NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3555 0.0000 0.0000 62.4597 32.9962 176.5524 6 T 4.0263 8.1229 116.6037 60.9573 69.4224 173.9898 7 I 3.6575 8.3683 126.2654 64.7103 37.7955 177.5075 8 N 4.1141 8.3082 117.2199 57.1128 38.5695 176.6285 9 Q 3.9862 7.8968 118.6368 58.9717 28.9269 178.4426 10 L 3.9972 7.9872 120.0505 57.6161 41.3785 179.5911 11 V 3.5913 8.1944 117.9079 65.9784 31.6039 177.4883 12 R 3.9235 8.0800 116.6507 57.3093 29.4681 177.9265 13 K 3.7992 6.2593 123.2527 59.8471 33.0418 178.5980 14 G 4.4004 7.9563 102.7655 45.1225 0.0000 172.2974 15 R 4.4375 8.0832 116.8824 54.7711 31.4547 175.7578 16 E 4.5444 8.3241 121.6015 54.0749 31.1956 175.7229 17 K 4.1392 8.3876 126.9980 56.2529 32.5853 176.7209 18 V 3.5161 7.9401 119.2386 61.9390 32.0449 172.2188 19 R 3.7980 7.8881 128.4502 55.5442 30.9292 175.7492 20 K 4.6576 8.4051 123.2361 54.8118 35.2602 175.4905 21 K 4.3299 8.2044 119.2524 55.3330 33.2561 178.1950 22 S 4.3408 8.5296 117.8076 57.6862 60.0766 174.4829 23 K 3.9965 7.8665 126.9599 58.4143 32.5150 176.5471 24 V 3.9578 7.8757 118.2986 61.8765 33.2863 172.4303 25 P 4.6377 0.0000 0.0000 61.9188 29.9898 177.3299 26 A 4.1785 7.8999 116.1739 52.8157 18.5381 174.7387 27 L 3.5737 8.4451 125.3577 56.6085 42.0665 174.7232 28 K 3.8114 9.6963 117.9064 56.5237 30.1197 175.7684 29 G 3.8116 8.1167 103.9456 45.4436 0.0000 173.9091 30 A 3.8902 7.8887 122.4497 52.4128 18.7765 176.2318 31 P 4.0234 0.0000 0.0000 64.4242 31.5838 176.3158 32 F 5.3401 7.5815 113.0558 55.7645 43.1692 174.1210 33 R 4.6641 8.7039 120.8202 54.6025 33.4490 173.7314 34 R 5.1407 8.6438 125.9518 55.0051 32.5002 175.1031 35 G 4.1933 8.5887 112.3108 45.4358 0.0000 170.3914 36 V 4.9480 9.0275 120.5481 60.6171 34.4346 175.6581 37 C 4.4245 8.3754 123.9375 59.5019 28.9446 173.6292 38 T 4.1118 9.2188 119.3854 64.0258 68.6216 174.5746 39 V 4.5201 7.5265 120.8782 61.3146 34.7678 174.7110 40 V 4.6939 8.5168 129.2793 61.1707 30.3190 174.2565 41 R 4.7202 8.2139 122.4206 54.1696 33.8021 173.5160 42 T 5.0192 8.3726 116.4534 60.5181 69.6011 173.4527 43 V 4.7246 8.6064 120.3846 59.7708 36.0607 174.1318 44 T 5.0601 8.2545 111.4775 59.4141 70.5357 173.0298 45 P 4.5212 0.0000 0.0000 62.4566 32.8129 176.2512 46 K 4.2974 8.8666 122.2893 58.1803 32.9834 177.3909 47 K 4.1027 7.0841 110.3639 55.4433 34.4925 174.2775 48 P 4.8868 0.0000 0.0000 62.4572 32.4503 175.0173 49 N 5.0384 7.6266 115.2775 52.3826 41.4496 174.4749 50 S 4.4198 8.0416 113.5912 57.7708 65.1063 172.7389 51 A 4.4268 7.9902 131.5511 52.5612 22.5978 175.9049 52 L 5.5273 8.2216 106.8913 52.9559 42.1152 176.5640 53 R 4.1373 8.0455 119.9016 56.4944 32.1698 177.2202 54 K 4.5146 8.7338 123.1213 56.1316 32.6999 176.4801 55 V 4.6554 8.0926 125.5478 61.6144 35.0737 174.3531 56 A 4.7199 8.2894 120.5833 50.9675 22.3581 176.3499 57 K 4.6297 8.8101 123.0572 57.1120 33.6926 176.8326 58 V 4.7843 8.9196 123.1419 61.2433 35.3318 174.0542 59 R 4.7743 9.1261 129.0032 55.0241 31.0673 176.0618 60 L 4.7694 8.4387 127.1826 53.7206 43.3209 178.1861 61 T 3.8872 8.0589 110.1336 64.8418 68.8273 175.4891 62 S 4.3994 8.0609 117.3078 58.3319 62.4408 176.0160 63 G 4.0902 8.1340 107.9782 46.2629 0.0000 176.0269 64 Y 4.1819 7.9476 117.5592 60.0238 38.1299 174.1796 65 E 5.9800 8.1836 124.2819 57.2630 32.5162 177.6950 66 V 4.8050 7.6163 119.6726 59.7855 36.8718 174.3594 67 T 4.7644 8.6265 112.7018 61.4545 69.9639 173.6297 68 A 5.1747 8.9431 126.2843 50.3164 23.3390 173.5560 69 Y 4.8436 8.3341 118.2492 56.1751 41.9544 174.9319 70 I 4.5036 6.8574 126.7349 58.5484 37.5324 173.7881 71 P 4.4598 0.0000 0.0000 62.5933 32.0632 176.9960 72 G 4.1525 8.6146 107.9189 45.4030 0.0000 171.9767 73 E 4.3473 8.8443 118.1940 55.9910 30.1627 177.4785 74 G 4.1256 10.3592 108.6750 46.2128 0.0000 172.0304 75 H 4.4154 7.2388 114.8181 55.3898 31.3421 174.3675 76 N 4.6665 8.0810 105.5383 52.9803 38.0075 174.5283 77 L 4.7318 7.7075 116.9977 53.8560 44.7921 176.3421 78 Q 4.5885 8.4935 120.3692 53.9054 33.1643 174.8635 79 E 4.1973 8.5304 118.6351 59.1741 29.6015 176.6793 80 H 4.7461 7.9267 115.2931 53.4195 29.3288 171.1386 81 S 4.6783 7.8656 117.5983 56.2169 67.2522 173.4086 82 V 3.9425 8.6319 124.6619 63.2274 32.7309 174.8987 83 V 4.9425 8.8053 125.4620 61.7936 36.0253 172.3290 84 L 5.2805 8.5727 124.9326 53.3565 44.6264 175.0791 85 I 4.8939 9.5477 127.7325 60.4668 38.7479 176.1819 86 R 4.6472 9.8619 125.8487 55.4947 32.4207 174.8099 87 G 4.0891 8.3346 110.1011 45.4276 0.0000 171.0135 88 G 3.1347 8.0272 108.7053 43.5472 0.0000 173.9707 89 R 4.2092 8.1228 123.4300 55.2480 29.8696 176.5272 90 V 4.1253 7.7847 116.0538 60.4922 32.0397 177.0078 91 K 4.3551 8.2228 135.0000 54.8303 31.4665 176.2632 92 D 4.6213 10.6100 115.9628 54.2567 47.3800 173.6503 93 L 4.6941 7.5217 119.1660 51.6324 41.9192 173.2312 94 P 4.3170 0.0000 0.0000 63.7856 32.0386 175.2976 95 G 4.1343 9.0476 111.8562 46.1442 0.0000 173.9394 96 V 3.9722 7.6639 121.6879 62.8851 30.8440 175.8438 97 R 4.5821 8.5286 125.5009 56.0391 31.5617 175.0413 98 Y 5.3105 7.9224 115.9425 56.4622 42.7373 173.6971 99 H 5.1768 8.9227 116.1121 54.2171 32.8438 173.8295 100 I 4.5314 8.8293 122.6996 61.0031 38.5288 175.4252 101 V 4.2954 8.0256 123.4568 60.9516 32.9739 175.7967 102 R 3.9823 8.8495 126.9922 56.3470 30.7352 176.0323 103 G 3.9625 8.5161 105.0354 46.2615 0.0000 174.1989 104 V 4.0486 7.4584 118.4695 61.9150 35.4790 173.6561 105 Y 3.6165 7.7958 125.1631 59.9177 36.1039 171.1369 106 D 4.4663 9.2680 128.5467 55.8512 40.9732 175.7226 107 A 4.3592 8.1446 124.3065 50.6049 18.8431 176.3647 108 A 4.6988 8.4060 125.7489 51.3617 19.9171 177.3809 109 G 4.3320 8.4380 109.0896 45.5478 0.0000 173.3355 110 V 3.9141 7.8520 120.1650 62.8000 31.7232 175.8000 111 K 4.1759 8.7651 128.1951 56.3916 33.8520 175.7945 112 D 4.3495 8.6649 122.5117 54.9555 38.7267 173.4759 113 R 4.1964 7.4758 117.7932 55.8201 30.5878 176.1404 114 K 4.5917 8.4145 123.2404 57.1245 35.6667 177.3486 115 K 4.6789 7.4037 121.5383 55.2307 30.6955 180.3862 116 S 4.1740 8.8684 127.7240 60.1063 62.2746 173.3010 117 R 4.5444 8.4870 123.5199 56.5371 32.3410 178.0272 118 S 4.1255 8.4363 111.4851 61.2354 62.6151 174.7010 119 K 4.2452 7.9995 119.2694 57.5591 32.3174 177.0910 120 Y 3.4488 8.3653 119.1922 58.9539 35.3284 170.3189 121 G 3.9794 7.1047 104.2790 47.0873 0.0000 173.1425 122 T 4.8676 7.9488 122.4187 61.5662 72.0501 174.6746 123 K 4.1146 8.4671 124.8449 55.6067 32.8235 176.8255 124 K 3.9445 8.5038 123.6833 55.9218 32.2517 174.7026 125 P 4.4449 0.0000 0.0000 62.1101 32.2855 176.1261 126 K 4.2276 8.3812 122.7232 56.3293 32.9003 176.0855 127 E 4.4091 8.6664 122.2969 56.4679 29.8260 176.5820 128 A 3.4418 7.3357 120.9588 52.7587 15.8110 178.4180 *129 A 4.1172 7.7743 124.6466 51.6990 18.9464 177.1117 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 5 P 0.00 4.36 0.00 2.06 2.05 0.00 3.64 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 1.92 2.08 0.00 6 T 8.12 4.03 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 1.28 0.00 0.00 7 I 8.37 3.66 1.87 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 1.52 0.97 0.91 0.00 0.00 8 N 8.31 4.11 0.00 2.75 2.84 0.00 0.00 7.12 6.72 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 9 Q 7.90 3.99 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 10 L 7.99 4.00 0.00 1.89 1.72 0.92 0.70 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 11 V 8.19 3.59 2.27 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 0.83 0.00 0.00 1.00 0.00 0.00 12 R 8.08 3.92 0.00 1.99 1.75 0.00 3.24 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 13 K 6.26 3.80 0.00 1.90 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.96 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 0.00 0.00 0.00 0.00 15 R 8.08 4.44 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 16 E 8.32 4.54 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 2.21 2.27 0.00 17 K 8.39 4.14 0.00 1.75 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.94 3.52 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.89 3.80 0.00 1.93 1.94 0.00 3.19 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 K 8.41 4.66 0.00 1.86 1.75 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81 21 K 8.20 4.33 0.00 1.74 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.53 4.34 0.00 3.86 3.79 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 0.00 0.00 0.00 23 K 7.87 4.00 0.00 1.72 1.80 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.44 7.81 24 V 7.88 3.96 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 0.80 0.00 0.00 0.51 0.00 0.00 25 P 0.00 4.64 0.00 2.39 2.29 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 26 A 7.90 4.18 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 27 L 8.45 3.57 0.00 1.62 1.51 0.04 0.73 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 28 K 9.70 3.81 0.00 1.81 1.84 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.37 7.81 29 G 8.12 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 30 A 7.89 3.89 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 31 P 0.00 4.02 0.00 1.82 1.71 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 32 F 7.58 5.34 0.00 2.94 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 33 R 8.70 4.66 0.00 1.96 1.64 0.00 3.12 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 34 R 8.64 5.14 0.00 1.99 1.70 0.00 2.51 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 35 G 8.59 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 0.00 0.00 0.00 0.00 36 V 9.03 4.95 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 0.94 0.00 0.00 0.86 0.00 0.00 37 C 8.38 4.42 0.00 2.96 2.91 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 38 T 9.22 4.11 4.30 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 1.28 0.00 0.00 39 V 7.53 4.52 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 0.92 0.00 0.00 0.93 0.00 0.00 40 V 8.52 4.69 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 0.70 0.00 0.00 0.89 0.00 0.00 41 R 8.21 4.72 0.00 1.93 1.74 0.00 3.29 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 42 T 8.37 5.02 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 43 V 8.61 4.72 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 0.87 0.00 0.00 0.98 0.00 0.00 44 T 8.25 5.06 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 45 P 0.00 4.52 0.00 2.24 2.15 0.00 3.80 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 2.11 2.00 0.00 46 K 8.87 4.30 0.00 1.99 1.67 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.36 7.81 47 K 7.08 4.10 0.00 1.78 1.60 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 48 P 0.00 4.89 0.00 2.17 2.08 0.00 3.50 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 1.88 2.06 0.00 49 N 7.63 5.04 0.00 2.73 2.75 0.00 0.00 6.55 7.43 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 50 S 8.04 4.42 0.00 3.78 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 51 A 7.99 4.43 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 52 L 8.22 5.53 0.00 1.50 1.59 0.94 1.04 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 53 R 8.05 4.14 0.00 1.97 2.35 0.00 3.26 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 54 K 8.73 4.51 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 55 V 8.09 4.66 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 1.11 0.00 0.00 1.08 0.00 0.00 56 A 8.29 4.72 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 57 K 8.81 4.63 0.00 1.74 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.40 7.81 58 V 8.92 4.78 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 0.94 0.00 0.00 0.96 0.00 0.00 59 R 9.13 4.77 0.00 1.91 1.84 0.00 3.23 0.00 0.00 3.44 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 60 L 8.44 4.77 0.00 1.53 1.46 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.06 3.89 4.21 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 1.23 0.00 0.00 62 S 8.06 4.40 0.00 3.46 3.67 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 63 G 8.13 4.09 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 0.00 64 Y 7.95 4.18 0.00 2.97 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 65 E 8.18 5.98 0.00 1.99 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 2.05 1.99 0.00 66 V 7.62 4.81 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 0.84 0.00 0.00 0.72 0.00 0.00 67 T 8.63 4.76 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 1.26 0.00 0.00 68 A 8.94 5.17 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 69 Y 8.33 4.84 0.00 2.94 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 70 I 6.86 4.50 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.83 0.00 0.00 71 P 0.00 4.46 0.00 1.85 2.18 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 72 G 8.61 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 73 E 8.84 4.35 0.00 1.96 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 2.25 2.37 0.00 74 G 10.36 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 0.00 0.00 0.00 0.00 75 H 7.24 4.42 0.00 3.15 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.08 4.67 0.00 2.81 2.86 0.00 0.00 5.68 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 77 L 7.71 4.73 0.00 1.41 1.49 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.49 4.59 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 79 E 8.53 4.20 0.00 1.95 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 0.00 2.37 2.53 0.00 80 H 7.93 4.75 0.00 3.08 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.87 4.68 0.00 3.69 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 82 V 8.63 3.94 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 0.49 0.00 0.00 0.86 0.00 0.00 83 V 8.81 4.94 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 0.95 0.00 0.00 84 L 8.57 5.28 0.00 1.81 1.40 0.50 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.55 4.89 1.96 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 1.21 0.71 0.98 0.00 0.00 86 R 9.86 4.65 0.00 1.87 2.10 0.00 3.41 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 87 G 8.33 4.09 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 0.00 88 G 8.03 3.13 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 0.00 89 R 8.12 4.21 0.00 1.85 1.91 0.00 2.59 0.00 0.00 3.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 90 V 7.78 4.13 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 0.77 0.00 0.00 0.60 0.00 0.00 91 K 8.22 4.36 0.00 1.70 1.76 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 10.61 4.62 0.00 2.70 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 93 L 7.52 4.69 0.00 1.67 1.58 0.97 1.12 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 94 P 0.00 4.32 0.00 2.04 1.98 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 95 G 9.05 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 0.00 0.00 0.00 0.00 96 V 7.66 3.97 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 1.04 0.00 0.00 1.00 0.00 0.00 97 R 8.53 4.58 0.00 1.16 1.45 0.00 3.00 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 98 Y 7.92 5.31 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 99 H 8.92 5.18 0.00 3.17 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.83 4.53 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.90 0.00 0.00 101 V 8.03 4.30 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 0.56 0.00 0.00 0.84 0.00 0.00 102 R 8.85 3.98 0.00 1.79 1.87 0.00 3.58 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 103 G 8.52 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 0.00 104 V 7.46 4.05 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 0.20 0.00 0.00 0.76 0.00 0.00 105 Y 7.80 3.62 0.00 3.18 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 0.00 0.00 0.00 0.00 106 D 9.27 4.47 0.00 2.97 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 0.00 107 A 8.14 4.36 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 0.00 108 A 8.41 4.70 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 0.00 109 G 8.44 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 0.00 110 V 7.85 3.91 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 0.83 0.00 0.00 1.24 0.00 0.00 111 K 8.77 4.18 0.00 1.89 1.65 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 112 D 8.66 4.35 0.00 2.80 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 0.00 113 R 7.48 4.20 0.00 1.76 1.81 0.00 3.15 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 114 K 8.41 4.59 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.56 7.81 115 K 7.40 4.68 0.00 1.65 0.81 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 116 S 8.87 4.17 0.00 3.73 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 0.00 117 R 8.49 4.54 0.00 1.85 2.10 0.00 3.44 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 118 S 8.44 4.13 0.00 3.85 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 0.00 119 K 8.00 4.25 0.00 2.30 1.89 0.00 1.89 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.56 7.81 120 Y 8.37 3.45 0.00 3.21 3.24 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 0.00 121 G 7.10 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 0.00 122 T 7.95 4.87 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 1.27 0.00 0.00 123 K 8.47 4.11 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.50 3.94 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.44 0.00 2.21 2.03 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 126 K 8.38 4.23 0.00 1.85 1.70 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 127 E 8.67 4.41 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 2.29 2.24 0.00 128 A 7.34 3.44 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 *129 A 7.77 4.12 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 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.