NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2423 8.3331 118.8300 56.0910 29.0593 174.0514 3 G 4.5611 8.8776 111.1793 42.0043 0.0000 170.4870 4 L 4.7824 8.6574 126.7874 54.3088 44.0350 173.7255 5 V 4.6904 8.1233 118.1790 60.9805 34.5709 174.4702 6 V 4.5424 9.0026 127.6356 61.3246 34.0836 174.3874 7 T 5.0580 8.0625 116.3999 59.0847 72.4430 173.0975 8 Q 3.6450 8.6879 116.3702 57.0522 25.3312 174.1009 9 L 4.4116 7.6069 117.0474 54.3207 43.6184 175.8485 10 D 4.8947 7.8897 117.4948 53.2552 40.2032 176.0580 11 V 4.1177 8.2684 120.9913 63.0565 33.0446 176.2058 12 Q 5.0235 9.1879 127.6906 53.4992 31.1563 173.7825 13 P 3.7639 0.0000 0.0000 63.4465 31.5081 176.2167 14 G 3.9965 8.5591 109.7344 45.6096 0.0000 173.8056 15 E 4.3567 7.6528 118.7366 55.9924 30.5231 175.1868 16 C 4.9649 8.9912 123.0857 57.7486 34.1354 172.3972 17 V 4.8165 8.9081 126.2864 61.0796 33.7851 174.0696 18 K 4.9961 8.7811 127.5896 54.5712 34.9026 175.1664 19 V 4.6109 8.9523 125.8754 61.0563 33.7022 174.0022 20 K 5.0024 8.5993 129.9982 55.0039 34.8969 175.5769 21 G 3.4363 8.8720 112.5337 45.9152 0.0000 171.1759 22 K 4.8771 7.3220 120.5938 54.3770 35.5146 176.1671 23 I 4.2168 8.4188 128.3733 60.3288 38.6570 175.6226 24 L 4.3098 8.3234 126.8677 55.0966 42.2002 178.9453 25 S 4.2420 8.8131 117.7655 60.6802 63.0129 174.7732 26 D 4.8512 7.6559 118.9907 52.4682 39.6193 176.0882 27 A 4.1577 7.4712 122.0574 53.3047 18.9413 178.5254 28 K 4.6086 9.7697 119.4114 55.1964 34.6330 176.7850 29 G 4.5610 7.8595 109.5173 45.8727 0.0000 170.5535 30 F 5.3269 7.4373 113.4060 56.3058 41.6543 172.9329 31 S 4.5062 9.3085 113.2077 56.9023 66.9281 173.3820 32 V 4.6662 8.8163 121.2884 61.5310 34.0022 173.7084 33 N 5.6690 9.2545 126.8315 51.6040 41.1333 174.7099 34 V 4.9053 8.9725 122.5485 59.0587 34.7400 174.4030 35 G 4.1508 8.7235 114.4801 46.7278 0.0000 175.0422 36 K 4.0133 9.1974 123.5314 58.0539 32.8129 175.7008 37 D 3.6456 6.9791 115.5250 52.3736 41.4732 175.7975 38 S 3.7621 7.9544 113.1770 60.9181 62.9186 175.1158 39 S 4.2412 8.2473 113.9119 58.4300 63.5914 173.3502 40 T 4.9060 7.6421 117.8767 61.8761 71.0899 172.0612 41 L 4.9427 8.5407 126.4329 52.9907 44.0508 177.5274 42 M 4.2569 8.8714 123.3708 58.1172 33.1848 176.2526 43 L 4.6106 7.7015 119.2024 54.1025 46.2829 173.6331 44 H 5.2161 9.1992 126.2690 54.3481 31.9227 171.5289 45 F 4.3604 8.9759 129.0632 57.0887 40.4046 173.7004 46 N 4.7220 8.0666 126.1269 49.4539 40.3175 169.9949 47 P 4.1942 0.0000 0.0000 61.6975 32.7835 175.0368 48 R 4.7537 8.7138 124.4410 54.6208 32.1910 176.8555 49 F 3.8275 9.3101 124.0639 60.1821 40.1689 175.5823 50 D 5.1258 7.8275 115.8220 53.4983 42.3846 172.0786 51 C 4.5903 8.8638 122.5028 58.4642 34.7781 173.6817 52 H 4.1100 9.7170 123.6639 57.0027 25.6745 176.0792 53 G 3.9701 8.4889 107.5101 45.5068 0.0000 174.2211 54 D 4.5215 7.8670 120.5788 53.3808 41.7429 175.6654 55 V 4.4707 7.7361 121.9675 61.9212 33.9621 175.2969 56 N 3.1400 8.3013 127.0302 53.9488 36.3414 174.5596 57 T 4.6096 7.3425 113.5284 61.7789 74.0256 175.0933 58 V 4.1043 8.5171 125.4833 61.8656 33.1099 174.3959 59 V 4.5903 8.1427 128.4653 61.3360 33.5337 174.1261 60 C 5.2169 8.4826 125.2281 57.4369 31.5063 172.3664 61 N 4.9810 7.5589 118.7434 53.3024 42.3288 172.4068 62 S 5.4728 8.7121 115.1762 56.4472 67.3686 172.6003 63 K 4.9709 8.8864 120.3051 54.8853 35.8790 174.2783 64 E 4.6470 8.8711 127.7375 54.5260 32.5661 175.3118 65 D 4.1126 9.1673 128.8646 55.6140 38.8558 174.9787 66 G 3.6925 8.5990 104.7330 45.7234 0.0000 173.6501 67 T 4.3924 7.2691 116.9118 60.7833 70.6005 173.7866 68 W 4.8262 8.5655 126.5958 57.3023 29.8118 177.1132 69 G 4.3324 8.9945 112.0465 45.8364 0.0000 172.1435 70 E 4.5559 8.7946 119.9871 55.3359 30.7533 176.7528 71 E 4.1435 8.9211 124.0202 56.7355 30.6373 175.9993 72 D 4.8469 9.2712 123.6762 52.6203 43.7335 174.6199 73 R 4.7873 8.5269 125.7147 55.2881 31.0059 176.9179 74 K 4.5007 8.6387 123.6254 55.5918 32.9800 177.3006 75 A 4.1754 8.8306 125.0155 54.5351 18.7945 177.9302 76 D 4.9909 8.0437 114.0118 52.9805 42.6333 176.5083 77 F 4.6497 8.3537 123.8778 56.1805 39.8259 171.7293 78 P 4.5985 0.0000 0.0000 62.0930 31.5316 176.2608 79 F 5.0891 6.6861 116.7058 56.3857 41.1992 174.9442 80 Q 5.1335 8.5210 120.4185 54.1949 32.7789 174.7293 81 Q 3.8503 8.5230 120.0368 57.2988 29.1557 177.1877 82 G 4.4192 8.6885 110.2181 44.7821 0.0000 173.1342 83 D 4.5804 7.8052 120.8080 54.1631 42.1306 175.4982 84 K 4.8045 8.6287 122.7334 55.4057 33.2663 176.1618 85 V 4.7392 9.0528 117.9891 59.6173 36.9121 174.0480 86 E 5.1054 8.7817 121.4536 54.7908 32.3488 174.3944 87 I 4.6374 9.2795 128.5362 59.9328 39.7147 174.2308 88 C 5.1999 9.0667 125.7600 58.0987 30.4481 173.0125 89 I 5.2262 9.0675 124.5106 59.6220 40.3661 174.7879 90 S 5.3495 9.0476 119.8757 57.5484 67.1932 172.4037 91 F 5.4083 8.3343 114.5101 56.7024 40.9272 172.0201 92 D 4.7089 9.2405 117.6677 51.6046 42.3295 175.9078 93 A 4.1318 8.9726 120.9760 54.4844 18.5062 178.4704 94 A 4.5509 7.9537 117.1741 54.1146 20.5165 177.1622 95 E 5.1421 9.0210 111.9710 55.7133 33.8906 174.4023 96 V 5.0490 9.3949 120.0626 61.0838 34.6606 174.2060 97 K 5.1908 9.3597 126.6726 54.5981 35.5532 175.2659 98 V 4.6557 8.8125 124.2217 61.2093 34.0871 174.0316 99 K 4.7961 9.2751 128.9260 54.9076 33.7996 176.0029 100 V 4.7822 8.3332 125.2470 60.1221 33.3463 173.6924 101 P 4.3070 0.0000 0.0000 65.7936 31.3093 176.9212 102 E 3.9181 8.0349 118.8277 58.0661 30.3372 175.7803 *104 V 4.2200 7.2757 116.5967 62.6307 33.2326 173.5614 105 E 4.9644 8.2682 125.2089 54.4388 31.5929 174.9998 106 F 5.0234 9.2593 125.8721 56.1344 41.7522 174.6736 107 E 5.4270 8.8945 119.8547 54.8278 33.2444 175.0802 108 F 5.1322 9.1131 124.7890 55.8447 43.2112 172.0107 109 P 4.6030 0.0000 0.0000 62.8444 32.1062 176.5629 110 N 4.6936 8.8201 122.0979 52.3366 37.3703 174.6917 111 R 4.0279 8.1938 121.9488 58.7042 30.5379 178.1534 112 L 4.1688 7.9699 114.8446 54.8043 42.0499 176.9081 113 G 3.9063 7.8469 106.7698 46.5191 0.0000 173.6597 114 M 4.1742 8.4257 119.1310 55.3443 32.8025 175.4580 115 E 4.9283 8.6100 123.8757 55.7145 30.4907 175.2579 116 K 5.0353 7.5997 115.2786 56.1485 34.9813 174.2532 117 I 4.4090 8.5960 122.4726 60.1564 38.6589 176.0553 118 Q 4.9225 9.1632 124.5074 54.9380 31.3160 174.6400 119 Y 5.0639 7.8901 120.1048 55.7003 42.7739 173.5841 120 L 5.0843 8.2572 126.7026 53.5261 46.0846 174.5697 121 A 4.9579 8.9230 126.7909 50.3581 23.1716 174.7275 122 V 4.8373 8.5442 121.5471 61.2593 34.3308 174.4323 123 E 4.9009 9.3497 125.8556 55.6518 34.4065 176.0179 124 G 3.7440 8.8346 106.6032 44.8087 0.0000 173.1214 125 D 4.8384 8.4747 115.5539 53.3443 39.0156 176.3945 126 F 4.9448 7.7078 119.3669 56.4635 43.2351 174.3483 127 K 4.3670 8.1484 126.0696 54.6182 33.6846 175.8300 128 V 3.9264 8.3393 125.9860 62.8247 31.6666 175.5191 129 K 4.4784 8.8853 126.8598 57.7990 33.9854 176.3588 130 A 4.5802 7.4527 118.2583 51.0461 22.6678 175.4880 131 I 4.7569 8.1893 119.5996 59.5692 40.3388 175.1189 132 K 4.4200 8.6595 126.3703 54.3154 35.7887 175.5681 133 F 5.1800 8.5747 120.4673 56.0775 41.8161 175.3663 134 S 4.4735 9.2640 120.1454 58.5252 63.3289 174.4224 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 Q 8.33 4.24 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.55 0.00 3 G 8.88 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 4.78 0.00 1.78 1.83 0.94 0.48 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 5 V 8.12 4.69 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 0.70 0.00 0.00 0.95 0.00 0.00 6 V 9.00 4.54 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 1.02 0.00 0.00 0.98 0.00 0.00 7 T 8.06 5.06 4.31 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 1.36 0.00 0.00 8 Q 8.69 3.64 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 L 7.61 4.41 0.00 1.82 1.59 0.99 0.60 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 10 D 7.89 4.89 0.00 2.59 2.50 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 11 V 8.27 4.12 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 1.22 0.00 0.00 1.04 0.00 0.00 12 Q 9.19 5.02 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 13 P 0.00 3.76 0.00 1.86 1.41 0.00 3.28 0.00 0.00 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 14 G 8.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.36 0.00 2.18 1.97 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 2.36 2.24 0.00 16 C 8.99 4.96 0.00 2.96 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 17 V 8.91 4.82 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 0.95 0.00 0.00 1.16 0.00 0.00 18 K 8.78 5.00 0.00 1.63 1.77 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.31 7.81 19 V 8.95 4.61 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 1.03 0.00 0.00 0.90 0.00 0.00 20 K 8.60 5.00 0.00 1.85 1.61 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 21 G 8.87 3.44 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 0.00 22 K 7.32 4.88 0.00 1.60 1.35 0.00 1.53 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.26 7.81 23 I 8.42 4.22 1.91 0.00 0.00 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 1.17 0.85 1.02 0.00 0.00 24 L 8.32 4.31 0.00 1.56 1.71 0.86 0.44 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 25 S 8.81 4.24 0.00 3.81 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 26 D 7.66 4.85 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.16 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 28 K 9.77 4.61 0.00 1.87 2.03 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.36 7.81 29 G 7.86 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.44 5.33 0.00 3.28 3.19 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 0.00 0.00 0.00 0.00 31 S 9.31 4.51 0.00 3.72 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 32 V 8.82 4.67 2.14 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 1.03 0.00 0.00 0.93 0.00 0.00 33 N 9.25 5.67 0.00 2.84 2.92 0.00 0.00 6.13 7.80 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 34 V 8.97 4.91 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 0.76 0.00 0.00 1.02 0.00 0.00 35 G 8.72 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 0.00 0.00 0.00 0.00 36 K 9.20 4.01 0.00 1.66 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 37 D 6.98 3.65 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.76 0.00 3.89 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 39 S 8.25 4.24 0.00 3.96 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 40 T 7.64 4.91 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 1.16 0.00 0.00 41 L 8.54 4.94 0.00 1.64 1.63 1.03 0.76 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 42 M 8.87 4.26 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 43 L 7.70 4.61 0.00 1.84 1.46 0.62 0.86 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 44 H 9.20 5.22 0.00 3.52 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.98 4.36 0.00 2.96 2.88 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 46 N 8.07 4.72 0.00 2.13 2.31 0.00 0.00 7.07 8.23 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 47 P 0.00 4.19 0.00 0.82 0.92 0.00 2.20 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 0.49 0.58 0.00 48 R 8.71 4.75 0.00 1.54 1.71 0.00 3.03 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 49 F 9.31 3.83 0.00 3.17 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 50 D 7.83 5.13 0.00 2.62 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 51 C 8.86 4.59 0.00 3.11 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.72 4.11 0.00 3.29 3.29 0.00 5.79 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 53 G 8.49 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 54 D 7.87 4.52 0.00 2.88 2.45 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 55 V 7.74 4.47 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 0.84 0.00 0.00 0.94 0.00 0.00 56 N 8.30 3.14 0.00 2.51 2.07 0.00 0.00 6.83 7.80 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 57 T 7.34 4.61 4.07 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 1.14 0.00 0.00 58 V 8.52 4.10 1.86 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 0.93 0.00 0.00 59 V 8.14 4.59 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 0.75 0.00 0.00 60 C 8.48 5.22 0.00 2.74 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 0.00 0.00 0.00 61 N 7.56 4.98 0.00 2.49 2.45 0.00 0.00 6.60 7.63 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 62 S 8.71 5.47 0.00 4.15 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 63 K 8.89 4.97 0.00 1.49 1.47 0.00 1.22 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.46 7.81 64 E 8.87 4.65 0.00 2.02 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 2.16 2.22 0.00 65 D 9.17 4.11 0.00 2.74 2.65 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 66 G 8.60 3.69 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 0.00 0.00 0.00 67 T 7.27 4.39 4.32 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 1.23 0.00 0.00 68 W 8.57 4.83 0.00 3.19 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 69 G 8.99 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 0.00 0.00 0.00 0.00 70 E 8.79 4.56 0.00 2.02 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 2.30 2.39 0.00 71 E 8.92 4.14 0.00 1.81 1.83 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 2.10 2.20 0.00 72 D 9.27 4.85 0.00 2.98 2.84 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 73 R 8.53 4.79 0.00 1.72 1.82 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 74 K 8.64 4.50 0.00 1.83 2.05 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.27 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.56 1.54 7.81 75 A 8.83 4.18 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 76 D 8.04 4.99 0.00 2.70 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 77 F 8.35 4.65 0.00 2.98 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 78 P 0.00 4.60 0.00 1.82 1.95 0.00 3.21 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 0.49 1.63 0.00 79 F 6.69 5.09 0.00 2.62 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 80 Q 8.52 5.13 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.10 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 81 Q 8.52 3.85 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 82 G 8.69 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.58 0.00 3.13 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 84 K 8.63 4.80 0.00 1.63 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 85 V 9.05 4.74 2.31 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 1.04 0.00 0.00 1.27 0.00 0.00 86 E 8.78 5.11 0.00 1.96 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 2.20 2.33 0.00 87 I 9.28 4.64 1.85 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 0.65 0.71 0.00 0.00 88 C 9.07 5.20 0.00 2.84 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 89 I 9.07 5.23 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.96 0.00 0.00 90 S 9.05 5.35 0.00 3.87 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 91 F 8.33 5.41 0.00 3.27 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 92 D 9.24 4.71 0.00 2.83 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 93 A 8.97 4.13 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 0.00 0.00 94 A 7.95 4.55 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 95 E 9.02 5.14 0.00 2.21 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 2.24 2.32 0.00 96 V 9.39 5.05 2.31 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 1.11 0.00 0.00 1.11 0.00 0.00 97 K 9.36 5.19 0.00 1.72 1.70 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 98 V 8.81 4.66 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 0.13 0.00 0.00 0.70 0.00 0.00 99 K 9.28 4.80 0.00 1.69 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 100 V 8.33 4.78 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 0.75 0.00 0.00 1.30 0.00 0.00 101 P 0.00 4.31 0.00 2.21 2.21 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 102 E 8.03 3.92 0.00 1.94 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 2.24 2.22 0.00 *104 V 7.28 4.22 1.51 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 0.75 0.00 0.00 0.75 0.00 0.00 105 E 8.27 4.96 0.00 1.89 1.68 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 2.16 2.28 0.00 106 F 9.26 5.02 0.00 3.07 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 0.00 107 E 8.89 5.43 0.00 1.89 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 0.00 2.31 2.33 0.00 108 F 9.11 5.13 0.00 3.14 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 0.00 109 P 0.00 4.60 0.00 1.92 1.89 0.00 2.81 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.64 0.00 110 N 8.82 4.69 0.00 2.84 3.03 0.00 0.00 7.18 7.28 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 0.00 111 R 8.19 4.03 0.00 1.87 1.98 0.00 3.34 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 112 L 7.97 4.17 0.00 1.65 1.72 1.02 0.93 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 0.00 113 G 7.85 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 0.00 114 M 8.43 4.17 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 115 E 8.61 4.93 0.00 2.10 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 2.48 2.27 0.00 116 K 7.60 5.04 0.00 2.05 1.85 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.44 7.81 117 I 8.60 4.41 1.93 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 0.95 0.22 0.97 0.00 0.00 118 Q 9.16 4.92 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.13 0.00 119 Y 7.89 5.06 0.00 3.13 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 0.00 120 L 8.26 5.08 0.00 1.77 1.37 0.94 0.77 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 0.00 121 A 8.92 4.96 1.08 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 0.00 0.00 0.00 0.00 0.00 122 V 8.54 4.84 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 1.10 0.00 0.00 0.96 0.00 0.00 123 E 9.35 4.90 0.00 1.98 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 2.33 0.00 124 G 8.83 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 0.00 0.00 0.00 125 D 8.47 4.84 0.00 2.77 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 0.00 126 F 7.71 4.94 0.00 2.46 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 0.00 127 K 8.15 4.37 0.00 1.44 1.54 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.28 1.22 7.81 128 V 8.34 3.93 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 0.89 0.00 0.00 1.12 0.00 0.00 129 K 8.89 4.48 0.00 1.66 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.41 7.81 130 A 7.45 4.58 1.16 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 0.00 131 I 8.19 4.76 1.76 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 1.30 0.68 0.57 0.00 0.00 132 K 8.66 4.42 0.00 1.53 1.57 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.27 7.81 133 F 8.57 5.18 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 0.00 134 S 9.26 4.47 0.00 3.72 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 * Residues marked with a * may have inaccurate shift predictions.