NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3734 8.2549 120.8763 56.2217 31.2608 174.5446 12 Q 4.3095 8.3341 123.4432 53.0680 31.6864 174.1235 13 S 3.9296 7.5993 116.4895 58.4198 64.1863 173.6352 14 K 4.3520 8.5129 123.5057 55.7149 34.7079 175.6004 15 G 3.8941 8.8504 110.0669 44.5381 0.0000 172.7234 16 V 4.3362 8.4391 111.6301 59.7977 33.6438 175.9491 17 L 3.5856 8.4195 125.8408 55.4453 41.9743 175.8302 18 L 4.4715 8.8651 126.3382 55.9684 43.2071 177.0205 19 L 4.7476 7.4390 117.1143 52.7587 46.2222 175.4630 20 R 4.8838 8.5704 122.1969 54.9747 32.5636 174.4240 21 T 4.7949 8.9524 123.1494 61.6062 72.6474 173.4803 22 L 4.6862 8.6902 125.8029 54.3327 42.9269 176.4950 23 A 3.8124 9.0773 126.4936 52.1757 19.2374 176.4659 24 M 4.6862 8.7013 122.5353 52.8752 35.1932 175.5965 25 P 4.1143 0.0000 0.0000 65.9365 31.5757 178.7058 26 S 4.3450 7.8597 109.9766 59.9541 63.1360 174.4270 27 D 4.2779 7.7721 120.9225 55.5712 40.7459 176.7859 28 T 4.4685 7.4136 110.0054 60.5804 69.9562 174.1092 29 N 4.4184 8.8991 120.0665 51.7774 38.6513 175.6534 30 A 3.9462 8.2294 119.9483 54.8024 18.4061 177.9033 31 N 4.4332 8.2235 112.8559 53.8305 39.2234 175.8066 32 G 3.9273 8.2865 105.4497 45.8926 0.0000 172.7871 33 D 4.7917 7.9442 119.4355 52.2310 42.2853 176.0112 34 I 3.9476 8.3661 125.0600 61.3785 37.3363 175.5017 35 F 4.9917 8.2623 119.8074 54.3989 40.7473 176.7047 36 G 2.9867 8.6610 107.7989 47.5897 0.0000 175.8023 37 G 3.9598 8.4055 107.8044 47.6489 0.0000 175.2173 38 W 3.9010 6.3192 130.1973 59.9838 30.5528 178.1826 39 I 3.3334 7.4754 119.2378 64.5420 36.6584 178.0173 40 M 4.2127 8.3184 119.8164 58.5474 31.7168 178.8605 41 S 4.0414 8.1005 113.1587 61.3659 62.5460 176.0600 42 Q 3.6657 7.4592 120.6638 59.1473 28.3773 178.9031 43 M 3.8498 7.9001 119.4611 58.3082 32.0443 178.3285 44 D 3.5903 7.9070 117.9827 57.3583 41.2261 177.9009 45 M 4.0251 7.8656 117.5365 58.5189 32.4905 178.1927 46 G 3.6466 8.3596 106.3783 47.6815 0.0000 175.8107 47 G 3.6058 8.3430 108.7362 47.5420 0.0000 175.5192 48 A 2.9127 7.5808 122.4134 53.8274 18.2222 179.8803 49 I 3.4750 7.4181 119.0030 64.3761 37.2462 178.2430 50 L 3.9988 7.6359 120.3527 58.0088 41.9713 178.3713 51 A 3.8626 7.5553 120.7264 55.1883 18.2117 179.5730 52 K 3.9335 8.0094 118.0090 59.4902 32.0227 178.5551 53 E 3.9334 7.8454 117.8961 59.9361 29.5550 179.3987 54 I 3.9175 7.5147 117.5307 63.8459 37.3003 177.7453 55 A 4.1792 8.0428 120.0391 52.1104 19.1205 176.6347 56 H 3.9819 8.4510 113.5745 54.8926 26.8773 174.8728 57 G 3.8443 7.9220 105.5375 45.2504 0.0000 171.6889 58 R 3.9630 8.0524 119.1121 57.5351 30.6583 176.8092 59 V 5.1764 8.3370 117.4693 59.8402 35.9490 174.8965 60 V 4.7269 8.8726 115.2229 59.9497 36.3037 174.7011 61 T 4.7116 8.6283 119.2635 63.0292 68.5571 175.2249 62 V 4.1955 8.5214 126.3557 62.9797 33.0351 176.0074 63 A 4.6918 7.3953 120.6355 50.8092 22.3980 175.4977 64 V 4.3428 7.8231 118.3061 59.7155 34.4284 175.1458 65 E 4.2976 8.4580 123.2224 55.5085 30.3173 176.8990 66 S 4.2077 8.3962 115.6609 59.0733 63.4811 173.3726 67 M 4.6488 7.9706 119.3346 53.9567 35.1461 173.8471 68 N 4.7860 8.1292 120.3971 51.3328 41.9794 174.1026 69 F 4.7610 8.6711 121.5825 56.0023 39.4959 175.4997 70 I 4.1315 8.4482 120.6711 62.0026 38.2829 176.5462 71 K 4.6733 7.7148 117.9664 53.4345 35.6634 174.0460 72 P 4.6862 0.0000 0.0000 62.4890 32.3531 175.5311 73 I 4.7602 8.1390 119.1308 59.7298 40.3641 175.4025 74 S 4.8213 9.0818 120.5685 56.2058 65.0615 174.0471 75 V 3.8599 8.0663 123.0254 64.3445 31.7043 175.4363 76 G 4.1467 9.0342 115.6698 45.8034 0.0000 174.0324 77 D 4.6362 8.1090 119.1075 54.2137 42.3992 175.7657 78 V 4.4916 8.5235 121.5933 62.0139 33.3620 174.7917 79 V 4.8459 9.3464 127.9593 61.3945 34.1331 173.6788 80 C 5.2060 9.3964 126.0761 58.2019 31.0691 172.5190 81 C 5.2019 8.7892 121.5466 58.3514 30.1267 172.4178 82 Y 5.1547 9.3793 121.7225 56.1466 40.9485 174.9904 83 G 4.4574 9.2250 109.5857 44.5151 0.0000 171.4375 84 Q 4.7689 9.0372 125.0852 54.2227 32.3065 173.4635 85 C 4.7584 8.8988 127.9776 59.6644 31.5794 172.8338 86 L 4.5939 9.1931 126.4276 55.8685 43.1030 176.9470 87 K 4.6145 7.8244 118.3193 54.9767 35.8791 174.6508 88 V 4.5960 8.5254 126.4378 61.0654 33.1221 174.9820 89 G 4.1494 9.1128 121.0371 45.5701 0.0000 174.3481 90 R 4.0584 8.7532 119.8452 58.8714 30.6880 178.5420 91 S 4.7096 7.9774 110.1451 57.8711 65.2393 173.5033 92 S 5.2219 7.7941 115.9819 57.4845 65.3672 173.2486 93 I 5.0417 8.7468 121.7764 59.7840 41.2257 174.3316 94 K 4.9236 9.1244 127.4069 55.4135 33.7530 175.7138 95 I 5.0088 9.1589 126.6770 59.2383 40.3819 174.7509 96 K 4.7369 9.3586 129.7637 56.0592 33.4890 175.4304 97 V 5.0829 9.3563 128.0418 61.3256 33.8911 173.9889 98 E 5.1531 9.2669 127.3870 54.7668 32.4780 174.9884 99 V 4.9498 8.5650 123.0951 61.0581 34.1340 174.3482 100 W 5.1132 9.4003 127.4237 54.7898 33.0533 174.5344 101 V 4.7873 8.7132 122.9116 60.8871 34.2320 173.9363 102 K 5.0218 8.7344 128.7804 54.5437 34.3818 175.2308 103 K 4.7379 9.0097 127.7837 56.6433 32.7332 177.5834 104 V 4.0369 9.2714 123.2640 64.4150 33.6843 176.7125 105 A 4.1543 8.5688 121.1472 54.5142 18.3404 176.8842 106 S 4.8066 7.5622 106.7978 56.0319 66.4370 173.3019 107 E 4.2745 8.4992 120.0488 55.5121 29.8480 175.1009 108 P 4.5150 0.0000 0.0000 61.9328 32.2354 175.7536 109 I 3.8212 8.6880 125.5977 62.4818 37.3160 176.3467 110 G 4.0705 8.8455 114.3847 45.0057 0.0000 173.5292 111 E 4.2523 8.0410 121.6384 56.3942 30.8905 175.6285 112 R 5.5059 8.7277 124.6665 54.7306 32.7182 174.7522 113 Y 5.0911 8.6768 120.5341 55.6220 42.2089 173.2501 114 C 3.5182 8.0873 120.8445 58.3064 32.1756 173.1595 115 V 4.0628 8.5560 126.8919 65.3827 32.7392 175.1064 116 T 4.5965 7.3751 112.5075 61.8562 70.6911 170.9691 117 D 5.2569 8.2550 121.2029 52.6074 42.3205 174.3236 118 A 4.5146 8.9119 119.6893 51.0990 23.4443 175.4036 119 V 4.5764 8.1987 120.1900 62.1834 33.2536 174.6936 120 F 4.8207 9.6353 127.1154 56.0804 41.5955 174.7480 121 T 4.9342 8.4295 119.7735 62.0093 70.4837 173.7732 122 F 5.2713 9.1602 125.5639 55.8564 42.2992 174.9412 123 V 4.9025 9.0050 120.4252 60.8594 34.6678 174.5733 124 A 4.6263 9.3083 130.6639 52.2529 19.1458 176.7108 125 V 5.0089 8.4745 115.8154 59.5287 35.8587 175.9799 126 D 4.7067 8.8967 123.3078 52.1575 41.2629 176.3851 127 N 4.2644 8.7557 116.5029 56.6310 38.7722 175.2345 128 N 4.6937 8.7854 113.7006 52.7763 38.6660 175.8458 129 G 3.9529 8.2525 106.4007 45.3878 0.0000 174.0223 130 R 4.6091 7.7262 118.7867 54.5653 32.0422 176.1444 131 S 4.8890 8.7032 117.2460 58.9145 63.5453 173.5181 132 R 4.8021 8.7038 118.0308 54.4774 32.7690 174.8506 133 T 4.2665 8.4410 117.2406 63.3132 69.1481 174.6353 134 I 3.9257 8.4214 128.7095 60.4684 37.6120 174.5900 135 P 4.3152 0.0000 0.0000 63.1602 31.5909 176.3288 136 R 4.3656 8.4632 119.1743 56.0547 31.6088 175.6345 137 E 4.3223 8.0641 118.9330 55.9137 31.1126 175.3359 138 N 4.1744 8.7583 123.0346 54.8921 36.2059 175.7488 139 N 4.9252 7.3877 115.6457 51.0521 39.7591 173.8555 140 Q 4.1991 8.2305 121.6736 57.7918 29.2109 178.0335 141 E 3.9551 8.1875 121.0942 59.2632 29.5907 178.4841 142 L 3.9326 8.7716 120.7393 58.1803 42.1526 178.8262 143 E 3.9367 8.1028 118.4398 59.2930 29.4274 179.1484 144 K 3.8611 8.1774 119.3337 59.4520 32.1502 178.5399 145 A 3.9523 7.9715 120.7772 55.3758 18.4214 179.5457 146 L 3.9021 8.3112 117.5916 57.9593 41.4080 179.8132 147 A 4.0300 7.9686 119.9796 55.0348 18.4044 179.3463 148 L 4.2461 7.7526 116.6573 58.0622 41.8843 179.4796 149 I 3.8942 8.0465 119.9796 64.2397 36.8232 177.8869 150 S 4.4369 7.9809 110.0074 59.4590 61.9843 173.1170 151 E 4.3151 7.8706 119.1719 59.0060 31.7382 176.6569 *152 Q 4.1415 7.9154 119.9231 55.2359 28.8774 177.0282 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 11 R 8.25 4.37 0.00 1.91 2.18 0.00 3.22 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 12 Q 8.33 4.31 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.83 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 13 S 7.60 3.93 0.00 2.72 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 14 K 8.51 4.35 0.00 1.70 1.65 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.31 7.81 15 G 8.85 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 16 V 8.44 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 0.69 0.00 0.00 0.93 0.00 0.00 17 L 8.42 3.59 0.00 1.31 1.42 0.32 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.87 4.47 0.00 1.45 1.56 0.91 0.84 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 19 L 7.44 4.75 0.00 1.41 1.40 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.57 4.88 0.00 1.68 1.74 0.00 3.14 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 21 T 8.95 4.79 4.40 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 1.48 0.00 0.00 22 L 8.69 4.69 0.00 1.57 1.62 1.00 0.84 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 23 A 9.08 3.81 1.14 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 0.00 0.00 24 M 8.70 4.69 0.00 1.85 1.96 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 2.50 2.82 0.00 25 P 0.00 4.11 0.00 2.13 2.08 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 26 S 7.86 4.35 0.00 3.97 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 27 D 7.77 4.28 0.00 2.03 1.54 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 28 T 7.41 4.47 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 1.21 0.00 0.00 29 N 8.90 4.42 0.00 2.65 2.43 0.00 0.00 7.28 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 30 A 8.23 3.95 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 31 N 8.22 4.43 0.00 2.66 2.94 0.00 0.00 7.29 7.76 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 32 G 8.29 3.93 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 0.00 0.00 0.00 33 D 7.94 4.79 0.00 2.86 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 34 I 8.37 3.95 2.05 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.94 0.00 0.00 35 F 8.26 4.99 0.00 3.14 3.08 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 36 G 8.66 2.99 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 37 G 8.41 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 0.00 0.00 0.00 38 W 6.32 3.90 0.00 2.53 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 39 I 7.48 3.33 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.67 1.05 0.00 0.00 40 M 8.32 4.21 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.85 0.00 41 S 8.10 4.04 0.00 3.91 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 42 Q 7.46 3.67 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 43 M 7.90 3.85 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 44 D 7.91 3.59 0.00 2.99 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 45 M 7.87 4.03 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 46 G 8.36 3.65 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 0.00 0.00 0.00 47 G 8.34 3.61 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 0.00 0.00 0.00 48 A 7.58 2.91 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.42 3.47 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.82 0.00 0.00 50 L 7.64 4.00 0.00 1.68 1.71 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.01 3.93 0.00 1.76 1.89 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.65 7.81 53 E 7.85 3.93 0.00 2.16 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 2.50 0.00 54 I 7.51 3.92 1.98 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 1.60 0.55 0.91 0.00 0.00 55 A 8.04 4.18 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 56 H 8.45 3.98 0.00 3.28 3.37 0.00 5.82 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 57 G 7.92 3.84 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 0.00 0.00 0.00 58 R 8.05 3.96 0.00 1.91 2.07 0.00 3.13 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 59 V 8.34 5.18 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 0.80 0.00 0.00 0.80 0.00 0.00 60 V 8.87 4.73 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 0.75 0.00 0.00 1.03 0.00 0.00 61 T 8.63 4.71 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 1.23 0.00 0.00 62 V 8.52 4.20 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 0.65 0.00 0.00 0.92 0.00 0.00 63 A 7.40 4.69 1.13 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 0.00 0.00 0.00 64 V 7.82 4.34 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 0.56 0.00 0.00 -0.26 0.00 0.00 65 E 8.46 4.30 0.00 1.73 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 2.25 2.28 0.00 66 S 8.40 4.21 0.00 3.91 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 67 M 7.97 4.65 0.00 1.53 1.72 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 2.25 2.03 0.00 68 N 8.13 4.79 0.00 2.57 2.59 0.00 0.00 6.89 7.45 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 69 F 8.67 4.76 0.00 3.07 3.05 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 70 I 8.45 4.13 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.88 0.00 0.00 71 K 7.71 4.67 0.00 1.85 1.52 0.00 1.71 0.00 0.00 1.13 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.33 7.81 72 P 0.00 4.69 0.00 2.22 2.08 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 I 8.14 4.76 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 1.03 0.00 0.00 74 S 9.08 4.82 0.00 4.04 3.76 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 75 V 8.07 3.86 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 0.79 0.00 0.00 0.84 0.00 0.00 76 G 9.03 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 77 D 8.11 4.64 0.00 2.81 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 78 V 8.52 4.49 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 1.02 0.00 0.00 0.96 0.00 0.00 79 V 9.35 4.85 2.30 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 1.04 0.00 0.00 1.20 0.00 0.00 80 C 9.40 5.21 0.00 3.09 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 81 C 8.79 5.20 0.00 2.73 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 82 Y 9.38 5.15 0.00 3.03 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 83 G 9.23 4.46 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 0.00 84 Q 9.04 4.77 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 85 C 8.90 4.76 0.00 3.06 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 86 L 9.19 4.59 0.00 1.54 1.72 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.82 4.61 0.00 1.80 1.60 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 88 V 8.53 4.60 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 0.87 0.00 0.00 0.95 0.00 0.00 89 G 9.11 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 90 R 8.75 4.06 0.00 1.86 1.93 0.00 3.13 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 91 S 7.98 4.71 0.00 4.04 4.14 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 92 S 7.79 5.22 0.00 3.95 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 93 I 8.75 5.04 2.06 0.00 0.00 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 1.27 0.89 1.00 0.00 0.00 94 K 9.12 4.92 0.00 1.75 1.78 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 95 I 9.16 5.01 2.26 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 1.19 0.82 1.03 0.00 0.00 96 K 9.36 4.74 0.00 1.86 1.75 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.45 7.81 97 V 9.36 5.08 2.25 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 1.04 0.00 0.00 0.97 0.00 0.00 98 E 9.27 5.15 0.00 2.29 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 2.34 2.37 0.00 99 V 8.57 4.95 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 1.01 0.00 0.00 0.96 0.00 0.00 100 W 9.40 5.11 0.00 3.48 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 0.00 101 V 8.71 4.79 0.70 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 0.94 0.00 0.00 0.85 0.00 0.00 102 K 8.73 5.02 0.00 1.90 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.59 7.81 103 K 9.01 4.74 0.00 1.98 1.82 0.00 1.93 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.78 1.79 7.81 104 V 9.27 4.04 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 0.80 0.00 0.00 0.96 0.00 0.00 105 A 8.57 4.15 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 0.00 106 S 7.56 4.81 0.00 3.94 3.83 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 0.00 107 E 8.50 4.27 0.00 1.99 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 2.33 2.25 0.00 108 P 0.00 4.52 0.00 2.26 2.21 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.00 0.00 109 I 8.69 3.82 1.90 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 0.72 0.94 0.00 0.00 110 G 8.85 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 0.00 0.00 0.00 0.00 111 E 8.04 4.25 0.00 2.11 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 2.55 2.43 0.00 112 R 8.73 5.51 0.00 1.83 2.00 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 113 Y 8.68 5.09 0.00 2.95 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 0.00 114 C 8.09 3.52 0.00 1.23 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 0.00 0.00 0.00 0.00 115 V 8.56 4.06 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 1.14 0.00 0.00 1.03 0.00 0.00 116 T 7.38 4.60 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 1.18 0.00 0.00 117 D 8.26 5.26 0.00 2.78 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 0.00 118 A 8.91 4.51 1.07 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 0.00 0.00 119 V 8.20 4.58 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 1.00 0.00 0.00 0.94 0.00 0.00 120 F 9.64 4.82 0.00 3.09 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 0.00 0.00 0.00 0.00 121 T 8.43 4.93 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 1.20 0.00 0.00 122 F 9.16 5.27 0.00 3.02 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 0.00 123 V 9.00 4.90 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 1.08 0.00 0.00 0.96 0.00 0.00 124 A 9.31 4.63 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 0.00 125 V 8.47 5.01 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 0.83 0.00 0.00 0.96 0.00 0.00 126 D 8.90 4.71 0.00 2.87 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 0.00 127 N 8.76 4.26 0.00 2.69 2.91 0.00 0.00 6.81 7.79 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 0.00 128 N 8.79 4.69 0.00 2.82 2.82 0.00 0.00 7.12 7.55 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 0.00 129 G 8.25 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 0.00 130 R 7.73 4.61 0.00 1.96 1.85 0.00 3.15 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 131 S 8.70 4.89 0.00 3.89 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 0.00 132 R 8.70 4.80 0.00 1.77 1.90 0.00 3.07 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 133 T 8.44 4.27 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 1.21 0.00 0.00 134 I 8.42 3.93 1.94 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 1.29 0.48 0.91 0.00 0.00 135 P 0.00 4.32 0.00 2.13 2.05 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.99 0.00 136 R 8.46 4.37 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 137 E 8.06 4.32 0.00 1.91 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 2.23 2.31 0.00 138 N 8.76 4.17 0.00 2.89 2.85 0.00 0.00 6.76 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.39 4.93 0.00 2.56 2.59 0.00 0.00 6.81 6.79 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 0.00 140 Q 8.23 4.20 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 141 E 8.19 3.96 0.00 2.32 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 0.00 2.41 2.43 0.00 142 L 8.77 3.93 0.00 1.71 1.87 0.92 0.99 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 0.00 143 E 8.10 3.94 0.00 2.24 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 2.33 2.42 0.00 144 K 8.18 3.86 0.00 1.95 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 145 A 7.97 3.95 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 0.00 146 L 8.31 3.90 0.00 1.67 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.97 4.03 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 0.00 148 L 7.75 4.25 0.00 1.84 1.76 0.93 0.93 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 0.00 149 I 8.05 3.89 2.01 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 1.44 1.53 0.92 0.00 0.00 150 S 7.98 4.44 0.00 4.09 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 0.00 151 E 7.87 4.32 0.00 1.92 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 2.22 2.31 0.00 *152 Q 7.92 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.