NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3686 8.1733 122.1421 54.0317 33.1380 176.4355 4 L 4.0323 8.6035 124.7993 55.3713 41.7752 177.8934 5 T 4.0655 8.7589 108.5348 63.7198 69.8447 174.7205 6 R 4.5408 7.6390 119.9830 55.7037 30.3961 176.3035 7 L 4.2268 7.3931 117.6045 54.4242 42.1720 177.9223 8 G 3.8644 8.8907 108.9411 44.4538 0.0000 174.7815 9 D 4.3484 8.4791 119.8770 57.0003 40.7233 178.9652 10 L 3.9399 7.7522 120.4595 57.9399 42.0590 178.2348 11 E 3.8371 8.1427 117.0187 59.6250 29.4508 179.0804 12 R 3.9097 8.0393 117.1991 59.2846 30.3655 177.8241 13 A 4.1684 8.0124 120.6430 55.2163 18.2688 180.4027 14 V 3.5887 7.6139 113.1514 63.9478 30.2597 177.3586 *16 D 4.7858 8.0558 118.9286 54.2701 43.0765 177.5076 17 H 4.2350 7.8781 118.2453 59.2245 29.8205 177.2606 18 L 3.8928 7.7180 120.7831 57.7472 41.2479 179.6875 19 W 4.5601 7.2307 114.5704 59.3269 29.0265 177.9727 20 S 4.4706 7.8729 112.4253 58.5079 63.2073 174.2055 21 R 4.6847 7.1649 121.2972 54.5444 32.8507 175.8286 22 T 4.0437 8.7143 119.4066 66.4855 68.8035 175.0061 23 E 4.4230 7.8272 118.9495 54.5500 30.6733 174.4436 24 P 4.5890 0.0000 0.0000 63.3610 32.2560 175.5663 25 Q 5.0967 9.1757 122.0453 54.2152 31.9292 175.6958 26 T 4.7659 9.1991 113.5307 60.7444 70.2453 175.7434 27 V 3.5184 8.7589 121.3857 66.2444 31.4126 177.9357 28 R 4.1687 8.2182 117.7937 59.7511 29.9871 178.2966 29 Q 4.0331 8.2475 117.7390 58.8876 28.6787 178.9780 30 V 3.4012 7.8776 119.1789 66.2023 31.3719 177.5125 31 H 4.1026 8.2659 116.8771 59.3231 30.1159 176.6539 32 E 4.0424 8.8008 120.4165 59.3927 29.2699 179.1944 33 A 3.9573 7.9070 120.6482 55.2131 18.4535 179.5358 34 L 4.0082 8.0719 116.8930 56.9060 41.4976 179.3054 35 S 4.8958 7.8228 114.1423 59.8409 63.1280 175.7998 36 A 4.1188 7.3662 124.0222 54.6383 18.2637 178.2382 37 R 4.4922 7.8189 112.2754 56.1690 32.1246 175.9938 38 R 4.5670 7.9587 116.3892 54.4947 34.1987 173.8551 39 D 4.6295 8.5250 119.8062 52.7371 40.9969 175.3098 40 L 4.8256 8.0080 124.9826 52.2110 45.1660 176.7659 41 A 4.2591 8.2350 123.6640 51.9708 18.9745 178.0119 42 Y 3.7472 8.8428 122.3923 61.1833 38.5528 179.1399 43 T 3.8909 8.0246 108.5230 65.0958 68.9097 175.9849 44 T 4.0100 7.7440 118.6237 66.2901 68.3429 177.2925 45 V 3.7390 7.1089 115.8226 63.4731 31.2267 177.3405 *47 A 4.1588 7.9453 121.8428 51.6845 20.5428 180.0665 48 V 3.5095 7.8218 115.0621 65.9373 31.3964 178.1418 49 L 3.6385 7.8413 118.9275 57.7475 41.3500 179.4593 50 Q 4.0135 7.8340 117.2574 59.2284 28.8523 179.1311 51 R 3.9491 8.0759 118.9443 59.1969 30.0125 179.1539 52 L 3.9767 8.3696 119.0972 57.6266 41.5255 179.4065 53 A 4.4007 8.0706 122.2975 54.7063 18.1243 179.8963 54 K 3.9954 7.9627 116.0111 59.2504 32.2021 178.9985 55 K 4.2075 7.7947 115.6413 56.1883 32.0499 176.6215 56 N 4.2917 7.9543 115.6785 54.4538 36.6744 174.9421 57 L 4.6479 8.0639 119.0844 55.5345 43.4909 176.8628 58 V 5.0338 7.6801 110.7272 59.3727 36.8923 173.9434 59 L 4.7849 8.8769 124.0166 53.2864 45.0082 175.0796 60 Q 4.0687 8.6817 127.5459 55.5518 29.9843 174.6085 61 I 4.4503 8.7445 127.7347 59.4641 40.0118 174.8194 62 R 4.4508 8.3908 125.1119 54.0292 32.2661 175.3022 *66 A 4.0699 8.4045 124.4592 52.3308 19.3468 175.0455 67 H 5.0791 8.6911 120.1186 54.3602 31.0519 174.2786 68 R 4.9481 8.8713 121.4565 54.6349 35.2127 173.6673 69 Y 5.1470 9.0113 117.0485 56.2434 41.7355 174.7331 70 A 5.1734 8.6099 124.7406 49.1167 22.4630 173.5239 71 P 4.6649 0.0000 0.0000 62.9235 31.5034 176.8905 72 V 3.8188 8.7804 124.7822 65.1415 32.1779 175.9752 73 H 5.0532 8.2617 116.3101 53.6373 31.6417 173.7920 74 G 3.9456 8.4663 112.4046 44.5744 0.0000 174.4808 75 R 2.5100 7.3801 118.7070 58.3007 29.5805 178.1142 76 D 4.2532 7.7598 118.7366 56.5227 39.2416 178.2937 77 E 3.9261 8.1453 119.8341 58.6115 29.3014 179.0211 78 L 3.8693 7.4653 120.2978 58.0672 42.0268 178.8678 79 V 3.4852 7.2638 116.4008 66.0594 31.5296 177.3541 80 A 4.1865 8.0747 119.5528 55.1787 18.3627 179.5721 81 G 3.7154 7.9957 104.1713 47.6823 0.0000 176.8809 82 L 4.2610 8.0699 119.9679 54.8368 41.6892 179.3919 *84 V 3.9491 7.7806 120.5736 63.1232 33.2452 177.2307 85 D 4.3257 8.3307 118.3923 57.1078 40.8595 178.2102 86 A 4.0973 7.8948 121.3020 55.2855 18.4421 179.4283 87 L 3.8593 7.8965 117.9233 58.1968 41.8827 178.5647 88 A 4.1599 7.6173 118.9205 54.2138 18.3767 179.0933 89 Q 4.0336 7.8646 115.8436 57.1869 29.1036 176.8090 90 A 4.0624 7.1686 122.6623 52.5797 18.7435 177.5381 91 E 4.1489 8.7571 121.6221 58.2134 30.1750 176.3629 92 D 4.5021 7.3895 117.6789 51.4883 42.8931 176.3331 93 S 4.2348 8.4743 114.4497 61.3413 62.7978 176.6164 94 G 3.5728 8.0849 108.8193 47.8183 0.0000 175.4140 95 S 4.1094 8.8248 116.8271 60.6865 62.3109 175.9421 96 R 3.8620 8.3340 121.8618 59.8664 29.8387 178.5796 97 Q 4.0161 8.3968 117.5735 58.7955 28.7206 178.4797 98 A 3.9747 8.2525 121.7571 54.8967 18.3451 179.5755 99 A 4.0493 8.3112 119.6358 55.3115 18.4442 179.7791 100 L 4.0509 7.7892 117.2078 57.8562 41.6293 179.9136 101 V 3.5833 7.6575 117.5727 66.4790 31.5563 177.6515 102 H 4.4826 8.1366 117.1746 58.1839 28.5442 177.3257 103 F 4.2083 8.7437 122.7306 61.5829 39.0238 177.3116 104 V 3.4037 7.8021 116.1856 66.1259 31.2295 177.5784 105 E 4.0658 8.3815 118.2248 59.0715 29.0003 179.2370 106 R 4.0605 7.6119 117.2505 57.4319 30.6536 177.6615 107 V 3.6137 6.7168 110.9528 60.6145 32.2094 176.5054 108 G 3.8149 8.3865 108.1453 44.1554 0.0000 174.9687 109 A 3.9575 8.3182 121.7633 55.2186 18.4113 179.6780 110 D 4.3372 8.0685 116.8994 57.5176 40.8560 178.8331 111 E 3.9651 8.0577 118.4060 59.1435 29.6518 178.6747 112 A 3.9831 8.1423 121.0361 55.4684 18.3796 179.4842 113 D 4.3414 8.2810 117.0138 57.2265 40.8210 178.8231 114 A 4.0137 7.9659 121.4630 55.0324 18.3435 179.7128 115 L 3.9486 8.4713 117.7951 57.9947 41.7369 179.7643 116 R 3.9343 8.3505 118.3900 59.4897 30.0291 179.2942 117 R 3.9100 8.1507 117.3805 59.2224 30.0904 178.9763 118 A 4.0099 8.2837 120.7624 55.2739 18.3357 179.7311 119 L 4.0316 8.2381 117.1249 57.4064 41.5973 179.6271 120 A 3.9734 8.0724 121.2097 55.0569 18.1080 179.4365 121 E 3.8792 7.9229 115.9630 59.4592 29.6535 178.8506 122 L 4.0905 7.6891 118.8525 58.3397 42.1665 178.4192 123 E 4.0935 8.0828 116.8666 59.4587 29.5665 177.5495 124 A 4.2906 8.1238 123.9232 52.4150 18.5949 176.9608 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 K 8.17 4.37 0.00 1.70 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 4 L 8.60 4.03 0.00 1.87 1.96 1.13 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.76 4.07 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 1.28 0.00 0.00 6 R 7.64 4.54 0.00 1.83 1.97 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 7 L 7.39 4.23 0.00 1.69 1.59 0.91 0.89 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 8 G 8.89 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 9 D 8.48 4.35 0.00 2.69 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 10 L 7.75 3.94 0.00 1.72 1.60 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.14 3.84 0.00 2.13 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 2.26 2.34 0.00 12 R 8.04 3.91 0.00 1.77 2.09 0.00 3.41 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 13 A 8.01 4.17 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 14 V 7.61 3.59 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 0.84 0.00 0.00 0.83 0.00 0.00 *16 D 8.06 4.79 0.00 2.98 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 17 H 7.88 4.23 0.00 3.17 3.41 0.00 5.79 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 18 L 7.72 3.89 0.00 1.45 1.60 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.23 4.56 0.00 3.54 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 20 S 7.87 4.47 0.00 4.09 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 21 R 7.16 4.68 0.00 1.71 1.82 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 22 T 8.71 4.04 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 1.23 0.00 0.00 23 E 7.83 4.42 0.00 1.97 1.89 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 2.30 2.34 0.00 24 P 0.00 4.59 0.00 1.93 2.06 0.00 3.64 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 2.03 2.14 0.00 25 Q 9.18 5.10 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 26 T 9.20 4.77 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 1.30 0.00 0.00 27 V 8.76 3.52 2.12 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 0.41 0.00 0.00 0.99 0.00 0.00 28 R 8.22 4.17 0.00 2.10 2.03 0.00 3.25 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 29 Q 8.25 4.03 0.00 2.46 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 30 V 7.88 3.40 2.12 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 0.89 0.00 0.00 0.95 0.00 0.00 31 H 8.27 4.10 0.00 3.18 3.56 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.80 4.04 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 33 A 7.91 3.96 1.12 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 0.00 0.00 34 L 8.07 4.01 0.00 1.64 1.68 0.86 0.64 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 35 S 7.82 4.90 0.00 3.98 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 36 A 7.37 4.12 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 37 R 7.82 4.49 0.00 1.77 1.95 0.00 3.17 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 38 R 7.96 4.57 0.00 1.80 1.73 0.00 3.06 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 39 D 8.52 4.63 0.00 2.59 2.59 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 0.00 40 L 8.01 4.83 0.00 1.68 1.54 0.90 0.85 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 41 A 8.23 4.26 1.28 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 42 Y 8.84 3.75 0.00 2.91 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 43 T 8.02 3.89 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 1.29 0.00 0.00 44 T 7.74 4.01 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 1.17 0.00 0.00 45 V 7.11 3.74 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 0.92 0.00 0.00 0.97 0.00 0.00 *47 A 7.95 4.16 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 48 V 7.82 3.51 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 0.93 0.00 0.00 0.91 0.00 0.00 49 L 7.84 3.64 0.00 1.15 0.37 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.83 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 51 R 8.08 3.95 0.00 1.90 1.95 0.00 3.27 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 52 L 8.37 3.98 0.00 1.69 1.65 0.76 0.54 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 53 A 8.07 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.96 4.00 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.63 7.81 55 K 7.79 4.21 0.00 1.93 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.61 7.81 56 N 7.95 4.29 0.00 2.90 2.94 0.00 0.00 6.87 7.37 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 57 L 8.06 4.65 0.00 1.70 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.68 5.03 2.22 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 0.69 0.00 0.00 1.06 0.00 0.00 59 L 8.88 4.78 0.00 1.71 1.46 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.68 4.07 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.46 0.00 0.00 0.00 0.00 0.00 1.82 1.31 0.00 61 I 8.74 4.45 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 1.17 0.57 0.86 0.00 0.00 62 R 8.39 4.45 0.00 1.70 1.76 0.00 3.17 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.44 0.00 *66 A 8.40 4.07 1.28 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 67 H 8.69 5.08 0.00 3.08 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.87 4.95 0.00 1.65 1.77 0.00 3.06 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 69 Y 9.01 5.15 0.00 2.89 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 70 A 8.61 5.17 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 71 P 0.00 4.66 0.00 2.46 1.97 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 72 V 8.78 3.82 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.93 0.00 0.00 73 H 8.26 5.05 0.00 3.33 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.47 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 75 R 7.38 2.51 0.00 0.67 1.38 0.00 3.04 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.00 76 D 7.76 4.25 0.00 2.83 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 77 E 8.15 3.93 0.00 2.21 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 2.31 0.00 78 L 7.47 3.87 0.00 1.58 1.51 1.01 0.86 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 79 V 7.26 3.49 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 0.85 0.00 0.00 80 A 8.07 4.19 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 81 G 8.00 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 0.00 0.00 0.00 82 L 8.07 4.26 0.00 1.83 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *84 V 7.78 3.95 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 0.97 0.00 0.00 0.94 0.00 0.00 85 D 8.33 4.33 0.00 2.81 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 86 A 7.89 4.10 1.28 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 87 L 7.90 3.86 0.00 1.65 1.79 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.62 4.16 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 89 Q 7.86 4.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 90 A 7.17 4.06 1.29 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 0.00 0.00 0.00 91 E 8.76 4.15 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 92 D 7.39 4.50 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.47 4.23 0.00 4.06 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 94 G 8.08 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.82 4.11 0.00 3.87 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 96 R 8.33 3.86 0.00 2.14 2.02 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 97 Q 8.40 4.02 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 98 A 8.25 3.97 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 99 A 8.31 4.05 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 0.00 100 L 7.79 4.05 0.00 1.87 1.79 0.91 1.16 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 0.00 101 V 7.66 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 102 H 8.14 4.48 0.00 3.46 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.74 4.21 0.00 3.16 3.35 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 0.00 104 V 7.80 3.40 2.23 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 0.86 0.00 0.00 1.04 0.00 0.00 105 E 8.38 4.07 0.00 2.26 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 2.33 2.49 0.00 106 R 7.61 4.06 0.00 1.98 1.91 0.00 3.21 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 107 V 6.72 3.61 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 -0.25 0.00 0.00 0.75 0.00 0.00 108 G 8.39 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 0.00 0.00 0.00 109 A 8.32 3.96 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 0.00 110 D 8.07 4.34 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 0.00 111 E 8.06 3.97 0.00 2.07 1.93 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 2.38 2.34 0.00 112 A 8.14 3.98 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 0.00 113 D 8.28 4.34 0.00 2.92 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 0.00 114 A 7.97 4.01 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 0.00 115 L 8.47 3.95 0.00 1.85 1.75 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.35 3.93 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 117 R 8.15 3.91 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 118 A 8.28 4.01 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 0.00 119 L 8.24 4.03 0.00 1.85 1.74 0.98 0.62 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 0.00 120 A 8.07 3.97 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 0.00 121 E 7.92 3.88 0.00 2.15 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 2.35 2.53 0.00 122 L 7.69 4.09 0.00 1.75 1.91 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.08 4.09 0.00 2.16 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 2.35 2.49 0.00 124 A 8.12 4.29 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 * Residues marked with a * may have inaccurate shift predictions.