NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8202 8.1827 115.7931 56.4343 39.9077 176.9870 13 V 3.4429 8.0668 122.5377 66.8598 31.4160 175.0888 14 A 4.0218 8.7753 121.3404 55.2819 18.5318 178.8066 15 E 3.9812 8.1986 115.5190 59.5966 29.8121 179.1408 16 L 4.1902 8.2173 119.0632 57.5721 41.5645 178.8330 17 N 4.4122 8.3997 117.0626 56.5558 38.6144 175.8127 18 N 4.7640 7.8631 114.7330 53.9377 38.8034 175.2667 19 L 4.7088 7.9006 120.7951 54.1357 42.4250 176.0838 20 L 4.2594 7.3610 119.7380 56.4428 41.7662 178.0300 21 G 3.9814 8.9556 111.7660 45.3397 0.0000 173.5562 22 R 4.5557 7.7907 118.8654 54.7807 32.5720 175.1060 23 E 4.7865 7.9536 119.4258 56.1608 30.4937 176.0643 24 V 4.7634 9.0734 119.1811 59.7154 37.0809 173.8204 25 Q 5.0944 9.0048 122.7716 54.3736 31.8876 174.1385 26 V 4.7836 9.0566 126.6153 61.1774 34.2032 174.1412 27 V 4.4258 8.4898 128.7462 61.8396 33.0044 174.8591 28 L 5.4502 8.7502 127.8030 52.9694 44.4135 177.6554 29 S 4.4243 9.2548 115.7035 59.9285 63.2712 174.5761 30 N 4.6586 8.2460 118.0691 52.9472 37.3076 175.9931 31 G 3.9979 8.1766 108.2147 45.4403 0.0000 174.0354 32 E 4.3074 8.5718 119.7165 56.1372 31.5147 176.2626 33 V 4.7092 7.9715 120.7513 61.7033 34.8034 173.4408 34 Y 4.9007 9.0167 126.3668 56.2122 40.3127 174.7575 35 K 4.9851 8.7698 125.2451 54.9177 35.4180 175.4622 36 G 4.3766 8.3214 112.4902 46.1183 0.0000 171.5661 37 V 4.4396 7.8255 120.3729 61.9629 32.9541 175.5632 38 L 4.3133 9.0608 130.8185 56.0990 42.1008 176.3233 39 H 4.5939 9.1345 127.6701 58.0202 31.0658 174.9144 40 A 4.6277 7.5401 116.5270 51.1010 22.3233 175.4615 41 V 4.9665 8.3551 119.0396 61.3841 35.1196 173.9718 42 D 5.0924 8.4273 125.5675 51.0400 42.0813 176.5300 43 N 4.2223 8.6584 115.5119 56.3315 38.4174 176.2104 44 Q 3.9673 8.0341 114.3377 55.3117 28.9706 175.4670 45 L 3.7512 7.9137 117.0454 55.8051 39.5501 174.5293 46 N 4.9107 8.8280 115.8382 53.5303 40.1596 174.4946 47 I 5.0472 8.5954 121.3214 59.6853 41.8015 174.3119 48 V 4.6599 8.7788 126.3966 61.1008 33.7831 174.2483 49 L 5.2071 8.5405 127.3607 53.0414 44.6730 175.1027 50 A 4.8424 9.0198 123.9622 50.6962 21.2825 176.5174 51 N 4.0617 8.5475 118.6979 54.2651 36.9869 173.3908 52 A 4.9789 7.8083 119.2213 51.1565 22.2467 177.5796 53 S 5.7960 9.3960 112.9656 55.8918 66.7036 172.7754 54 N 5.2065 8.1821 121.2338 49.8230 39.8449 175.4750 55 K 3.7230 8.5113 117.3026 59.5612 32.0324 178.2837 56 A 4.0328 7.8600 118.9828 52.9510 18.3733 178.0493 57 G 3.9040 8.2859 104.7088 44.8859 0.0000 173.6420 58 E 4.2557 8.1121 120.1145 55.7068 30.5907 176.0404 59 K 4.9762 7.8915 121.7207 55.1742 36.3014 175.3709 60 F 4.8477 8.8295 118.8967 55.8444 43.2269 175.3971 61 N 4.6699 9.0294 120.6183 55.9052 40.0754 174.8254 62 R 4.9951 7.8977 115.6916 54.2963 34.5268 174.8643 63 V 4.0837 8.4337 122.8089 61.0159 34.5119 174.1367 64 F 4.7988 8.8711 126.9652 56.3798 39.6922 175.1443 65 I 4.3379 8.6385 132.3437 60.8171 39.5657 177.0917 *67 Y 4.7703 8.5107 120.0281 58.1722 39.7546 177.7073 68 R 3.7857 7.1939 117.8294 58.3287 30.3447 176.6330 69 Y 4.3506 7.8720 113.7304 57.5595 38.4810 174.4997 70 I 4.4570 7.5070 122.0078 60.8030 37.2439 176.0902 71 V 4.0243 8.9660 128.9765 65.6885 32.0119 175.6063 72 H 4.9322 7.7352 113.0835 54.8517 31.5207 172.1931 73 I 5.1159 8.3072 119.4744 59.6914 40.2069 174.7273 74 D 5.1309 9.2519 125.8671 52.1084 44.5677 175.9550 75 S 4.5092 8.7560 116.6799 58.6223 63.7603 174.0458 76 T 4.4803 8.3316 110.3917 61.5199 70.4061 174.0544 77 E 4.4541 7.9010 121.4695 55.0327 30.8806 175.8560 78 R 4.2463 8.1985 122.1282 55.5960 31.1042 176.4652 79 R 4.1981 8.1818 121.4130 55.6722 30.8329 176.8449 80 I 3.6880 7.9013 121.2589 61.3493 37.7588 175.9950 81 D 4.4760 8.2767 123.8099 53.8800 42.5362 176.7375 *83 R 3.5773 8.3812 118.0363 55.9508 31.9050 178.0021 84 E 3.9412 8.2100 117.6006 59.1313 29.5848 178.3700 85 F 3.5211 8.5167 120.8964 61.0864 38.9456 177.0497 86 A 4.0238 7.9680 119.6115 55.2877 18.2194 179.5446 87 K 3.8930 7.9660 115.1935 59.0747 32.5181 178.4242 88 Q 4.4251 7.7487 117.0918 56.8169 29.7207 177.0508 89 A 4.3642 7.8043 120.7498 53.4610 18.1391 179.0667 90 E 3.9632 7.6831 118.0227 59.0523 30.0596 178.6467 91 K 4.0996 8.0131 116.4470 59.3258 32.6873 178.0391 92 I 3.9726 7.1605 119.0185 61.8690 38.8782 175.9763 93 F 4.8663 7.9418 116.9278 54.1061 39.1996 172.0965 94 P 4.2591 0.0000 0.0000 64.1586 32.5078 177.0508 95 G 3.7653 9.1668 112.4822 46.4018 0.0000 173.3146 *97 V 4.1395 7.2851 115.6859 62.8360 33.3189 175.3826 98 K 4.6549 8.9318 126.6617 54.7609 35.2119 174.3692 99 Y 4.8577 8.7201 126.5128 56.6317 40.6973 174.0453 100 I 3.8731 8.2558 128.6905 59.3895 37.8631 175.9882 101 E 3.5058 8.4884 128.7204 58.9583 29.7282 177.5913 102 E 3.9888 8.1483 118.0583 58.9573 29.4392 177.3015 103 T 4.4198 7.3127 103.7769 60.1672 69.8172 172.6643 104 N 4.1502 7.6879 118.4212 54.5408 37.9633 173.5461 105 V 4.6276 7.2455 114.8805 60.8147 35.4927 173.9877 106 V 4.9097 8.7908 125.6770 61.1671 34.1485 174.1063 107 L 5.1148 9.0200 128.0519 53.1791 44.3606 175.4960 108 I 4.3492 8.3501 123.5439 60.1409 40.0109 175.6980 109 G 3.8926 8.8566 116.8832 46.5908 0.0000 173.6324 110 D 4.9353 8.7260 124.5775 53.9136 42.0971 176.1218 111 K 4.5669 8.0572 115.1065 55.5021 34.3836 175.8500 112 V 4.6495 7.5957 118.7623 60.9243 34.5186 174.1656 113 R 4.9504 9.1320 127.7875 54.5022 33.4400 173.7122 114 V 4.8453 9.1109 126.5336 61.0947 34.4150 174.5199 115 S 5.1528 8.7047 121.8755 55.9275 66.3846 174.4961 116 E 4.2347 8.9295 116.2583 57.9018 29.2878 177.2954 117 I 4.2091 9.0588 119.7111 60.8090 38.2900 175.7305 118 G 3.4171 6.3858 108.2869 44.2427 0.0000 171.1635 119 V 4.5183 7.2842 119.2340 60.9390 33.1229 174.6922 120 E 4.5416 9.9210 126.6168 54.5186 31.5440 174.9262 121 G 4.4823 7.8654 107.8912 43.4029 0.0000 172.4935 122 V 4.3364 7.8558 118.9395 61.2871 35.0521 174.6180 123 G 3.9432 8.5725 108.7385 43.7965 0.0000 172.4904 124 P 4.3182 0.0000 0.0000 65.8970 31.1084 178.7174 125 V 3.8119 7.8776 117.4319 65.5256 31.5445 177.7313 126 A 4.0114 7.9774 120.1519 55.3049 18.4655 179.1200 127 E 3.9831 8.2128 117.1209 59.8087 29.6734 179.7677 128 R 4.0217 8.4592 118.4465 59.1192 30.0994 178.4949 129 A 4.3146 8.2880 120.7874 55.3621 18.4430 179.5815 130 K 4.0470 8.7366 117.3661 60.0265 32.0989 179.7593 131 R 4.0835 8.2175 117.9667 58.8304 29.9603 178.8775 132 L 4.0910 8.1087 120.2518 58.0170 42.1501 178.5020 133 F 4.2737 9.1655 121.1714 61.8103 39.2556 177.0588 134 E 4.2444 8.8583 118.0605 59.3550 28.9599 179.0287 135 E 3.9588 8.1373 118.9677 59.2101 29.7595 178.5361 136 F 4.0906 8.2418 117.0184 60.3567 39.0202 177.3725 137 L 4.2903 7.7949 117.4269 56.6514 41.6447 177.9396 138 K 3.7063 7.9181 118.3528 58.0074 32.3569 177.2640 139 R 4.0100 8.7216 121.8699 56.7221 30.2268 176.0461 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 12 F 8.18 4.82 0.00 3.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.44 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 1.01 0.00 0.00 0.91 0.00 0.00 14 A 8.78 4.02 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 15 E 8.20 3.98 0.00 2.02 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 2.37 2.50 0.00 16 L 8.22 4.19 0.00 1.80 1.76 1.07 0.29 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 17 N 8.40 4.41 0.00 2.99 2.96 0.00 0.00 7.19 6.27 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 18 N 7.86 4.76 0.00 2.92 2.85 0.00 0.00 6.85 8.94 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 19 L 7.90 4.71 0.00 1.79 1.63 0.91 0.46 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 20 L 7.36 4.26 0.00 1.62 1.62 0.97 0.86 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 21 G 8.96 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 0.00 0.00 0.00 22 R 7.79 4.56 0.00 1.87 1.87 0.00 3.31 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 23 E 7.95 4.79 0.00 2.01 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 2.32 2.49 0.00 24 V 9.07 4.76 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 0.69 0.00 0.00 0.96 0.00 0.00 25 Q 9.00 5.09 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.06 4.78 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 0.95 0.00 0.00 0.98 0.00 0.00 27 V 8.49 4.43 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 0.98 0.00 0.00 0.83 0.00 0.00 28 L 8.75 5.45 0.00 1.89 1.72 1.02 0.68 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 29 S 9.25 4.42 0.00 4.02 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 30 N 8.25 4.66 0.00 2.87 2.97 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.18 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 32 E 8.57 4.31 0.00 2.20 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 0.00 2.36 2.42 0.00 33 V 7.97 4.71 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 1.00 0.00 0.00 0.93 0.00 0.00 34 Y 9.02 4.90 0.00 3.02 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 35 K 8.77 4.99 0.00 1.77 1.62 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 36 G 8.32 4.38 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 0.00 37 V 7.83 4.44 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 0.81 0.00 0.00 0.95 0.00 0.00 38 L 9.06 4.31 0.00 1.77 1.73 1.01 0.72 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 39 H 9.13 4.59 0.00 3.10 3.33 0.00 6.04 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 40 A 7.54 4.63 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 41 V 8.36 4.97 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 0.97 0.00 0.00 0.97 0.00 0.00 42 D 8.43 5.09 0.00 2.85 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 43 N 8.66 4.22 0.00 2.69 2.87 0.00 0.00 6.84 7.69 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 44 Q 8.03 3.97 0.00 2.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 45 L 7.91 3.75 0.00 1.72 1.87 0.96 0.84 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 46 N 8.83 4.91 0.00 3.07 2.85 0.00 0.00 6.80 7.23 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 I 8.60 5.05 1.92 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 1.38 1.01 0.94 0.00 0.00 48 V 8.78 4.66 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 0.62 0.00 0.00 1.02 0.00 0.00 49 L 8.54 5.21 0.00 1.59 1.54 1.01 0.47 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 50 A 9.02 4.84 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 51 N 8.55 4.06 0.00 2.84 2.83 0.00 0.00 6.62 7.18 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 52 A 7.81 4.98 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 53 S 9.40 5.80 0.00 3.82 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 54 N 8.18 5.21 0.00 2.36 1.51 0.00 0.00 6.73 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 55 K 8.51 3.72 0.00 1.69 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 56 A 7.86 4.03 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 57 G 8.29 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 58 E 8.11 4.26 0.00 2.13 1.71 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 2.31 2.26 0.00 59 K 7.89 4.98 0.00 1.67 1.60 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.29 7.81 60 F 8.83 4.85 0.00 3.07 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 61 N 9.03 4.67 0.00 2.80 2.86 0.00 0.00 7.43 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 62 R 7.90 5.00 0.00 1.60 1.14 0.00 2.99 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.00 63 V 8.43 4.08 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 0.43 0.00 0.00 0.80 0.00 0.00 64 F 8.87 4.80 0.00 2.86 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 65 I 8.64 4.34 1.98 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 1.09 0.92 0.95 0.00 0.00 *67 Y 8.51 4.77 0.00 3.32 3.56 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 68 R 7.19 3.79 0.00 1.36 1.43 0.00 2.95 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.00 69 Y 7.87 4.35 0.00 3.07 2.98 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 70 I 7.51 4.46 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 1.05 0.00 0.00 71 V 8.97 4.02 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 0.87 0.00 0.00 1.01 0.00 0.00 72 H 7.74 4.93 0.00 3.17 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.31 5.12 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.95 0.00 0.00 74 D 9.25 5.13 0.00 2.51 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 75 S 8.76 4.51 0.00 3.97 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 76 T 8.33 4.48 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 1.27 0.00 0.00 77 E 7.90 4.45 0.00 2.00 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 2.29 2.30 0.00 78 R 8.20 4.25 0.00 1.78 1.82 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 79 R 8.18 4.20 0.00 1.84 1.84 0.00 3.62 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 80 I 7.90 3.69 1.46 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.25 0.27 0.00 0.00 81 D 8.28 4.48 0.00 2.69 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 *83 R 8.38 3.58 0.00 1.86 1.72 0.00 3.02 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 84 E 8.21 3.94 0.00 2.17 2.24 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 2.46 2.65 0.00 85 F 8.52 3.52 0.00 2.50 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 86 A 7.97 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.89 0.00 1.90 1.92 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.47 7.81 88 Q 7.75 4.43 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 89 A 7.80 4.36 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 90 E 7.68 3.96 0.00 2.11 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 0.00 2.34 2.38 0.00 91 K 8.01 4.10 0.00 1.92 1.92 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.49 7.81 92 I 7.16 3.97 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 -0.15 0.00 0.00 93 F 7.94 4.87 0.00 2.95 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 94 P 0.00 4.26 0.00 2.06 2.07 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 95 G 9.17 3.77 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 0.00 0.00 0.00 *97 V 7.29 4.14 2.13 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 0.87 0.00 0.00 1.01 0.00 0.00 98 K 8.93 4.65 0.00 1.70 1.66 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 99 Y 8.72 4.86 0.00 3.11 2.90 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 0.00 100 I 8.26 3.87 1.74 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 1.00 0.99 0.78 0.00 0.00 101 E 8.49 3.51 0.00 1.91 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 2.31 2.43 0.00 102 E 8.15 3.99 0.00 1.90 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 0.00 2.26 2.30 0.00 103 T 7.31 4.42 4.19 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 1.17 0.00 0.00 104 N 7.69 4.15 0.00 2.92 2.93 0.00 0.00 6.89 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 0.00 105 V 7.25 4.63 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 0.93 0.00 0.00 0.92 0.00 0.00 106 V 8.79 4.91 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 1.01 0.00 0.00 1.25 0.00 0.00 107 L 9.02 5.11 0.00 1.58 1.51 0.89 0.43 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 0.00 108 I 8.35 4.35 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.21 0.09 0.00 0.00 109 G 8.86 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 0.00 110 D 8.73 4.94 0.00 2.60 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 0.00 111 K 8.06 4.57 0.00 1.65 1.76 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.44 7.81 112 V 7.60 4.65 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 0.98 0.00 0.00 0.94 0.00 0.00 113 R 9.13 4.95 0.00 1.83 1.67 0.00 3.06 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 114 V 9.11 4.85 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 0.77 0.00 0.00 1.05 0.00 0.00 115 S 8.70 5.15 0.00 3.86 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 0.00 116 E 8.93 4.23 0.00 2.10 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 2.28 2.35 0.00 117 I 9.06 4.21 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 1.22 0.49 0.85 0.00 0.00 118 G 6.39 3.42 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 0.00 119 V 7.28 4.52 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 0.86 0.00 0.00 0.88 0.00 0.00 120 E 9.92 4.54 0.00 2.08 1.77 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 2.17 2.16 0.00 121 G 7.87 4.48 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 0.00 122 V 7.86 4.34 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 0.86 0.00 0.00 0.93 0.00 0.00 123 G 8.57 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 0.00 0.00 0.00 124 P 0.00 4.32 0.00 2.33 2.36 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 125 V 7.88 3.81 2.13 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 0.97 0.00 0.00 1.09 0.00 0.00 126 A 7.98 4.01 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 0.00 127 E 8.21 3.98 0.00 2.21 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 2.55 2.50 0.00 128 R 8.46 4.02 0.00 2.09 2.38 0.00 3.18 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.74 0.00 129 A 8.29 4.31 1.57 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 0.00 130 K 8.74 4.05 0.00 1.99 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.69 7.81 131 R 8.22 4.08 0.00 2.11 2.05 0.00 3.28 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 132 L 8.11 4.09 0.00 2.12 2.06 0.46 0.89 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 0.00 133 F 9.17 4.27 0.00 3.43 3.31 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 0.00 134 E 8.86 4.24 0.00 2.33 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 2.46 2.58 0.00 135 E 8.14 3.96 0.00 2.17 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 2.27 2.30 0.00 136 F 8.24 4.09 0.00 3.10 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 0.00 137 L 7.79 4.29 0.00 1.90 1.82 1.22 1.04 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 0.00 138 K 7.92 3.71 0.00 1.74 1.81 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.73 7.81 139 R 8.72 4.01 0.00 1.85 1.85 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.