3.04 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 8 K 8.85 4.59 0.00 1.90 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.44 7.81 9 H 8.72 4.14 0.00 3.06 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.60 4.12 0.00 3.56 3.77 0.00 5.52 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.81 4.09 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 12 D 8.43 4.78 0.00 2.67 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 13 L 7.76 4.42 0.00 1.77 1.67 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.63 4.59 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 1.22 0.00 0.00 15 L 8.33 4.06 0.00 1.70 1.76 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.98 4.10 0.00 1.88 1.94 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.58 7.81 17 E 8.16 4.30 0.00 2.39 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 2.50 2.26 0.00 18 L 8.05 3.95 0.00 1.94 1.75 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.18 4.00 0.00 3.22 3.16 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 20 A 8.81 3.99 1.47 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 0.00 0.00 21 L 8.20 3.65 0.00 1.42 1.95 0.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.88 3.91 0.00 1.68 1.58 0.87 0.59 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 23 Q 7.96 3.66 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 24 L 8.01 3.83 0.00 1.54 1.39 0.75 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.69 3.77 0.00 2.02 2.24 0.00 2.87 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.41 0.00 26 T 8.03 3.92 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 1.17 0.00 0.00 27 E 8.11 3.81 0.00 2.02 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 2.25 0.00 28 V 7.24 3.70 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.79 0.00 0.00 29 F 7.68 4.60 0.00 3.58 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 30 V 7.74 4.82 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 1.52 0.00 0.00 1.06 0.00 0.00 31 V 8.04 3.80 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 0.98 0.00 0.00 0.92 0.00 0.00 32 E 8.62 4.05 0.00 2.12 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 0.00 2.38 2.31 0.00 33 Q 7.89 4.33 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 34 K 7.86 3.75 0.00 1.91 1.89 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 35 C 7.80 4.66 0.00 2.88 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 36 P 0.00 4.70 0.00 2.26 2.11 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 37 Y 7.88 4.80 0.00 3.10 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 38 Q 8.16 4.01 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 39 E 7.70 3.26 0.00 1.60 1.75 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 2.26 2.30 0.00 40 V 7.32 3.90 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 0.85 0.00 0.00 0.85 0.00 0.00 41 D 8.14 4.48 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 42 G 8.19 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 43 L 7.82 4.46 0.00 1.70 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.01 4.74 0.00 2.71 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 45 L 7.71 4.36 0.00 1.55 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.49 4.51 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 0.96 0.00 0.00 0.98 0.00 0.00 47 G 8.16 4.02 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 0.00 0.00 0.00 48 D 9.10 5.32 0.00 2.91 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 49 T 8.23 4.47 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 1.41 0.00 0.00 50 H 10.02 5.39 0.00 3.25 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.20 5.13 0.00 3.21 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.65 5.18 0.00 1.84 1.50 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.31 3.66 -0.18 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 55 W 8.82 4.94 0.00 3.18 3.17 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 56 R 8.96 4.44 0.00 1.74 1.70 0.00 3.40 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 57 D 9.78 4.21 0.00 2.88 2.78 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 58 G 8.69 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 0.00 0.00 0.00 59 Q 7.82 4.54 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 60 L 7.65 3.55 0.00 0.40 1.02 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.39 4.50 0.00 1.40 1.53 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.29 4.89 1.10 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 0.00 0.00 63 Y 8.97 5.48 0.00 3.02 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 64 L 6.10 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0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.17 3.61 0.00 2.12 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 2.23 2.29 0.00 74 G 8.08 4.50 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 0.00 75 Q 7.41 4.76 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 76 V 8.45 4.03 1.72 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 0.99 0.00 0.00 0.98 0.00 0.00 77 V 8.47 4.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.89 0.00 0.00 78 I 8.62 4.79 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.88 0.00 0.00 79 G 9.02 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 0.00 0.00 0.00 0.00 80 R 8.63 4.03 0.00 2.33 2.52 0.00 3.55 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 81 V 8.04 4.42 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 0.94 0.00 0.00 1.06 0.00 0.00 82 V 9.48 4.82 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 1.06 0.00 0.00 0.63 0.00 0.00 83 S 8.34 5.05 0.00 3.83 3.85 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 84 S 9.64 4.10 0.00 3.67 3.72 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 85 S 8.98 4.00 0.00 3.85 3.89 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 0.00 0.00 0.00 86 A 7.99 4.00 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 87 A 7.84 4.66 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 88 R 7.53 4.33 0.00 1.75 1.84 0.00 3.21 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.84 0.00 *91 G 8.01 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 0.00 0.00 0.00 92 L 8.03 4.43 0.00 1.80 1.87 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.36 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 94 H 8.21 4.73 0.00 3.30 3.66 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.84 3.97 0.00 2.52 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 96 L 8.15 3.99 0.00 1.96 1.77 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 8.03 4.05 0.00 1.75 1.70 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 2.14 2.25 0.00 99 R 7.58 3.79 0.00 1.58 1.67 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.13 0.00 100 A 7.75 4.04 1.38 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 117 A 8.57 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.32 4.41 0.00 1.70 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 119 A 8.53 4.09 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 0.00 120 H 7.73 4.44 0.00 3.28 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.05 4.44 0.00 1.74 1.80 1.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.07 4.02 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 123 A 8.09 4.03 1.35 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 0.00 0.00 0.00 124 Y 7.53 3.85 0.00 3.02 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 0.00 125 Y 8.01 4.59 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.43 3.88 0.00 0.72 1.11 0.00 2.53 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 128 Y 7.61 4.69 0.00 3.34 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 0.00 129 G 8.18 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 0.00 130 F 8.00 4.83 0.00 3.30 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 0.00 131 V 8.26 4.57 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 0.79 0.00 0.00 0.95 0.00 0.00 132 A 8.68 4.45 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 0.00 133 V 8.99 4.32 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 0.85 0.00 0.00 1.21 0.00 0.00 134 T 7.70 4.65 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 135 E 8.45 4.42 0.00 1.99 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 2.30 2.39 0.00 136 V 8.08 4.25 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 0.79 0.00 0.00 0.88 0.00 0.00 137 Y 8.52 4.98 0.00 3.04 3.06 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 0.00 138 L 8.62 4.87 0.00 1.56 1.64 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.71 4.41 0.00 1.54 1.21 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 2.19 2.40 0.00 140 D 9.63 4.33 0.00 2.60 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 0.00 141 D 8.10 4.53 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.93 4.49 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 1.33 1.20 0.99 0.00 0.00 143 P 0.00 4.60 0.00 2.11 2.17 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 144 H 9.32 5.15 0.00 2.25 2.83 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.96 4.55 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 1.19 1.65 0.85 0.00 0.00 146 G 9.80 4.87 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 *148 R 8.21 4.95 0.00 2.18 2.55 0.00 3.04 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 149 R 9.00 4.82 0.00 0.67 1.13 0.00 2.72 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.32 0.00 150 A 8.54 4.17 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 * Residues marked with a * may have inaccurate shift predictions.