NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4013 8.3344 115.4171 56.8709 63.2908 171.3301 3 N 4.2499 7.2960 125.8350 53.4759 43.0317 171.6977 4 T 4.3248 8.8091 117.8579 63.0107 68.0959 174.2207 5 L 4.2642 8.6850 130.0911 58.0156 42.9760 176.6398 6 F 4.8829 8.4640 118.6775 57.5232 43.4996 173.2273 7 D 4.5110 6.7450 121.9503 54.1424 43.4035 173.4183 8 D 4.5606 8.5881 125.8467 53.5713 45.6187 173.1230 9 I 5.2779 7.9401 118.2985 59.6978 40.7911 174.9143 10 F 5.5076 9.1113 124.3372 55.1650 43.4844 173.5655 11 Q 3.6212 8.6305 120.6797 56.5980 25.9203 172.8368 12 V 4.4006 7.3985 118.6995 63.2701 32.7334 176.7518 13 S 4.7219 9.8079 117.8799 57.4921 65.3110 173.3052 14 E 4.5398 7.7843 117.9595 55.8297 32.9074 174.4207 15 V 4.3742 8.7075 127.8595 61.4337 32.2849 173.3791 16 D 4.8423 8.5381 128.4095 52.2246 42.4595 174.7484 17 P 4.7562 0.0000 0.0000 62.0946 32.9200 177.2265 18 G 3.7165 7.2641 108.1965 47.5249 0.0000 175.9453 19 R 4.4949 7.6930 115.6802 55.7117 30.0648 173.3060 20 Y 5.0630 7.9556 114.3816 56.4813 42.1437 175.7362 21 N 4.9843 8.9235 115.7451 53.4451 41.2940 175.7194 22 K 4.5864 8.0962 114.9706 55.8392 34.9171 176.0715 23 V 4.9702 7.8634 119.3173 61.1153 34.0802 174.4398 24 C 5.1048 9.2630 124.3303 57.9808 32.6163 172.9817 25 R 4.8184 8.9585 123.4640 55.3154 31.1080 174.9206 26 I 4.7080 9.1024 128.4482 59.9364 39.2363 174.7181 27 E 4.8182 8.9122 125.7971 54.9246 31.5368 174.9145 28 A 5.4768 8.3105 127.0119 50.8551 22.5926 174.3549 29 A 4.6592 8.6150 115.8119 51.1845 22.9878 176.5826 30 S 3.9387 8.0823 114.9239 58.6175 63.0441 174.2291 31 T 3.9959 8.1526 121.0084 64.1842 68.3983 174.8831 32 T 4.2875 7.9440 115.4031 64.4030 71.9124 173.8026 33 Q 4.2156 7.9425 126.2596 55.5944 29.4996 175.8377 34 D 4.5420 8.6724 123.9075 56.1086 39.4424 177.3709 35 Q 4.3418 8.3272 117.4697 54.2369 30.0707 173.2469 36 C 4.1656 8.2605 119.8287 58.7777 31.1690 172.2711 37 K 4.8825 8.3631 127.2322 54.7589 35.7188 175.2028 38 L 4.7323 8.2146 122.3516 54.8007 44.7862 174.1577 39 T 5.1932 8.1515 123.9906 61.5935 70.8364 173.9462 40 L 4.8885 8.0678 124.7354 54.3059 45.6831 173.0481 41 D 5.2558 8.7849 126.3702 53.4682 42.2343 176.0619 42 I 4.6135 8.9379 123.1561 59.2425 41.8413 174.7141 43 N 5.1526 10.1688 126.0067 53.7074 38.0567 175.5038 44 V 3.9841 8.8350 124.9121 62.8773 31.9961 178.0002 45 E 4.0370 8.3152 122.4494 58.6360 29.7929 177.1922 46 L 4.4882 8.0611 116.3645 56.0127 42.5456 177.0034 47 F 4.8270 8.0258 120.2547 55.3421 39.9834 171.4088 48 P 4.3989 0.0000 0.0000 61.7194 31.8801 177.0162 49 V 4.1027 7.8253 118.7462 61.3132 34.1468 174.7522 50 A 4.0952 9.0852 130.4917 53.0645 18.8105 178.5612 51 A 5.4724 7.4613 128.9432 53.9723 18.6174 176.9785 52 Q 4.6388 7.9785 113.5145 56.5753 30.4681 172.8166 53 D 4.5334 8.0480 113.9652 54.8014 37.1421 174.0677 54 S 4.9721 8.0117 113.1817 58.2383 64.4473 173.9028 55 L 5.1062 10.8200 122.7127 54.1735 44.1319 175.3347 56 T 4.8902 9.0977 113.0408 61.3680 70.3777 173.4451 57 V 4.5026 8.9762 127.0528 61.3309 33.9614 174.4020 58 T 5.5024 8.6684 123.6441 60.9261 71.9419 172.8554 59 I 4.8965 8.6576 125.9321 60.0968 39.6001 174.8043 60 A 4.8083 8.2010 126.3644 53.9766 22.5434 174.7670 61 S 4.4796 7.6989 108.6172 58.9675 66.1136 177.7230 *76 T 4.0864 8.3116 118.6789 63.6341 68.7953 172.8369 77 R 4.3635 9.0493 131.9555 54.9280 29.4867 175.6603 78 S 5.2142 6.8680 112.4153 57.8329 63.8757 177.7072 79 W 4.5376 7.8974 123.8714 56.4654 32.9208 173.2047 80 R 4.1533 7.2078 124.0070 53.1654 32.3070 173.8123 81 P 4.1533 0.0000 0.0000 61.5475 32.0078 174.3143 82 P 4.2377 0.0000 0.0000 64.0296 32.2899 177.9924 83 Q 3.5808 8.3521 117.0151 56.0383 26.2182 171.6075 84 A 3.8052 7.7747 123.2921 53.6956 18.1117 181.6752 85 G 2.9980 7.5515 103.6006 45.6178 0.0000 175.0612 86 D 4.5957 8.0229 121.4448 54.3704 44.4313 175.7038 87 R 4.5483 7.2370 114.7001 56.4174 33.9721 173.8484 88 S 4.8946 8.2939 112.5069 58.3523 64.4424 176.8070 89 L 3.7751 8.8668 127.9089 56.6875 41.7839 176.2939 90 A 4.9304 7.4498 122.2626 51.7341 19.6941 175.2575 91 D 4.4267 7.8301 121.1516 57.9240 41.8153 177.2663 92 D 4.3823 7.6154 121.5990 55.1099 41.8038 176.1443 93 Y 4.7687 9.0085 116.0442 57.0325 41.6961 173.9445 94 D 4.7774 8.9663 119.7830 56.3633 41.8190 175.9244 95 Y 4.3324 7.3570 118.8579 57.5191 40.4580 174.2209 96 V 4.7379 7.5991 124.7384 61.6453 35.0586 173.5634 97 M 4.7551 9.1880 126.2232 53.8848 36.7748 173.2301 98 Y 4.7271 8.0451 119.2905 56.6131 42.3892 173.8760 99 G 3.6644 7.3470 111.1323 46.4468 0.0000 171.5180 100 T 4.8283 7.8402 116.1272 61.4204 70.8499 174.4253 101 A 3.7514 8.2911 128.1816 51.6345 18.4763 176.5688 102 Y 4.5325 8.2130 119.9351 56.7617 40.5556 176.3934 103 K 4.1776 6.7295 121.1380 55.4724 34.0206 173.4447 104 F 4.7076 8.5727 124.9842 56.3215 39.3537 174.9029 105 E 4.6614 8.3004 123.7726 54.3410 32.6633 173.6740 106 E 3.4498 8.6522 115.6828 57.6559 30.1484 180.2953 107 V 3.6746 7.3397 116.4095 62.1035 30.5130 171.3048 108 S 4.3095 7.5986 105.2421 57.1360 60.6859 172.1136 109 K 4.3708 6.5753 121.0297 57.0390 37.8977 176.3871 *114 V 3.9043 7.5150 115.9199 63.2309 33.5605 173.8113 115 Y 4.8929 7.9879 124.4379 56.2586 41.2460 174.2527 116 Y 4.9955 8.9789 120.1766 56.2048 42.1958 174.1897 117 S 4.8041 9.2175 118.4035 56.3463 64.9226 173.6064 118 F 4.8506 8.8295 126.6397 56.3770 37.9735 175.8211 119 G 4.1989 9.1715 109.0087 46.4933 0.0000 172.2052 120 G 3.8830 7.9403 107.1078 44.4102 0.0000 173.9077 121 L 4.4372 7.7699 120.6433 53.9679 42.8650 176.3007 122 L 5.1762 8.7704 123.9425 54.1526 44.2639 175.2958 123 M 5.4863 8.8996 120.0524 54.3906 36.1313 173.7769 124 R 4.7634 8.7610 120.2398 54.4633 33.6173 174.1217 125 L 4.9732 7.8958 120.1189 50.8294 43.1531 177.4132 126 E 4.1833 8.2906 132.0446 55.6310 27.4785 177.4018 *138 E 4.0086 7.8925 116.5156 57.0390 30.8101 173.5107 139 N 3.6266 8.1438 120.0028 52.3217 38.6285 172.7690 140 A 4.3923 8.3498 124.8841 51.1554 23.2935 174.5837 141 Y 4.8096 8.3181 111.8536 57.5482 40.1647 175.1290 142 L 5.0085 8.9044 123.4558 53.4745 45.2584 175.1100 143 L 5.0271 8.7959 126.4580 52.9450 45.1253 175.8087 144 I 5.3812 8.6877 122.3651 60.0440 41.9064 174.3637 145 R 5.0585 8.9778 119.8216 56.3438 33.2174 175.1794 146 R 4.0768 8.8103 119.4890 57.0803 31.1834 175.7381 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 S 8.33 4.40 0.00 4.02 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 3 N 7.30 4.25 0.00 2.93 2.70 0.00 0.00 7.08 6.33 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 4 T 8.81 4.32 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 1.27 0.00 0.00 5 L 8.68 4.26 0.00 1.88 1.95 1.07 0.80 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 6 F 8.46 4.88 0.00 3.21 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 7 D 6.74 4.51 0.00 2.53 2.34 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 8 D 8.59 4.56 0.00 2.52 2.56 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 9 I 7.94 5.28 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.95 0.00 0.00 10 F 9.11 5.51 0.00 2.93 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 11 Q 8.63 3.62 0.00 2.35 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 12 V 7.40 4.40 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 0.91 0.00 0.00 1.01 0.00 0.00 13 S 9.81 4.72 0.00 3.87 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 14 E 7.78 4.54 0.00 2.07 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 0.00 2.20 2.28 0.00 15 V 8.71 4.37 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 0.83 0.00 0.00 1.03 0.00 0.00 16 D 8.54 4.84 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.29 2.29 0.00 3.91 0.00 0.00 3.95 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 18 G 7.26 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 19 R 7.69 4.49 0.00 1.45 1.64 0.00 3.08 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 20 Y 7.96 5.06 0.00 3.19 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 21 N 8.92 4.98 0.00 2.72 2.85 0.00 0.00 6.72 7.61 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 22 K 8.10 4.59 0.00 1.68 1.82 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 23 V 7.86 4.97 1.67 0.00 0.00 0.00 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 0.77 0.00 0.00 24 C 9.26 5.10 0.00 2.82 2.76 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 0.00 0.00 0.00 25 R 8.96 4.82 0.00 1.94 1.86 0.00 3.12 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 26 I 9.10 4.71 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.89 0.00 0.00 27 E 8.91 4.82 0.00 1.90 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 2.24 2.39 0.00 28 A 8.31 5.48 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 29 A 8.62 4.66 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 30 S 8.08 3.94 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.15 4.00 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 1.17 0.00 0.00 32 T 7.94 4.29 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 1.17 0.00 0.00 33 Q 7.94 4.22 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 34 D 8.67 4.54 0.00 2.78 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 35 Q 8.33 4.34 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 36 C 8.26 4.17 0.00 3.10 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 37 K 8.36 4.88 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.44 7.81 38 L 8.21 4.73 0.00 1.52 1.24 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 5.19 4.18 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 1.21 0.00 0.00 40 L 8.07 4.89 0.00 1.63 1.35 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.78 5.26 0.00 2.66 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 42 I 8.94 4.61 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.57 0.37 0.00 0.00 43 N 10.17 5.15 0.00 2.83 3.01 0.00 0.00 6.96 7.59 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 44 V 8.83 3.98 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 0.67 0.00 0.00 0.89 0.00 0.00 45 E 8.32 4.04 0.00 1.97 2.29 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 2.33 2.29 0.00 46 L 8.06 4.49 0.00 1.92 1.88 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.03 4.83 0.00 3.02 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 48 P 0.00 4.40 0.00 2.06 1.96 0.00 3.19 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 49 V 7.83 4.10 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 0.83 0.00 0.00 0.97 0.00 0.00 50 A 9.09 4.10 1.41 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 51 A 7.46 5.47 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 52 Q 7.98 4.64 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.43 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 53 D 8.05 4.53 0.00 2.86 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 54 S 8.01 4.97 0.00 3.93 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 55 L 10.82 5.11 0.00 1.98 1.89 0.94 0.75 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 56 T 9.10 4.89 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 1.26 0.00 0.00 57 V 8.98 4.50 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 0.88 0.00 0.00 0.81 0.00 0.00 58 T 8.67 5.50 4.03 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 1.37 0.00 0.00 59 I 8.66 4.90 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.69 0.82 0.00 0.00 60 A 8.20 4.81 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 61 S 7.70 4.48 0.00 3.96 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 8.31 4.09 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 1.30 0.00 0.00 77 R 9.05 4.36 0.00 1.91 2.19 0.00 3.59 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 78 S 6.87 5.21 0.00 4.02 3.32 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 79 W 7.90 4.54 0.00 3.28 2.89 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 80 R 7.21 4.15 0.00 1.35 1.43 0.00 3.12 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 81 P 0.00 4.15 0.00 1.95 2.01 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 82 P 0.00 4.24 0.00 2.16 2.02 0.00 3.85 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 2.02 2.04 0.00 83 Q 8.35 3.58 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.37 2.15 0.00 84 A 7.77 3.81 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 85 G 7.55 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 0.00 0.00 0.00 86 D 8.02 4.60 0.00 2.59 2.56 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 87 R 7.24 4.55 0.00 1.75 1.79 0.00 3.33 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 1.51 1.59 0.00 88 S 8.29 4.89 0.00 4.02 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 89 L 8.87 3.78 0.00 1.49 1.56 0.64 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.45 4.93 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 91 D 7.83 4.43 0.00 2.71 2.63 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 92 D 7.62 4.38 0.00 2.25 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 93 Y 9.01 4.77 0.00 2.70 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 94 D 8.97 4.78 0.00 2.70 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 95 Y 7.36 4.33 0.00 2.07 2.37 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 96 V 7.60 4.74 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 0.87 0.00 0.00 0.90 0.00 0.00 97 M 9.19 4.76 0.00 1.31 1.05 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 98 Y 8.05 4.73 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 3.66 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 0.00 0.00 0.00 100 T 7.84 4.83 4.10 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 1.13 0.00 0.00 101 A 8.29 3.75 0.30 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 0.00 102 Y 8.21 4.53 0.00 2.75 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 0.00 103 K 6.73 4.18 0.00 1.33 0.74 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.73 1.10 7.81 104 F 8.57 4.71 0.00 2.90 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 0.00 105 E 8.30 4.66 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 2.27 2.44 0.00 106 E 8.65 3.45 0.00 1.92 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 2.31 2.41 0.00 107 V 7.34 3.67 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 0.79 0.00 0.00 1.01 0.00 0.00 108 S 7.60 4.31 0.00 3.97 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 0.00 109 K 6.58 4.37 0.00 1.74 1.61 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *114 V 7.51 3.90 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 0.69 0.00 0.00 1.01 0.00 0.00 115 Y 7.99 4.89 0.00 2.04 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 0.00 116 Y 8.98 5.00 0.00 2.64 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 0.00 0.00 0.00 0.00 117 S 9.22 4.80 0.00 3.31 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 0.00 118 F 8.83 4.85 0.00 3.17 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 0.00 119 G 9.17 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 0.00 0.00 0.00 0.00 120 G 7.94 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 0.00 0.00 0.00 121 L 7.77 4.44 0.00 1.85 1.69 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.77 5.18 0.00 1.69 1.74 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.90 5.49 0.00 2.37 1.91 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 124 R 8.76 4.76 0.00 1.05 0.81 0.00 2.65 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.37 0.00 125 L 7.90 4.97 0.00 1.41 1.54 0.38 0.86 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 0.00 126 E 8.29 4.18 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 2.33 0.00 *138 E 7.89 4.01 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 2.20 2.40 0.00 139 N 8.14 3.63 0.00 2.79 3.05 0.00 0.00 6.99 7.96 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 0.00 140 A 8.35 4.39 1.42 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 0.00 141 Y 8.32 4.81 0.00 3.03 2.89 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 0.00 142 L 8.90 5.01 0.00 1.50 0.98 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.80 5.03 0.00 0.27 0.46 0.72 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.69 5.38 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.59 0.00 0.00 145 R 8.98 5.06 0.00 1.89 2.13 0.00 3.09 0.00 0.00 3.08 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 146 R 8.81 4.08 0.00 2.11 2.33 0.00 3.21 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.