NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4142 8.3349 115.4111 58.3956 64.2166 173.0827 1 L 4.2117 8.2884 119.3771 54.5133 41.8590 175.7855 2 R 3.9762 7.6552 120.5636 55.9320 31.6005 177.7141 3 V 3.5814 8.5239 122.7584 64.7070 31.3307 177.9423 4 E 2.5400 7.4658 117.1025 57.4301 29.4862 178.0025 5 E 4.1218 7.7834 118.8222 58.0648 30.2005 177.7222 6 T 4.2804 7.6731 110.6601 61.1820 71.1537 175.4366 7 E 4.0473 8.7605 122.6418 59.5839 29.3754 179.6891 8 V 3.7053 7.8951 116.9036 66.0486 31.9636 177.3418 9 F 4.4270 8.2235 120.2272 61.5689 39.3236 177.1774 10 K 4.4172 8.5348 118.3053 59.4549 31.6480 179.1782 11 K 4.1441 7.9592 117.2433 59.2026 32.6112 177.8401 12 Y 4.0126 7.6146 116.2573 58.2325 37.6137 175.4700 13 F 4.8909 7.8431 118.6019 57.0175 40.2366 177.2979 14 K 4.1105 8.2148 122.6277 58.9721 31.9466 177.4663 15 N 4.7760 8.0234 114.4442 52.3767 37.5566 174.4681 16 L 4.9477 7.3289 117.6585 52.7891 44.8859 177.1174 17 T 4.2212 8.5370 113.2950 61.4537 70.8494 175.5669 18 D 4.3743 8.5178 120.7269 57.4385 40.7887 179.3402 19 R 3.9815 7.8620 118.2000 59.2143 30.0659 178.6454 20 E 4.0558 8.1640 118.3929 59.5019 29.4281 179.3785 21 R 4.0338 8.3862 118.6509 59.4736 30.1604 178.3362 22 A 4.0444 8.3492 120.6262 55.4518 18.3603 180.0686 23 V 3.7280 8.2052 110.8651 64.0439 31.6149 178.5211 24 F 4.3433 8.6486 120.8992 61.6458 39.2932 177.0466 25 E 3.7861 8.6155 118.4017 59.1986 29.2167 179.7025 26 G 3.6696 8.3315 105.9330 47.6274 0.0000 175.9476 27 G 3.6336 8.4049 108.7487 47.5189 0.0000 175.4619 28 I 3.5935 7.5454 122.6666 64.6161 37.0747 178.6458 29 T 3.9146 7.8293 116.0937 66.5235 68.2719 176.9077 30 L 4.1312 8.0681 121.0953 57.7305 41.6870 179.7510 31 G 3.6458 8.3192 105.5445 47.6583 0.0000 175.4166 32 A 4.0070 8.4228 123.8011 54.8504 18.3261 179.4346 33 L 4.1229 8.3163 119.0323 58.3152 42.2219 178.7635 34 F 4.0234 8.3745 120.4533 61.9843 39.1669 176.8488 35 H 4.4563 8.3081 113.9544 58.3797 28.6303 177.3232 36 Q 3.8564 8.2366 121.3235 58.3370 29.1287 177.1685 37 F 4.6980 7.7650 117.1494 56.8936 40.4722 176.2401 38 V 3.7046 7.0536 118.5211 64.3760 31.6252 175.6677 39 G 4.0752 8.9701 115.4650 45.5644 0.0000 174.1383 40 T 4.0934 7.9323 117.5826 62.7309 69.4586 172.4607 41 P 5.0649 0.0000 0.0000 63.1282 32.1378 176.1808 42 V 4.8686 9.4769 123.9220 60.2561 35.1280 174.6527 43 S 5.2178 9.6216 118.6133 56.5003 66.6393 174.8173 44 K 3.9220 8.7771 118.8978 59.8116 32.0124 178.0495 45 Y 4.2625 7.7587 118.5656 60.2625 38.6914 176.8057 46 N 4.8007 8.1224 113.4532 52.0662 38.4345 175.5241 47 K 3.7548 8.1015 121.1646 60.1909 32.0304 178.1708 48 E 3.8675 8.0202 118.8212 59.2896 29.6246 178.6823 49 S 4.0252 7.9050 113.8768 61.2409 62.9160 176.0975 50 L 3.7920 8.0402 123.9289 57.8510 41.8943 178.6505 51 E 3.7944 8.1103 118.5417 59.4772 29.3872 179.4732 52 R 3.7914 8.1261 118.4881 59.3173 30.1178 178.3764 53 A 3.9272 8.1375 120.8537 55.0384 18.1053 179.6580 54 I 3.0502 7.4141 117.5877 64.3055 37.1930 177.9742 55 E 4.0572 7.6777 117.7900 59.8244 29.4510 179.2514 56 E 4.1279 8.0916 116.6289 59.0605 29.7279 179.4991 57 A 4.1192 7.9774 117.2530 53.0925 17.9170 179.1271 *59 K 4.2435 7.9798 121.0302 57.7569 34.1218 177.2815 60 N 4.4433 7.9089 115.2403 56.0333 38.9002 175.9051 61 Q 4.1876 7.8441 116.3510 54.4558 29.5684 173.4645 62 P 4.5600 0.0000 0.0000 64.0540 31.8296 176.2432 63 C 3.7767 9.3615 118.8237 60.0937 26.3650 172.8258 64 V 4.0522 7.5036 120.2985 63.1093 31.4710 174.7867 65 Y 4.5504 8.8750 129.2325 59.6718 39.6989 174.8161 66 D 4.6131 7.8217 116.0143 53.5258 44.8627 173.5520 67 I 4.9714 7.9054 121.5915 59.6826 41.3895 173.5500 68 K 4.7675 9.3457 129.8450 54.5815 35.4046 174.6893 69 V 4.7753 9.0811 127.4969 60.9026 33.7415 174.3697 70 K 4.7380 9.2010 129.4226 54.6392 35.0542 174.4259 71 I 4.6260 8.8506 128.3877 59.7649 38.4521 175.8598 72 R 4.3471 8.6118 126.0424 56.0033 31.4107 175.3143 73 N 4.1759 8.5127 114.2957 54.3254 36.0650 174.8023 74 V 3.8238 7.9370 117.0044 62.3293 32.6394 174.9922 75 G 4.2512 8.1902 114.7419 43.2836 0.0000 173.5418 76 E 3.9762 8.7078 117.8372 58.7287 29.5822 177.7602 77 K 4.5655 7.7313 119.3190 55.3137 33.2548 176.3125 78 Y 4.7918 8.5811 124.8906 57.2318 39.3109 174.7731 79 V 4.3302 8.7378 113.2646 59.2984 36.7647 174.9520 80 S 4.6285 8.5482 118.5478 58.1903 63.5200 174.2093 81 L 3.8909 8.8994 127.3447 56.0877 42.7014 175.2361 82 D 4.9952 8.4903 125.1186 52.0397 43.2120 176.0676 83 G 3.3674 8.5833 113.5775 48.5372 0.0000 175.2482 84 K 4.2150 8.0011 120.8727 55.8367 30.9171 177.0450 *86 L 4.2339 7.6511 117.1296 54.7570 43.4472 177.3399 87 D 4.8680 9.0718 122.0564 52.7170 44.2086 174.0423 88 V 4.9382 9.1134 126.4542 61.0748 35.2266 173.7424 89 D 5.3490 8.9381 126.8474 52.3918 43.8748 174.7228 90 L 5.1377 8.8807 125.0704 53.0794 45.6983 174.9525 91 K 4.9916 9.2982 125.2710 54.6894 34.9940 174.9301 92 I 4.8417 8.6887 126.0998 59.3283 39.7928 174.3954 93 K 4.8028 8.7173 128.4816 54.6740 34.0003 175.4228 94 I 4.4028 8.7389 129.2812 60.0947 40.0359 177.4192 95 N 4.1829 8.8083 125.5106 54.6195 37.5088 175.8693 96 K 4.3504 9.1227 125.3338 57.3477 33.1584 175.6848 97 T 4.6201 8.1386 118.1341 62.3557 70.3282 173.8674 98 V 4.8093 8.9629 126.1220 61.0555 34.2981 173.8702 99 A 4.7636 8.9911 130.3815 50.9378 21.0493 175.2191 100 H 5.0876 9.0984 120.1195 54.1878 30.8261 174.0754 101 L 5.0433 9.1136 123.3271 52.6441 45.4284 175.4632 102 K 4.8277 8.5435 121.5807 54.5052 35.4427 175.0444 103 L 5.1495 8.5861 128.7952 53.3090 44.5490 174.8030 104 E 5.2487 9.0237 122.5648 55.3351 33.2280 173.6744 105 Y 4.7303 8.7658 123.1843 57.8582 40.5001 174.1853 106 I 4.1826 8.4764 128.6737 58.9602 38.0853 174.5288 107 P 3.7994 0.0000 0.0000 65.3382 31.5040 179.0568 108 E 3.9600 8.1596 116.5013 58.5836 29.4241 177.6752 109 I 4.2430 7.5162 108.8100 59.4241 38.4054 174.8462 110 D 4.4392 7.7623 118.4208 54.2790 40.0617 173.0007 111 Y 4.9476 7.7177 119.0873 55.4463 43.0785 173.0973 112 P 4.8573 0.0000 0.0000 62.7685 31.5140 175.0928 113 L 4.8435 8.7665 131.8848 54.2618 45.5669 174.1458 *115 Y 4.7371 8.1753 115.3749 57.3742 40.0815 173.6219 116 V 4.3945 8.2821 118.9728 61.4685 32.2154 175.4315 117 K 4.4034 8.9337 129.0470 58.5230 32.1667 177.2429 118 K 4.4597 7.4483 116.2818 56.2910 35.5638 173.2953 119 F 5.3074 8.8772 119.1597 55.7270 41.8395 174.8752 120 E 4.6709 9.7747 123.6837 54.5581 31.9984 175.9019 121 E 4.4497 8.6979 125.5897 56.6471 30.5275 175.6689 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 0 S 8.33 4.41 0.00 3.98 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 1 L 8.29 4.21 0.00 1.72 1.73 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.66 3.98 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 3 V 8.52 3.58 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 1.06 0.00 0.00 4 E 7.47 2.54 0.00 1.45 1.21 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 2.13 2.08 0.00 5 E 7.78 4.12 0.00 2.11 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 2.30 2.17 0.00 6 T 7.67 4.28 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 1.24 0.00 0.00 7 E 8.76 4.05 0.00 2.06 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 0.00 2.45 2.35 0.00 8 V 7.90 3.71 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 1.03 0.00 0.00 1.02 0.00 0.00 9 F 8.22 4.43 0.00 3.32 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 10 K 8.53 4.42 0.00 2.19 2.02 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.68 1.86 7.81 11 K 7.96 4.14 0.00 1.81 2.02 0.00 1.44 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 0.96 7.81 12 Y 7.61 4.01 0.00 2.56 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 0.00 0.00 0.00 13 F 7.84 4.89 0.00 3.16 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 14 K 8.21 4.11 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 15 N 8.02 4.78 0.00 2.78 2.85 0.00 0.00 5.82 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 16 L 7.33 4.95 0.00 1.74 1.63 0.97 0.77 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 17 T 8.54 4.22 4.22 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 1.25 0.00 0.00 18 D 8.52 4.37 0.00 2.71 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 19 R 7.86 3.98 0.00 1.69 1.67 0.00 2.98 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.48 0.00 20 E 8.16 4.06 0.00 2.22 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 2.37 2.34 0.00 21 R 8.39 4.03 0.00 2.14 2.00 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 22 A 8.35 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.73 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 1.08 0.00 0.00 1.19 0.00 0.00 24 F 8.65 4.34 0.00 3.17 3.38 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 25 E 8.62 3.79 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 2.52 2.45 0.00 26 G 8.33 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 0.00 0.00 0.00 27 G 8.40 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 0.00 0.00 0.00 28 I 7.55 3.59 1.79 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.06 0.82 0.00 0.00 29 T 7.83 3.91 4.22 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 1.22 0.00 0.00 30 L 8.07 4.13 0.00 1.72 1.75 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.32 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 32 A 8.42 4.01 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 33 L 8.32 4.12 0.00 1.98 2.04 0.94 0.98 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 34 F 8.37 4.02 0.00 3.33 3.12 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 0.00 0.00 0.00 0.00 35 H 8.31 4.46 0.00 3.37 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.24 3.86 0.00 1.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 37 F 7.77 4.70 0.00 3.18 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 38 V 7.05 3.70 1.91 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 0.62 0.00 0.00 0.19 0.00 0.00 39 G 8.97 4.08 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 0.00 40 T 7.93 4.09 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 1.27 0.00 0.00 41 P 0.00 5.06 0.00 1.74 1.45 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 42 V 9.48 4.87 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 0.82 0.00 0.00 0.94 0.00 0.00 43 S 9.62 5.22 0.00 4.17 4.12 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 0.00 0.00 0.00 0.00 44 K 8.78 3.92 0.00 1.83 1.96 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.49 7.81 45 Y 7.76 4.26 0.00 2.91 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 46 N 8.12 4.80 0.00 2.88 3.11 0.00 0.00 5.79 7.33 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 47 K 8.10 3.75 0.00 2.05 1.84 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.45 7.81 48 E 8.02 3.87 0.00 2.01 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 2.32 2.31 0.00 49 S 7.91 4.03 0.00 4.02 4.02 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 0.00 0.00 0.00 50 L 8.04 3.79 0.00 1.80 1.76 0.82 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 51 E 8.11 3.79 0.00 2.14 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 2.33 2.35 0.00 52 R 8.13 3.79 0.00 1.86 1.85 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 53 A 8.14 3.93 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 54 I 7.41 3.05 1.64 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.65 0.00 0.00 55 E 7.68 4.06 0.00 2.03 1.96 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 2.39 2.41 0.00 56 E 8.09 4.13 0.00 1.91 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 0.00 2.30 2.43 0.00 57 A 7.98 4.12 1.52 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 0.00 0.00 *59 K 7.98 4.24 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.59 7.81 60 N 7.91 4.44 0.00 2.88 2.88 0.00 0.00 7.03 8.32 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 61 Q 7.84 4.19 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 62 P 0.00 4.56 0.00 2.23 1.90 0.00 3.85 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 63 C 9.36 3.78 0.00 3.14 3.20 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 64 V 7.50 4.05 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 0.71 0.00 0.00 0.98 0.00 0.00 65 Y 8.88 4.55 0.00 2.90 3.10 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 0.00 66 D 7.82 4.61 0.00 2.47 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 67 I 7.91 4.97 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.89 0.00 0.00 68 K 9.35 4.77 0.00 1.75 1.55 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.44 7.81 69 V 9.08 4.78 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 0.70 0.00 0.00 0.86 0.00 0.00 70 K 9.20 4.74 0.00 1.78 1.71 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.36 7.81 71 I 8.85 4.63 1.83 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 1.16 0.67 0.87 0.00 0.00 72 R 8.61 4.35 0.00 1.77 1.84 0.00 3.40 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 73 N 8.51 4.18 0.00 2.82 2.86 0.00 0.00 6.91 7.68 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 74 V 7.94 3.82 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 0.97 0.00 0.00 75 G 8.19 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 0.00 0.00 0.00 0.00 76 E 8.71 3.98 0.00 1.98 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 2.33 2.26 0.00 77 K 7.73 4.57 0.00 1.75 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.41 7.81 78 Y 8.58 4.79 0.00 3.08 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 79 V 8.74 4.33 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 0.58 0.00 0.00 0.91 0.00 0.00 80 S 8.55 4.63 0.00 3.75 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 81 L 8.90 3.89 0.00 1.84 1.56 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.49 5.00 0.00 2.58 2.38 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 83 G 8.58 3.37 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 0.00 84 K 8.00 4.22 0.00 1.51 0.99 0.00 1.59 0.00 0.00 1.40 0.00 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *86 L 7.65 4.23 0.00 1.70 1.65 0.76 0.95 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 87 D 9.07 4.87 0.00 2.77 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 88 V 9.11 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 1.03 0.00 0.00 0.93 0.00 0.00 89 D 8.94 5.35 0.00 2.58 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 90 L 8.88 5.14 0.00 1.68 1.40 0.97 0.42 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 91 K 9.30 4.99 0.00 1.87 1.75 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 1.35 7.81 92 I 8.69 4.84 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.30 1.01 0.00 0.00 93 K 8.72 4.80 0.00 1.37 1.60 0.00 0.89 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.31 7.81 94 I 8.74 4.40 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.22 0.98 0.00 0.00 95 N 8.81 4.18 0.00 2.97 2.15 0.00 0.00 7.10 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 96 K 9.12 4.35 0.00 1.70 1.82 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.48 7.81 97 T 8.14 4.62 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 1.34 0.00 0.00 98 V 8.96 4.81 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 0.80 0.00 0.00 0.68 0.00 0.00 99 A 8.99 4.76 1.15 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 0.00 100 H 9.10 5.09 0.00 3.01 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.11 5.04 0.00 1.46 1.51 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.54 4.83 0.00 1.16 0.74 0.00 1.79 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.27 7.81 103 L 8.59 5.15 0.00 1.81 1.50 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.02 5.25 0.00 2.17 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 2.50 2.42 0.00 105 Y 8.77 4.73 0.00 3.27 2.95 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 0.00 106 I 8.48 4.18 1.81 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 1.41 1.13 0.86 0.00 0.00 107 P 0.00 3.80 0.00 2.11 2.12 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 108 E 8.16 3.96 0.00 1.87 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 2.28 2.33 0.00 109 I 7.52 4.24 1.83 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 1.25 0.67 0.85 0.00 0.00 110 D 7.76 4.44 0.00 2.84 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 0.00 111 Y 7.72 4.95 0.00 3.29 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.86 0.00 2.32 2.29 0.00 2.94 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.08 0.00 113 L 8.77 4.84 0.00 2.07 1.82 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *115 Y 8.18 4.74 0.00 3.18 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 0.00 116 V 8.28 4.39 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 0.33 0.00 0.00 0.91 0.00 0.00 117 K 8.93 4.40 0.00 1.77 1.82 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.44 7.81 118 K 7.45 4.46 0.00 1.77 1.83 0.00 1.39 0.00 0.00 1.73 0.00 0.00 2.43 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.20 1.25 7.81 119 F 8.88 5.31 0.00 2.94 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 0.00 120 E 9.77 4.67 0.00 2.02 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 2.20 2.27 0.00 121 E 8.70 4.45 0.00 1.96 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 2.20 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.