NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1667 8.0249 120.7872 60.8596 39.1788 174.6718 3 Q 4.4853 8.3714 123.6785 52.3211 32.3854 173.2969 4 S 4.9025 9.1853 116.4793 56.6512 67.1216 173.1441 5 Q 4.5772 8.7450 121.5473 54.8664 30.0411 175.8445 6 I 4.5116 8.1194 110.2988 60.0614 39.1052 174.7296 7 N 4.9640 7.8290 120.4729 51.1956 41.3435 174.9375 8 R 4.0198 8.5597 122.3617 58.9027 29.6740 178.4696 9 N 4.4101 8.9447 118.0707 55.8931 38.3944 177.3535 10 I 3.6950 7.4575 121.7268 64.5980 37.2528 178.6674 11 R 4.0294 7.8948 118.2079 58.9515 29.9829 178.8839 12 L 4.1859 8.1217 118.9977 57.4854 41.5576 179.1654 13 D 4.3257 8.2958 119.2800 57.0633 40.6704 178.2670 14 L 3.8793 7.8982 120.6448 58.2520 42.0266 178.6739 15 A 4.1095 8.3702 120.9377 55.6012 18.2464 179.3251 16 D 4.2899 8.1602 116.8767 57.5196 40.8306 178.9641 17 A 4.0297 8.0533 121.2818 55.0653 18.3602 179.8078 18 I 3.6581 8.0502 118.7793 64.5787 37.2279 178.6674 19 L 4.0815 8.1714 120.0086 57.5639 41.3241 179.4553 20 L 3.9254 7.9246 120.3633 58.0392 42.1121 178.6553 21 S 4.0407 8.1587 113.2832 61.3838 62.2722 175.8871 22 K 3.7434 8.4683 122.1965 59.7008 31.9539 178.5224 23 A 3.9526 8.0414 120.7383 55.0668 18.0657 179.7343 24 K 3.9437 8.2030 116.5106 59.2164 32.2272 178.8583 25 K 4.1700 8.0165 115.8396 55.4810 32.9933 175.9205 26 D 4.2702 7.5593 117.9833 55.0559 40.0681 172.9536 27 L 4.6853 7.7442 116.9808 53.7031 43.8334 177.3850 28 S 4.6517 8.4329 115.6905 56.8800 66.4549 175.4994 29 F 4.2707 8.3779 121.0937 60.4658 38.7326 177.8219 30 A 4.1008 8.1144 120.4679 55.2300 18.0718 179.3806 31 E 3.9970 8.1442 114.8691 59.5148 29.7806 179.0309 32 I 3.8316 7.6481 119.9432 64.1507 37.5822 177.8761 33 A 4.2185 8.1967 121.2638 53.2216 18.3733 177.1297 34 D 4.4377 7.2352 117.1095 56.2173 41.5327 176.8139 35 G 4.0433 9.0188 114.6323 45.7474 0.0000 174.2838 36 T 4.0135 7.8563 115.7729 64.2254 68.8216 176.6584 37 G 3.8641 8.3932 107.6671 45.5012 0.0000 172.8079 38 L 4.7578 7.0334 118.3190 51.7996 44.9511 176.9646 39 A 4.1595 8.2843 122.6490 52.0252 20.1825 178.4344 40 E 3.9116 8.9394 123.3914 59.5743 29.6940 179.4435 41 A 3.9125 7.9404 120.2102 54.8904 18.5190 179.3011 42 F 3.8052 8.1240 118.7544 61.3784 39.6000 177.4524 43 V 3.6033 8.0424 117.9132 66.2592 31.3281 178.1013 44 T 3.7266 8.1028 115.4021 66.4901 68.1695 176.3734 45 A 3.8074 7.7846 122.4050 55.0426 18.3259 179.4795 46 A 4.1927 7.5565 120.3882 54.8393 18.2279 179.8192 47 L 4.0001 7.8093 116.2500 57.6287 41.6998 178.7722 48 L 4.5059 7.6181 116.5712 54.4231 41.6069 177.3990 49 G 3.8935 8.0892 106.6976 45.8414 0.0000 174.5027 50 Q 4.5103 8.1909 116.1182 55.3205 30.1678 174.8738 51 Q 4.6348 7.4372 115.8676 54.2279 33.8621 173.1117 52 A 4.9387 8.5040 121.5893 50.5087 21.0375 176.4753 53 L 4.6789 8.7099 121.8623 52.8573 43.7023 175.3013 54 P 4.3442 0.0000 0.0000 62.2875 32.2580 177.3129 55 A 4.0124 8.6396 122.0541 55.6730 18.2001 180.0254 56 D 4.2836 8.0967 116.6824 57.3076 40.9089 178.6844 57 A 4.0175 8.0000 120.7944 54.9669 18.4060 179.3230 58 A 3.9541 8.2532 119.4570 55.4779 18.4876 180.1214 59 R 3.8726 8.3017 116.7923 59.0537 30.1368 179.1220 60 L 3.9320 7.9401 120.1793 58.4276 42.2102 179.5540 61 V 3.7873 8.1265 112.6714 64.2054 31.4159 178.6609 62 G 3.7075 8.4904 105.7467 47.9964 0.0000 175.5560 63 A 4.1446 8.1705 122.9099 54.7053 18.1890 179.8934 64 K 4.0157 7.9015 115.8605 58.5638 32.2096 178.4875 65 L 4.4398 7.6575 116.5401 53.2575 42.7023 175.7000 66 D 4.3901 7.6102 117.7933 55.2850 38.6059 173.9663 67 L 4.3542 8.1180 118.2167 54.0269 43.1223 177.6978 68 D 4.7290 8.2197 121.4717 52.7098 42.1394 177.3164 69 E 4.0193 8.5269 118.3956 59.5392 29.3050 179.2829 70 D 4.3851 8.0510 118.6199 57.3906 40.9214 178.7799 71 S 4.1185 8.7223 116.0328 61.7397 62.6214 176.8527 72 I 3.7730 7.6278 121.4286 64.1095 37.0596 177.9900 73 L 4.2632 8.1163 121.4400 58.0843 41.7117 178.9106 74 L 4.0194 7.8904 118.2213 57.8504 41.7808 179.3149 75 L 4.1244 8.0472 118.5590 56.8272 42.4162 177.5701 76 Q 4.7357 7.4921 119.4944 54.1315 27.7682 176.0131 *78 I 4.0880 7.2671 118.8842 60.5843 39.2518 175.6521 79 P 4.7099 0.0000 0.0000 62.2095 32.9682 176.1449 80 L 4.3613 8.2910 123.3749 53.9220 41.4564 176.4745 81 R 4.1242 8.2192 124.7534 55.8364 30.8354 175.1785 82 G 3.0393 8.3201 107.1441 44.9479 0.0000 173.4518 83 C 4.3397 8.1719 122.0487 58.1759 30.7087 174.1638 84 I 4.0885 7.4311 122.1773 60.3341 37.6644 174.7946 85 D 4.4820 8.8936 125.6899 57.0562 41.4108 176.6543 86 D 4.6276 7.2351 115.9615 53.1880 41.4690 174.0984 87 R 4.1758 8.2661 126.8489 56.6302 29.3479 176.9064 88 I 4.0825 7.1796 115.9608 58.3053 39.1227 173.9475 89 P 4.4399 0.0000 0.0000 62.9053 31.8155 176.4516 90 T 4.2233 8.3020 111.1327 63.0608 69.8061 175.0690 91 D 4.5112 7.9605 121.6282 53.2869 42.1233 174.0399 92 P 4.5045 0.0000 0.0000 66.2288 32.1077 179.0217 93 T 3.8061 7.8361 109.9827 64.9027 67.9528 175.1926 *95 Y 4.3966 7.9102 125.1398 57.6871 40.4148 177.2413 96 R 3.9155 8.0648 117.8192 59.3929 30.0511 178.7201 97 F 4.1587 7.4279 115.3197 60.4241 39.0944 176.7433 98 Y 4.1146 7.9336 118.9165 60.1707 38.8841 178.1219 99 E 4.0145 8.0273 122.5651 55.7326 29.1569 178.4097 *101 L 4.2151 7.9106 119.2402 54.7194 43.9796 179.7142 102 Q 3.8110 7.7219 116.8296 58.5956 28.8609 177.9480 103 V 3.6130 7.9084 117.0517 64.9537 31.9105 176.1853 104 Y 4.6872 7.7385 114.2926 57.5725 38.9895 177.5281 105 G 3.6233 8.4454 109.7114 48.1636 0.0000 176.3661 106 T 4.0212 7.8416 111.8553 64.5129 68.8996 176.8359 107 T 3.9041 7.9067 118.4002 66.3589 68.5330 176.2426 108 L 3.9820 8.4762 121.3605 57.7520 41.6628 179.4175 109 K 3.7713 8.1088 118.9886 59.4892 32.1631 178.5169 110 A 4.0211 8.1729 120.9491 55.4216 18.3303 179.7149 111 L 4.0373 8.4421 117.8337 57.6216 41.5698 179.8568 112 V 3.8522 8.2446 118.9227 66.4914 30.9421 177.8791 113 H 5.0026 8.3298 117.3736 58.2754 28.2723 177.4751 114 E 3.9408 8.1265 120.4510 59.2663 29.6161 178.6247 115 K 3.9696 8.0883 117.0471 57.8291 32.2810 177.9484 116 F 4.2440 9.0217 115.6191 61.0142 41.1800 175.4448 117 G 3.8821 7.3057 102.7833 43.8251 0.0000 171.9565 118 D 4.6710 8.6067 119.6974 54.2765 42.3283 176.5415 119 G 4.0534 7.8441 112.2476 45.4948 0.0000 172.0125 120 I 4.7979 8.1492 114.8005 59.3129 41.8446 174.5816 121 I 4.6487 8.1061 123.5436 59.7868 38.0200 175.9727 122 S 4.2520 9.1143 122.9805 58.2214 62.9334 173.6906 123 A 4.0701 8.4533 126.7832 51.8578 19.4404 176.7504 124 I 4.3220 7.6992 116.6007 63.5589 39.3430 176.5584 125 N 4.7774 8.0649 122.4919 51.8802 37.5073 172.3642 126 F 5.3417 7.9807 122.0644 56.5662 42.8779 172.5356 127 K 4.5510 8.0511 123.9855 55.1174 36.2751 174.7561 128 L 5.5708 8.2744 120.0716 53.3082 43.9515 174.8329 129 D 4.7768 8.3134 117.4274 52.1800 43.0844 173.8284 130 V 4.7857 8.3238 119.3022 61.1508 33.8407 174.7211 131 K 4.7249 9.0671 126.8991 54.4158 35.8445 174.8849 132 K 4.8887 8.6263 124.9688 55.2748 33.4567 175.7195 133 V 4.5910 8.7003 126.6492 60.6494 34.9317 174.5618 134 A 4.4252 8.6631 128.7484 52.0225 19.3996 176.3563 135 D 4.6404 8.9580 121.5170 52.4581 42.2357 176.0569 136 P 4.3258 0.0000 0.0000 65.4848 31.5828 176.8591 137 E 4.2139 8.4537 116.9310 55.8672 29.6664 176.2347 138 G 4.0606 8.3769 107.9833 45.6215 0.0000 175.6492 139 G 3.8527 9.3572 108.0964 43.9607 0.0000 171.7358 140 E 5.1805 8.3188 117.0877 54.7584 33.7307 175.4074 141 R 4.8238 9.4749 120.0637 54.4300 34.5423 174.1369 142 A 5.0148 8.5714 122.9216 50.5270 21.0605 176.6500 143 V 4.1979 8.9148 123.2080 61.4240 33.3941 174.3627 144 I 4.8144 8.3848 129.3540 60.0479 39.0312 175.3456 145 T 4.5509 8.8074 124.5162 61.7904 70.7366 173.2772 146 L 4.8336 8.5669 126.8411 53.1468 43.6365 175.7543 147 D 4.6088 8.5954 123.4304 52.4987 43.7664 174.1651 148 G 4.6372 8.5539 112.1799 43.8745 0.0000 170.9330 149 K 4.3300 8.8636 124.1365 56.1464 33.6593 175.2793 150 Y 4.7314 8.5327 128.0566 57.3631 39.7040 174.2597 151 L 4.4748 8.5021 127.4204 52.0288 44.1364 174.3712 152 P 4.5117 0.0000 0.0000 62.6984 32.5201 175.9740 153 T 4.4478 8.5771 118.8953 62.5690 69.5128 174.3120 154 K 4.6510 8.4855 125.4966 53.4630 35.3789 174.5893 155 P 4.4252 0.0000 0.0000 62.6570 31.9854 176.6919 156 F 4.5648 7.8771 114.8049 57.0869 37.9605 174.8360 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 2 I 8.02 4.17 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 1.42 1.35 0.91 0.00 0.00 3 Q 8.37 4.49 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.19 4.90 0.00 3.91 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 5 Q 8.74 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.12 4.51 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 1.30 0.66 0.91 0.00 0.00 7 N 7.83 4.96 0.00 2.76 2.65 0.00 0.00 6.95 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 8 R 8.56 4.02 0.00 2.06 2.28 0.00 3.11 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.94 4.41 0.00 2.81 2.91 0.00 0.00 6.83 6.99 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 10 I 7.46 3.70 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 1.52 0.89 0.91 0.00 0.00 11 R 7.89 4.03 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.49 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.12 4.19 0.00 1.69 1.71 0.91 0.85 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 13 D 8.30 4.33 0.00 2.84 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 14 L 7.90 3.88 0.00 1.77 1.86 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.37 4.11 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 16 D 8.16 4.29 0.00 2.88 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 17 A 8.05 4.03 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 18 I 8.05 3.66 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.96 0.00 0.00 19 L 8.17 4.08 0.00 1.84 1.74 0.99 0.72 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 20 L 7.92 3.93 0.00 1.78 1.79 0.92 0.86 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 21 S 8.16 4.04 0.00 3.91 3.96 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 22 K 8.47 3.74 0.00 1.77 1.92 0.00 1.12 0.00 0.00 1.15 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.23 7.81 23 A 8.04 3.95 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 24 K 8.20 3.94 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 25 K 8.02 4.17 0.00 1.78 1.82 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.49 7.81 26 D 7.56 4.27 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.74 4.69 0.00 1.70 1.44 0.92 0.63 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 28 S 8.43 4.65 0.00 4.05 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 29 F 8.38 4.27 0.00 3.20 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 30 A 8.11 4.10 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 31 E 8.14 4.00 0.00 2.15 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 2.55 2.32 0.00 32 I 7.65 3.83 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.97 0.00 0.00 33 A 8.20 4.22 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 34 D 7.24 4.44 0.00 2.79 2.77 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 35 G 9.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.86 4.01 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 1.29 0.00 0.00 37 G 8.39 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.03 4.76 0.00 1.88 1.64 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 4.16 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 40 E 8.94 3.91 0.00 2.08 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 0.00 2.43 2.47 0.00 41 A 7.94 3.91 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 42 F 8.12 3.81 0.00 3.22 3.23 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 43 V 8.04 3.60 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 1.12 0.00 0.00 1.13 0.00 0.00 44 T 8.10 3.73 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 0.31 0.00 0.00 45 A 7.78 3.81 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 0.00 0.00 0.00 0.00 0.00 46 A 7.56 4.19 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 47 L 7.81 4.00 0.00 1.85 1.84 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.62 4.51 0.00 1.53 1.63 0.73 0.91 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 49 G 8.09 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 0.00 0.00 0.00 50 Q 8.19 4.51 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 51 Q 7.44 4.63 0.00 1.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 1.99 1.36 0.00 52 A 8.50 4.94 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 53 L 8.71 4.68 0.00 1.64 1.64 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.34 0.00 2.20 1.99 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 55 A 8.64 4.01 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 56 D 8.10 4.28 0.00 2.71 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 57 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.25 3.95 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 59 R 8.30 3.87 0.00 2.09 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 60 L 7.94 3.93 0.00 1.93 1.79 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.13 3.79 2.11 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 0.80 0.00 0.00 1.04 0.00 0.00 62 G 8.49 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.17 4.14 1.37 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 0.00 0.00 0.00 64 K 7.90 4.02 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.73 7.81 65 L 7.66 4.44 0.00 1.71 1.68 0.93 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 66 D 7.61 4.39 0.00 2.77 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 67 L 8.12 4.35 0.00 1.60 1.59 0.93 0.95 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 68 D 8.22 4.73 0.00 2.95 2.82 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 69 E 8.53 4.02 0.00 2.00 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 0.00 2.40 2.34 0.00 70 D 8.05 4.39 0.00 2.68 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 71 S 8.72 4.12 0.00 4.01 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 72 I 7.63 3.77 2.03 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 1.41 0.56 0.92 0.00 0.00 73 L 8.12 4.26 0.00 1.87 1.86 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.89 4.02 0.00 1.79 1.72 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.05 4.12 0.00 1.90 1.73 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.49 4.74 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.39 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 *78 I 7.27 4.09 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 1.42 0.75 0.92 0.00 0.00 79 P 0.00 4.71 0.00 2.10 2.05 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 80 L 8.29 4.36 0.00 1.67 1.64 0.91 0.93 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 81 R 8.22 4.12 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 82 G 8.32 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 0.00 0.00 0.00 83 C 8.17 4.34 0.00 3.05 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 84 I 7.43 4.09 1.85 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 0.54 0.89 0.00 0.00 85 D 8.89 4.48 0.00 2.61 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 86 D 7.24 4.63 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.27 4.18 0.00 1.97 2.03 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 88 I 7.18 4.08 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.61 0.00 0.00 89 P 0.00 4.44 0.00 2.18 2.04 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 90 T 8.30 4.22 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 1.20 0.00 0.00 91 D 7.96 4.51 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.50 0.00 2.26 2.12 0.00 3.69 0.00 0.00 3.94 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 93 T 7.84 3.81 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 1.35 0.00 0.00 *95 Y 7.91 4.40 0.00 3.22 3.22 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 0.00 96 R 8.06 3.92 0.00 1.54 1.73 0.00 3.40 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 97 F 7.43 4.16 0.00 3.15 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 98 Y 7.93 4.11 0.00 2.92 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 99 E 8.03 4.01 0.00 1.93 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 2.30 2.37 0.00 *101 L 7.91 4.22 0.00 1.60 1.58 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.72 3.81 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 1.66 2.27 0.00 103 V 7.91 3.61 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 0.10 0.00 0.00 0.83 0.00 0.00 104 Y 7.74 4.69 0.00 2.98 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 0.00 105 G 8.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.84 4.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 107 T 7.91 3.90 4.59 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 1.33 0.00 0.00 108 L 8.48 3.98 0.00 1.82 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.11 3.77 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 A 8.17 4.02 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 0.00 111 L 8.44 4.04 0.00 1.75 1.76 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.24 3.85 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 1.10 0.00 0.00 1.00 0.00 0.00 113 H 8.33 5.00 0.00 3.25 3.34 0.00 5.68 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 0.00 114 E 8.13 3.94 0.00 2.04 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 2.28 2.33 0.00 115 K 8.09 3.97 0.00 1.36 1.15 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.50 7.81 116 F 9.02 4.24 0.00 2.46 1.45 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 0.00 117 G 7.31 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 0.00 118 D 8.61 4.67 0.00 2.79 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 0.00 119 G 7.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.15 4.80 1.85 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 1.17 1.22 0.91 0.00 0.00 121 I 8.11 4.65 1.82 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 1.09 0.71 0.90 0.00 0.00 122 S 9.11 4.25 0.00 3.89 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 0.00 123 A 8.45 4.07 0.99 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 0.00 124 I 7.70 4.32 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 1.27 0.96 0.93 0.00 0.00 125 N 8.06 4.78 0.00 2.80 2.74 0.00 0.00 6.73 7.33 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 0.00 126 F 7.98 5.34 0.00 3.17 2.95 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 0.00 127 K 8.05 4.55 0.00 1.62 1.66 0.00 1.21 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.14 7.81 128 L 8.27 5.57 0.00 1.72 1.50 1.04 0.85 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 0.00 129 D 8.31 4.78 0.00 2.66 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 0.00 130 V 8.32 4.79 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.07 4.72 0.00 1.70 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 132 K 8.63 4.89 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.70 4.59 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 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.66 4.43 1.24 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 0.00 0.00 135 D 8.96 4.64 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.33 0.00 2.22 2.17 0.00 3.81 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 1.99 1.99 0.00 137 E 8.45 4.21 0.00 1.98 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 2.32 2.25 0.00 138 G 8.38 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.36 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 0.00 0.00 0.00 140 E 8.32 5.18 0.00 1.82 1.82 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 2.21 2.32 0.00 141 R 9.47 4.82 0.00 1.68 1.77 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.57 5.01 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 0.00 143 V 8.91 4.20 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.81 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.00 0.00 0.00 145 T 8.81 4.55 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 1.19 0.00 0.00 146 L 8.57 4.83 0.00 1.64 1.94 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.60 4.61 0.00 2.58 2.40 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 0.00 0.00 0.00 0.00 148 G 8.55 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.86 4.33 0.00 1.88 1.69 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 150 Y 8.53 4.73 0.00 2.35 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.50 4.47 0.00 1.42 1.38 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.51 0.00 2.05 1.98 0.00 3.49 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 153 T 8.58 4.45 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 1.30 0.00 0.00 154 K 8.49 4.65 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.43 0.00 2.02 1.92 0.00 3.65 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 2.03 2.07 0.00 156 F 7.88 4.56 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.