NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6237 8.2233 120.1946 53.8761 42.7045 176.1955 3 D 4.3291 8.4289 121.6604 56.2600 40.6874 177.5456 4 R 3.9266 8.1165 118.3398 59.2017 30.4806 177.9074 5 L 3.9667 7.9350 119.7422 58.0933 41.8888 178.5940 6 F 4.1953 7.8941 118.9255 61.4939 39.4720 176.9739 7 R 3.9223 7.9422 116.2581 59.1963 29.9073 178.4584 8 N 4.4083 8.3765 115.4395 56.1756 38.7440 177.8479 9 A 4.0347 7.8975 118.3171 53.1537 18.2131 179.1726 *11 G 3.6452 8.0656 110.3598 46.5648 0.0000 175.3911 12 K 3.8980 8.0699 118.1093 57.5177 32.1645 176.6333 13 F 4.7227 7.9649 121.5439 56.2872 39.1814 174.8473 14 A 4.6981 8.1042 130.4551 52.3908 19.1580 175.9996 15 T 4.5277 8.7025 109.7658 60.0532 73.2131 173.7423 16 G 4.2776 8.5102 109.1579 44.9083 0.0000 172.6124 17 V 4.7972 8.3317 118.2092 61.2543 34.9930 174.8811 18 T 5.0975 8.8298 116.5789 59.9896 72.8150 172.4671 19 V 4.4877 8.5521 122.0495 61.1283 34.2866 174.2469 20 I 4.7522 8.1530 128.5475 60.4787 38.8224 174.8085 21 T 5.0679 8.8658 117.0247 60.4847 72.2967 172.6260 22 T 4.8090 8.6219 116.3068 61.2119 71.8544 171.4813 23 E 4.9877 8.5962 124.4050 54.1507 32.2966 174.7755 24 L 4.4975 8.6086 129.0968 52.9209 42.6313 174.6242 25 N 4.1882 8.4977 122.2047 54.7933 39.1000 173.7182 26 G 4.3050 9.6464 114.0871 45.4804 0.0000 173.6902 27 A 4.5549 7.8755 122.1684 49.6432 21.9559 174.5951 28 V 4.4498 8.0590 121.9731 61.9364 32.8008 174.7979 29 H 4.9712 9.2727 124.9626 54.1736 32.2350 173.2120 30 G 4.6520 8.4761 108.3541 44.4958 0.0000 171.2973 *32 T 4.3953 8.3964 114.7854 63.3839 69.7590 173.5581 33 A 4.7402 8.8316 128.2180 50.5892 22.2306 175.9409 34 N 4.9881 8.7686 116.6425 52.5944 39.1479 175.5837 35 A 4.4201 7.7336 124.0320 50.9770 17.0370 175.3518 36 F 5.5084 7.6350 122.3731 54.6693 43.5172 173.4812 *38 S 4.0051 8.2977 115.9043 58.1573 62.7703 171.9629 39 V 4.1365 8.2072 125.8876 63.7596 33.1068 175.3393 40 S 4.6844 7.4520 113.0227 56.3640 65.6641 174.1838 41 L 3.9583 8.6843 128.3779 57.0632 42.2793 176.5519 42 N 4.8207 7.8269 118.2686 50.5455 39.8559 172.4969 43 P 4.5109 0.0000 0.0000 61.6683 32.7046 176.7901 44 K 4.5593 8.3330 117.6662 56.0726 31.8197 176.1235 45 L 5.4720 9.0228 125.4398 52.7334 45.6110 175.9822 46 V 4.8436 8.9349 120.2713 60.1283 35.5014 173.8292 47 L 5.5081 8.2786 122.2202 53.4103 45.7346 175.2923 48 V 4.8541 8.7648 123.7253 59.9507 35.2245 174.1190 49 S 5.1870 8.7664 116.8515 56.7359 64.4582 173.1462 50 I 4.6643 8.9324 128.2751 59.1537 40.3388 175.5213 51 G 3.6970 8.6107 113.7663 45.6981 0.0000 174.3517 52 E 4.0113 8.8228 121.8365 58.8669 29.5237 178.1772 53 K 4.2548 7.9019 115.5681 56.0014 32.5087 175.9183 54 A 4.3747 7.8703 123.8693 51.0414 18.8947 178.1529 55 K 3.7144 8.6448 126.8917 56.7133 33.2125 178.8490 *57 L 4.3428 8.0758 120.6514 55.1058 44.0335 178.1780 58 E 4.2839 7.9746 117.8316 58.8803 29.4194 178.9521 59 K 3.8660 7.6741 118.1466 59.3686 32.0058 179.3802 60 I 3.6683 7.4538 119.4970 64.1182 37.1569 178.0958 61 Q 4.1275 8.0628 118.9884 59.2274 28.3340 179.2056 62 Q 4.0827 8.0654 118.0352 59.1104 29.0086 178.7163 63 S 4.1928 8.0172 113.8417 59.2158 63.1615 174.7255 64 K 4.0052 8.3943 120.4905 56.6080 30.1395 174.2898 65 K 5.1063 7.6900 115.9469 56.0988 35.9357 174.6858 66 Y 5.0288 8.1914 116.8070 56.2391 41.4914 173.1669 67 A 5.1443 9.2810 122.9620 50.2922 22.8216 175.5644 68 V 4.3908 8.9553 119.9435 61.2459 34.0099 174.3890 69 N 4.9317 9.1259 126.9114 51.5623 40.3011 174.3312 70 I 4.3155 8.3217 126.4261 60.9452 38.6369 175.6706 71 L 4.9155 8.9409 128.1387 54.0194 43.3674 176.8798 72 S 4.8330 9.0502 117.8705 57.3040 64.5425 174.7410 73 Q 3.9194 8.9102 122.3133 59.5858 28.6630 177.4800 74 D 4.7715 7.8377 114.5501 54.5157 40.9114 176.3662 75 Q 4.6006 7.9119 118.3404 55.2971 29.8258 177.5384 76 K 3.4586 8.2917 121.7697 59.4759 32.2482 178.1062 77 V 3.6786 7.6028 117.1219 65.6964 31.9698 176.9388 78 L 4.0691 7.9222 119.5757 57.8892 41.3515 179.3846 79 S 4.3260 7.9692 109.2068 59.4562 62.2053 174.9997 *81 N 4.4544 8.2745 118.1404 53.3544 39.9419 175.7058 82 F 4.6283 8.1767 112.7176 57.9533 39.0098 175.9481 83 A 4.5135 7.7002 121.9402 51.3400 19.1772 177.4770 84 G 3.8854 7.8675 103.5183 47.0787 0.0000 174.8545 85 Q 4.4645 8.2148 116.4054 55.1638 29.6700 175.4586 86 L 4.7394 7.4025 118.2606 52.5704 43.8264 176.2885 87 E 4.0334 8.9683 122.8781 58.4659 29.6670 177.2762 88 K 4.4997 7.6269 118.7760 53.4231 34.0660 173.7924 89 P 4.4536 0.0000 0.0000 62.7377 31.9204 176.4990 90 V 3.8872 8.0104 115.1206 60.3724 32.5657 176.3236 91 D 4.4821 8.2635 121.9245 53.4121 40.1079 175.6311 92 V 3.7306 7.9286 126.3675 61.8638 32.7147 175.4813 93 Q 4.2451 8.2322 125.9678 55.3793 29.3638 174.7225 94 F 5.3535 8.6681 123.2599 56.2396 41.1856 175.7539 95 E 4.9696 9.0885 119.9382 55.1023 32.8989 173.8580 96 E 5.1099 8.6998 118.2278 55.0157 32.9779 175.8473 97 L 4.3042 9.0780 126.2035 55.1507 45.2204 175.3918 98 G 4.1070 9.3145 114.4275 45.4750 0.0000 174.0274 99 G 3.9017 8.5193 105.1597 45.0267 0.0000 173.9693 100 L 4.7178 7.6661 120.0532 51.6692 44.0141 173.8966 101 P 4.8926 0.0000 0.0000 63.0544 31.9473 175.8342 102 V 4.7285 8.9887 116.3540 59.4700 36.4469 174.3673 103 I 4.4028 9.4472 123.8804 59.7725 38.4142 175.9384 104 K 4.1435 8.2754 128.9475 57.9723 32.4527 176.3392 105 D 4.4954 8.9433 123.4707 54.5329 38.3072 174.0181 106 A 4.3429 7.4235 121.7213 52.2528 19.1674 177.9675 107 L 4.1650 8.8671 122.3545 57.5440 43.3107 176.9534 108 A 5.1782 7.6598 117.7261 50.7971 22.8859 175.1314 109 Q 5.0170 9.4170 119.3204 54.1781 33.0045 174.7168 110 I 4.9352 8.5477 123.7048 59.8594 41.1123 174.3849 111 S 4.9419 8.9027 123.8384 57.4067 64.9103 173.3656 112 C 5.1824 8.7109 120.4408 58.0852 32.7797 172.7601 113 Q 4.7548 8.5960 120.8363 53.9035 30.7632 175.2951 114 V 4.2722 8.7050 125.2637 63.5279 31.4697 175.9524 115 V 4.4321 8.6351 120.5390 61.6305 33.6518 175.2620 116 N 5.0195 7.9196 117.7137 52.3807 42.6558 172.7934 117 E 4.7166 8.6060 123.8307 54.6803 32.7094 174.4412 118 V 4.3162 8.4718 127.4489 60.8600 34.3090 174.3937 119 Q 4.3563 8.7172 129.3737 56.0401 30.3096 175.8620 120 A 4.4134 9.2989 129.3362 51.3696 21.1602 177.5151 121 G 3.8279 8.2980 114.5517 47.1390 0.0000 174.3846 122 D 4.5202 8.8137 125.4267 56.5542 40.9681 174.9957 123 H 5.3572 8.2020 115.1628 54.4602 33.9855 172.1982 124 T 4.8867 8.9668 116.6324 61.7959 71.6964 173.2859 125 L 4.8114 8.8108 126.3654 53.6309 43.6783 175.6323 126 F 5.0768 9.1259 124.1554 55.7840 40.7085 175.1371 127 I 4.5501 8.5827 126.1439 61.0395 38.3579 175.7460 128 G 4.4679 9.6392 113.4727 44.3530 0.0000 170.9237 129 E 4.9403 9.1010 125.4342 54.8283 31.3669 175.1222 130 V 4.3237 8.6060 128.2731 62.9764 31.5796 175.4760 131 T 4.4850 8.8073 118.4171 62.8641 70.2802 174.7028 132 D 4.9048 7.7543 119.7282 52.7884 45.6639 174.5499 133 I 4.9464 8.2233 121.0562 59.6243 41.4694 174.6133 134 K 4.6728 9.2730 126.6508 54.8580 35.5780 174.9569 135 I 5.0485 8.5061 126.7631 59.7470 40.5877 174.2189 136 T 4.6800 8.6430 114.0738 59.7710 72.7967 173.6504 137 E 4.4823 8.4356 117.7807 56.2932 29.8645 176.8425 138 Q 4.2375 7.8799 117.2396 55.9125 29.6978 175.5746 139 D 4.8424 8.3344 119.4635 53.3582 42.4183 174.1902 140 P 4.9922 0.0000 0.0000 61.9210 32.9988 175.4606 141 L 4.2017 8.4664 124.6254 55.4228 43.0567 175.8462 142 L 5.2244 8.8602 125.9747 53.1345 45.3743 175.1624 143 F 5.4323 9.1743 122.9306 56.7221 42.8207 173.4049 144 F 4.7038 8.8870 126.4320 57.9575 43.3456 174.0713 145 S 3.1299 8.5991 122.5095 59.4297 60.7534 173.5352 146 G 3.6212 7.5244 104.8418 45.4223 0.0000 173.8687 147 K 4.4922 7.0073 118.4710 54.1424 35.5895 174.8458 148 Y 5.1351 8.2298 118.5667 58.5519 39.0467 174.4534 149 H 5.1165 9.4464 119.1728 54.7252 34.1291 171.8291 150 Q 4.9385 8.4792 116.5330 54.0590 32.7816 175.6750 151 L 4.0778 8.5169 120.7734 54.1549 42.4017 177.2891 152 A 4.0352 8.4912 125.8003 52.7049 18.9146 177.5944 153 Q 4.2301 8.5919 120.5749 56.0093 29.0375 175.6640 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 D 8.22 4.62 0.00 2.79 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 3 D 8.43 4.33 0.00 2.87 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 4 R 8.12 3.93 0.00 1.94 1.93 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 L 7.93 3.97 0.00 1.82 1.86 0.93 0.91 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 6 F 7.89 4.20 0.00 2.98 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 7 R 7.94 3.92 0.00 1.98 1.97 0.00 3.31 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 8 N 8.38 4.41 0.00 2.83 2.82 0.00 0.00 7.03 7.26 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 9 A 7.90 4.03 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 *11 G 8.07 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 12 K 8.07 3.90 0.00 1.92 1.98 0.00 1.71 0.00 0.00 1.29 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.50 7.81 13 F 7.96 4.72 0.00 2.93 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 14 A 8.10 4.70 1.07 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 15 T 8.70 4.53 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 1.31 0.00 0.00 16 G 8.51 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 0.00 0.00 0.00 0.00 17 V 8.33 4.80 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 1.14 0.00 0.00 1.20 0.00 0.00 18 T 8.83 5.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 19 V 8.55 4.49 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 0.03 0.00 0.00 0.93 0.00 0.00 20 I 8.15 4.75 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.78 0.00 0.00 21 T 8.87 5.07 4.12 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 1.10 0.00 0.00 22 T 8.62 4.81 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 1.17 0.00 0.00 23 E 8.60 4.99 0.00 1.88 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 0.00 2.24 2.16 0.00 24 L 8.61 4.50 0.00 1.73 1.54 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.50 4.19 0.00 2.74 2.77 0.00 0.00 7.42 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 26 G 9.65 4.30 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 0.00 27 A 7.88 4.55 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 0.00 0.00 0.00 0.00 0.00 28 V 8.06 4.45 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.51 0.00 0.00 29 H 9.27 4.97 0.00 3.01 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.48 4.65 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 *32 T 8.40 4.40 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 1.21 0.00 0.00 33 A 8.83 4.74 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 0.00 0.00 0.00 0.00 0.00 34 N 8.77 4.99 0.00 3.03 2.92 0.00 0.00 6.07 7.26 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 35 A 7.73 4.42 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 36 F 7.64 5.51 0.00 2.94 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 *38 S 8.30 4.01 0.00 3.86 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 39 V 8.21 4.14 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 0.81 0.00 0.00 0.89 0.00 0.00 40 S 7.45 4.68 0.00 3.83 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 41 L 8.68 3.96 0.00 1.63 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.83 4.82 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.51 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 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 44 K 8.33 4.56 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.55 7.81 45 L 9.02 5.47 0.00 1.55 1.55 0.94 0.64 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 46 V 8.93 4.84 2.28 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 1.10 0.00 0.00 1.11 0.00 0.00 47 L 8.28 5.51 0.00 1.71 1.44 0.92 0.75 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 48 V 8.76 4.85 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 0.31 0.00 0.00 0.96 0.00 0.00 49 S 8.77 5.19 0.00 3.92 3.81 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 50 I 8.93 4.66 2.15 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 1.17 0.65 0.97 0.00 0.00 51 G 8.61 3.70 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 0.00 0.00 0.00 52 E 8.82 4.01 0.00 2.07 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 2.36 2.29 0.00 53 K 7.90 4.25 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 A 7.87 4.37 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 55 K 8.64 3.71 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.48 7.81 *57 L 8.08 4.34 0.00 1.82 1.79 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.97 4.28 0.00 2.20 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 0.00 2.49 2.19 0.00 59 K 7.67 3.87 0.00 1.73 1.80 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.47 7.81 60 I 7.45 3.67 1.05 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.23 0.00 0.00 61 Q 8.06 4.13 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.90 2.88 0.00 62 Q 8.07 4.08 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 63 S 8.02 4.19 0.00 4.01 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 64 K 8.39 4.01 0.00 1.95 1.93 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.52 7.81 65 K 7.69 5.11 0.00 1.76 1.66 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.35 7.81 66 Y 8.19 5.03 0.00 3.09 2.94 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 67 A 9.28 5.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.96 4.39 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 1.11 0.00 0.00 69 N 9.13 4.93 0.00 2.62 2.68 0.00 0.00 6.60 7.24 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 70 I 8.32 4.32 1.84 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 1.05 0.47 0.91 0.00 0.00 71 L 8.94 4.92 0.00 1.66 1.56 0.94 0.46 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 72 S 9.05 4.83 0.00 3.98 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 73 Q 8.91 3.92 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.27 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 74 D 7.84 4.77 0.00 2.70 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 75 Q 7.91 4.60 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 76 K 8.29 3.46 0.00 1.46 1.66 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.06 0.29 7.81 77 V 7.60 3.68 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 0.78 0.00 0.00 0.87 0.00 0.00 78 L 7.92 4.07 0.00 1.96 1.88 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.97 4.33 0.00 3.87 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 *81 N 8.27 4.45 0.00 2.71 2.55 0.00 0.00 7.11 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.18 4.63 0.00 3.13 3.10 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 83 A 7.70 4.51 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 84 G 7.87 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 85 Q 8.21 4.46 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 86 L 7.40 4.74 0.00 1.55 1.52 0.84 0.91 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 87 E 8.97 4.03 0.00 1.94 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 2.31 2.24 0.00 88 K 7.63 4.50 0.00 1.65 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.45 0.00 2.03 1.89 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 90 V 8.01 3.89 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 0.57 0.00 0.00 0.78 0.00 0.00 91 D 8.26 4.48 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.87 0.00 0.00 93 Q 8.23 4.25 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.67 5.35 0.00 2.95 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 95 E 9.09 4.97 0.00 2.00 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 0.00 2.21 2.25 0.00 96 E 8.70 5.11 0.00 1.90 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 0.00 2.16 2.25 0.00 97 L 9.08 4.30 0.00 1.72 1.44 0.92 0.92 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 98 G 9.31 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 0.00 0.00 0.00 0.00 99 G 8.52 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 0.00 100 L 7.67 4.72 0.00 1.80 1.52 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.89 0.00 1.67 1.80 0.00 3.63 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 1.79 1.78 0.00 102 V 8.99 4.73 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 0.76 0.00 0.00 1.06 0.00 0.00 103 I 9.45 4.40 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.31 0.85 0.00 0.00 104 K 8.28 4.14 0.00 1.79 1.66 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.94 4.50 0.00 2.86 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 0.00 106 A 7.42 4.34 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 0.00 107 L 8.87 4.17 0.00 1.79 1.92 1.03 0.82 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 0.00 108 A 7.66 5.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 9.42 5.02 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 110 I 8.55 4.94 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.98 0.00 0.00 111 S 8.90 4.94 0.00 3.74 3.70 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 0.00 112 C 8.71 5.18 0.00 1.88 2.44 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 0.00 113 Q 8.60 4.75 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 114 V 8.71 4.27 2.28 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 1.08 0.00 0.00 1.14 0.00 0.00 115 V 8.64 4.43 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 0.71 0.00 0.00 1.02 0.00 0.00 116 N 7.92 5.02 0.00 2.78 2.62 0.00 0.00 6.58 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 0.00 117 E 8.61 4.72 0.00 1.96 1.76 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 0.00 2.02 1.78 0.00 118 V 8.47 4.32 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 0.72 0.00 0.00 0.89 0.00 0.00 119 Q 8.72 4.36 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.30 4.41 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.30 3.83 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 0.00 0.00 0.00 122 D 8.81 4.52 0.00 2.85 2.94 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 0.00 123 H 8.20 5.36 0.00 3.23 3.15 0.00 5.75 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 0.00 124 T 8.97 4.89 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 0.53 0.00 0.00 125 L 8.81 4.81 0.00 1.46 1.56 0.89 0.96 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 0.00 126 F 9.13 5.08 0.00 2.88 3.15 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 0.00 127 I 8.58 4.55 1.94 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 1.21 0.96 0.96 0.00 0.00 128 G 9.64 4.47 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 0.00 129 E 9.10 4.94 0.00 2.03 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 0.00 2.24 2.40 0.00 130 V 8.61 4.32 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 0.83 0.00 0.00 0.98 0.00 0.00 131 T 8.81 4.49 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 1.17 0.00 0.00 132 D 7.75 4.90 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.95 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 134 K 9.27 4.67 0.00 1.75 1.58 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 135 I 8.51 5.05 1.88 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 1.42 0.80 0.92 0.00 0.00 136 T 8.64 4.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 137 E 8.44 4.48 0.00 1.97 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 2.24 2.25 0.00 138 Q 7.88 4.24 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.33 4.84 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.99 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 141 L 8.47 4.20 0.00 1.98 1.65 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.86 5.22 0.00 1.87 1.62 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.17 5.43 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.89 4.70 0.00 3.03 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 0.00 145 S 8.60 3.13 0.00 3.32 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.52 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 0.00 147 K 7.01 4.49 0.00 1.78 1.52 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.23 5.14 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 9.45 5.12 0.00 3.10 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.48 4.94 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 151 L 8.52 4.08 0.00 1.63 1.59 0.92 0.76 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 0.00 152 A 8.49 4.04 1.22 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 0.00 0.00 153 Q 8.59 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.