NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6624 8.3649 119.5546 53.0071 41.7449 174.5308 2 K 4.5373 7.8392 119.5043 55.0391 33.4921 173.1959 3 A 4.3054 7.1151 121.0468 51.7944 22.2114 175.3864 4 T 4.5391 8.2427 108.4781 60.2613 72.9537 173.2506 5 I 3.9943 8.0235 122.8843 59.9901 38.3630 173.4528 6 P 3.7702 0.0000 0.0000 66.8156 31.1905 177.2994 7 S 4.4471 8.1783 117.1116 58.7183 64.6019 174.2988 8 E 4.2847 8.9200 124.7687 58.1773 29.8890 176.8671 9 S 4.8689 7.7307 110.7656 55.5047 65.5945 171.6226 10 P 4.9913 0.0000 0.0000 62.6803 32.4686 175.0432 11 F 5.1722 8.5651 114.4239 54.8529 41.5628 173.9649 12 A 4.4061 9.0386 121.1965 52.9527 18.9741 177.2135 13 A 4.5788 9.3342 121.9630 52.2584 19.7448 176.0099 14 A 4.7613 9.7996 129.0534 52.9717 16.9610 179.4010 15 E 3.9011 8.1688 119.9686 59.7564 27.2239 178.1058 16 V 3.7277 12.0000 118.3524 64.1194 31.5611 175.4034 17 A 3.9937 8.4823 125.8726 46.7549 15.7878 177.2091 18 D 4.6734 8.3900 111.0023 55.0815 40.7944 176.1455 19 G 3.9676 8.7942 108.8680 45.6877 0.0000 173.4208 20 A 3.9572 7.7919 122.1340 52.4543 19.0287 177.6768 21 I 3.9025 8.2572 122.2379 61.4172 37.9516 175.3071 22 V 4.7584 8.2826 126.5307 60.8118 34.9990 174.8844 23 V 4.2861 8.2240 125.5454 61.0915 33.7536 174.4754 24 D 4.9715 8.7426 128.1510 54.1564 42.7315 175.5547 25 I 5.0373 8.9439 122.3782 58.9547 39.4742 174.6212 26 A 4.7883 8.3644 127.3736 50.3150 23.0428 175.1875 27 K 3.5494 9.4154 115.5582 57.9964 29.7435 175.1206 28 M 3.2812 8.6575 111.0563 55.8936 30.1980 177.5911 29 K 4.5066 7.4385 114.4169 55.1527 36.7222 175.2635 30 Y 4.7101 8.3350 120.5725 57.5805 38.4560 176.2791 31 E 4.1480 9.1955 125.3370 58.4284 30.4467 177.0833 32 T 4.6479 8.0518 115.4433 61.0485 69.4900 172.1011 33 P 4.5537 0.0000 0.0000 63.7483 32.9828 175.5120 34 E 4.8563 7.9517 121.0381 54.9111 31.0631 172.4918 35 L 4.4693 8.7606 127.9598 53.9824 43.8930 174.4581 36 H 5.2015 8.8134 123.5828 54.7200 30.1561 174.5724 37 V 4.5962 9.2597 116.4852 59.7146 36.5035 174.3220 38 K 4.8875 8.2412 119.3830 54.4543 35.0142 176.2955 39 V 3.5677 8.3187 121.3155 64.1422 32.0427 177.0336 40 G 4.0630 8.9294 113.9183 45.8914 0.0000 173.8167 41 D 4.5334 8.1353 120.5492 54.7784 42.1712 175.6549 42 T 4.9518 8.4262 119.0867 62.1069 70.0891 174.0407 43 V 4.0766 8.4937 127.5808 61.9680 33.3641 174.6727 44 T 5.0116 8.1603 124.0637 61.5514 71.4103 173.4243 45 W 4.8103 9.5312 126.8662 56.0679 31.1607 175.3988 46 I 4.9523 8.8756 124.5532 59.4431 40.1727 174.1130 47 N 4.9196 9.4352 127.0019 53.4912 39.2675 175.5051 48 R 4.5460 8.9849 125.7374 56.6460 30.9637 176.1667 49 E 4.7114 8.1655 116.0081 53.7099 32.4036 176.6958 50 A 3.9620 8.4402 121.6732 54.8647 18.6315 177.7436 51 M 4.0914 7.9387 115.8441 54.8354 32.4144 174.0047 52 P 4.7188 0.0000 0.0000 62.9364 32.2111 175.3791 53 H 5.1263 8.6828 118.8611 54.6662 33.6441 171.7449 54 N 5.1230 8.3796 115.5520 52.2714 40.9789 172.9242 55 V 4.5858 7.9370 110.1911 59.2026 35.2369 174.8662 56 H 5.1753 8.6829 123.1898 54.8673 33.3388 171.7376 57 F 5.0792 9.5160 125.4039 55.5864 41.5143 176.4819 58 V 4.2554 8.5497 116.9321 61.0118 33.0961 174.8455 59 A 4.2613 8.4803 123.4400 53.2092 18.6231 178.2297 60 G 3.8553 8.7659 109.9221 46.0262 0.0000 174.2210 61 V 4.2422 7.9104 117.7485 64.2562 32.6727 176.6759 62 L 4.2108 9.1813 116.9096 53.7361 42.1992 176.4001 63 G 4.2575 7.7659 106.1441 43.0481 0.0000 174.2243 64 E 3.8557 8.4866 120.3761 59.0122 29.7576 177.2102 65 A 4.4399 7.6883 118.2956 51.2404 19.5685 177.1404 66 A 4.8214 8.4295 121.8516 51.4122 19.7036 177.4641 67 L 4.2023 8.8067 124.9854 54.2986 42.8075 175.7375 68 K 4.5400 8.5043 127.4644 54.3990 31.5556 176.9413 69 G 3.6256 8.5214 112.6077 45.3997 0.0000 168.8249 70 P 4.6921 0.0000 0.0000 61.6227 33.0625 175.6310 71 M 4.3253 8.3683 121.0487 55.8264 32.6951 175.6116 72 M 4.4196 8.8607 123.8943 53.7841 34.1423 176.6846 73 K 4.3357 8.6049 123.9769 55.3102 34.4733 176.0710 74 K 4.3052 8.3291 121.6812 57.8491 31.7413 176.2300 75 E 3.9341 9.3228 125.9739 57.3671 27.4030 174.1412 76 Q 4.6548 7.7086 116.7027 54.9148 31.2480 174.5310 77 A 5.3860 8.2171 121.2637 49.7670 23.2544 174.3572 78 Y 5.0380 8.2626 118.4751 56.2896 42.5970 173.6643 79 S 5.4475 8.1841 117.8916 56.7469 67.1819 172.9236 80 L 4.5394 8.7348 119.1675 53.4319 46.0854 175.6596 81 T 4.7422 8.5705 120.8947 62.2160 70.0554 174.2266 82 F 4.3911 9.1680 126.5424 56.7674 40.5078 176.5040 83 T 4.8208 7.9764 110.5401 60.6381 69.6722 173.0072 84 E 4.6843 7.9636 117.4539 55.6940 32.2935 175.2900 85 A 4.3163 8.9555 129.4729 51.1696 19.2130 177.4243 86 G 3.9881 7.2265 110.3100 44.9687 0.0000 170.8871 87 T 4.7316 7.3466 116.0939 61.6629 70.6973 173.8864 88 Y 4.9928 8.7175 123.9283 56.4630 40.6558 174.6827 89 D 5.3319 9.1081 124.7447 53.8270 42.7338 175.2603 90 Y 4.7665 8.2202 119.6974 56.3466 42.2330 172.8760 91 H 5.4233 8.3186 112.4773 56.1261 32.2844 172.3521 92 C 5.0924 8.2118 119.1729 58.0959 32.6604 174.2751 93 T 3.9285 9.3092 124.2653 66.3174 68.2039 174.5601 94 P 4.3113 0.0000 0.0000 65.0041 32.0811 176.1176 95 H 4.7064 7.3056 116.6287 53.2969 28.3911 172.3321 96 P 4.4167 0.0000 0.0000 63.8537 31.9273 178.5257 97 F 4.2540 7.5277 114.0616 59.4608 38.4909 175.2868 98 M 4.1316 7.4945 122.2284 54.3722 30.5954 174.5611 99 R 4.9822 8.3527 122.2823 54.3027 33.2681 175.4904 100 G 3.7492 7.2095 108.8122 45.0516 0.0000 170.8609 101 K 4.8694 8.1044 119.0408 55.8626 36.0345 174.9793 102 V 4.3564 9.2225 129.6268 61.5194 32.9920 174.8489 103 V 4.1952 8.8509 130.1972 62.0048 32.7965 174.7603 104 V 4.5751 8.5456 129.1942 61.4643 33.1652 175.5125 105 E 4.3622 8.9572 127.3477 56.4874 29.1464 176.1597 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 D 8.36 4.66 0.00 2.41 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 2 K 7.84 4.54 0.00 1.50 1.89 0.00 1.99 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.52 7.81 3 A 7.12 4.31 0.41 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 4 T 8.24 4.54 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 1.12 0.00 0.00 5 I 8.02 3.99 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 1.24 0.58 0.91 0.00 0.00 6 P 0.00 3.77 0.00 1.96 1.85 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 7 S 8.18 4.45 0.00 4.11 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 0.00 8 E 8.92 4.28 0.00 1.97 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 2.33 2.32 0.00 9 S 7.73 4.87 0.00 4.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.99 0.00 1.96 2.16 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 11 F 8.57 5.17 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.04 4.41 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 13 A 9.33 4.58 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 14 A 9.80 4.76 1.15 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 0.00 0.00 15 E 8.17 3.90 0.00 2.38 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 2.46 0.00 16 V 12.00 3.73 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 0.72 0.00 0.00 1.00 0.00 0.00 17 A 8.48 3.99 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 D 8.39 4.67 0.00 2.82 3.03 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 0.00 0.00 0.00 19 G 8.79 3.97 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 0.00 0.00 0.00 20 A 7.79 3.96 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 21 I 8.26 3.90 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.82 0.00 0.00 22 V 8.28 4.76 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 0.78 0.00 0.00 0.94 0.00 0.00 23 V 8.22 4.29 1.48 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 1.22 0.00 0.00 0.55 0.00 0.00 24 D 8.74 4.97 0.00 2.85 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 25 I 8.94 5.04 2.07 0.00 0.00 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 1.60 1.92 0.67 0.00 0.00 26 A 8.36 4.79 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.42 3.55 0.00 1.89 1.88 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 28 M 8.66 3.28 0.00 2.52 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 29 K 7.44 4.51 0.00 2.00 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 30 Y 8.34 4.71 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 4.15 0.00 2.01 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 2.39 2.49 0.00 32 T 8.05 4.65 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 33 P 0.00 4.55 0.00 2.23 2.36 0.00 3.45 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 34 E 7.95 4.86 0.00 1.95 1.88 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 2.18 2.26 0.00 35 L 8.76 4.47 0.00 1.87 1.51 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.81 5.20 0.00 3.04 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.26 4.60 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 0.68 0.00 0.00 0.83 0.00 0.00 38 K 8.24 4.89 0.00 1.66 1.70 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.35 7.81 39 V 8.32 3.57 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 0.81 0.00 0.00 0.98 0.00 0.00 40 G 8.93 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 41 D 8.14 4.53 0.00 2.91 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 42 T 8.43 4.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 43 V 8.49 4.08 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 0.11 0.00 0.00 0.85 0.00 0.00 44 T 8.16 5.01 4.20 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 1.32 0.00 0.00 45 W 9.53 4.81 0.00 3.47 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 46 I 8.88 4.95 1.91 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 1.13 0.77 1.00 0.00 0.00 47 N 9.44 4.92 0.00 2.87 2.93 0.00 0.00 6.75 7.68 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 48 R 8.98 4.55 0.00 1.88 1.98 0.00 3.39 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 49 E 8.17 4.71 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 50 A 8.44 3.96 1.32 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 0.00 0.00 51 M 7.94 4.09 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 52 P 0.00 4.72 0.00 1.93 1.94 0.00 3.70 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 53 H 8.68 5.13 0.00 3.01 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.38 5.12 0.00 2.57 2.81 0.00 0.00 5.74 7.68 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 55 V 7.94 4.59 0.75 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 -0.67 0.00 0.00 0.39 0.00 0.00 56 H 8.68 5.18 0.00 2.99 2.94 0.00 5.56 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 57 F 9.52 5.08 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.26 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 0.84 0.00 0.00 1.00 0.00 0.00 59 A 8.48 4.26 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.77 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 61 V 7.91 4.24 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 1.37 0.00 0.00 1.18 0.00 0.00 62 L 9.18 4.21 0.00 1.56 1.35 -0.08 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.77 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.49 3.86 0.00 1.95 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 2.32 0.00 65 A 7.69 4.44 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 66 A 8.43 4.82 1.32 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 0.00 0.00 67 L 8.81 4.20 0.00 1.76 1.75 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.50 4.54 0.00 1.57 1.60 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.90 1.25 7.81 69 G 8.52 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 1.92 1.93 0.00 2.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.06 0.00 71 M 8.37 4.33 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 72 M 8.86 4.42 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 73 K 8.60 4.34 0.00 1.75 1.78 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.58 7.81 74 K 8.33 4.31 0.00 1.73 1.75 0.00 1.68 0.00 0.00 0.98 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 75 E 9.32 3.93 0.00 2.21 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 0.00 2.22 2.43 0.00 76 Q 7.71 4.65 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 77 A 8.22 5.39 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 78 Y 8.26 5.04 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.18 5.45 0.00 3.91 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 80 L 8.73 4.54 0.00 1.78 1.06 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.57 4.74 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 1.28 0.00 0.00 82 F 9.17 4.39 0.00 3.07 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 83 T 7.98 4.82 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 1.18 0.00 0.00 84 E 7.96 4.68 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 85 A 8.96 4.32 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 86 G 7.23 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 87 T 7.35 4.73 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 1.17 0.00 0.00 88 Y 8.72 4.99 0.00 3.34 3.26 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 0.00 0.00 0.00 0.00 89 D 9.11 5.33 0.00 2.63 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 90 Y 8.22 4.77 0.00 2.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.32 5.42 0.00 3.23 3.27 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.21 5.09 0.00 2.92 2.79 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 0.00 0.00 0.00 0.00 93 T 9.31 3.93 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 94 P 0.00 4.31 0.00 1.79 2.04 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 95 H 7.31 4.71 0.00 2.66 2.04 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.42 0.00 2.14 2.13 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 97 F 7.53 4.25 0.00 3.17 3.26 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 0.00 0.00 0.00 0.00 98 M 7.49 4.13 0.00 1.23 1.66 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.22 0.00 99 R 8.35 4.98 0.00 1.62 1.70 0.00 3.13 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 100 G 7.21 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.10 4.87 0.00 1.88 1.85 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 102 V 9.22 4.36 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 0.13 0.00 0.00 1.22 0.00 0.00 103 V 8.85 4.20 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 0.79 0.00 0.00 0.74 0.00 0.00 104 V 8.55 4.58 2.43 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 1.06 0.00 0.00 1.00 0.00 0.00 105 E 8.96 4.36 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.