NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0424 8.0549 117.9084 60.2968 33.6588 175.5726 4 I 4.1195 7.9817 122.8193 58.7946 37.4878 174.1226 5 N 5.0329 8.3730 123.2439 51.9699 38.9998 173.7538 6 T 4.6264 7.7304 109.0295 60.5974 72.4321 174.5559 7 F 4.2135 8.3426 120.5629 61.2201 38.9889 177.8350 8 D 4.5672 8.3291 117.8897 57.2481 40.7670 178.9147 9 G 3.6517 8.1807 106.3524 47.8953 0.0000 176.0090 10 V 3.6907 7.9298 120.6942 65.4795 31.4999 177.9882 11 A 4.1245 8.2134 120.6461 55.3930 18.1159 179.4144 12 D 4.3101 8.2626 117.4754 57.3468 40.8867 178.4169 13 Y 3.9316 8.2513 119.9385 60.6877 38.8245 177.9090 14 A 4.1828 8.4769 123.4689 54.8095 18.2605 179.6757 15 Q 3.6457 7.6492 115.0057 58.4053 28.7362 178.3653 16 T 3.7280 6.7809 115.7913 65.3737 69.2222 176.0118 17 Y 4.2417 7.1519 115.2733 56.9901 38.7389 175.0959 18 H 2.5800 7.3759 118.8831 56.4121 26.9393 174.8468 19 K 4.4550 7.1602 117.0083 54.3132 35.1961 176.2469 20 L 4.4581 8.3994 118.1010 53.8464 42.5456 175.3404 21 P 3.8903 0.0000 0.0000 62.5446 31.5295 177.0977 22 D 4.5088 8.4046 118.5039 56.8114 40.9472 177.1948 23 N 4.5672 8.0269 115.7309 53.1513 37.5408 173.4315 24 Y 5.0801 7.3020 115.5321 56.6846 39.9662 175.1927 25 I 4.9554 8.5119 115.6175 59.2880 41.7303 174.9375 26 T 4.6019 9.3089 115.0015 61.1200 70.1386 175.6698 27 K 3.9598 9.2799 121.6698 59.8750 31.9471 179.9240 28 S 4.2346 8.0972 114.8437 61.7218 62.6306 176.4479 29 E 4.0260 7.9630 119.5741 59.1677 29.4555 178.9665 30 A 4.1498 8.1843 120.8971 55.3450 18.4621 179.6193 31 Q 4.1720 8.7992 116.8087 59.2224 28.6374 178.8773 32 A 4.2241 8.0437 119.9399 53.9355 18.5167 178.4759 33 L 4.4853 7.6214 116.0059 54.2725 42.2812 177.2495 34 G 4.1313 7.8269 107.5727 44.7967 0.0000 173.5874 35 W 4.4478 8.1382 129.8027 56.8924 31.2934 175.5611 36 V 3.8013 8.8350 125.9212 60.5218 31.9155 175.5066 37 A 3.4589 7.3205 131.5282 55.1897 18.2064 179.2886 38 S 4.4972 7.8242 109.4805 60.3608 62.9656 174.8180 39 K 4.3060 8.0060 118.7161 55.0730 33.1134 176.1467 40 G 3.4506 7.7294 107.5387 46.8811 0.0000 174.3448 41 N 4.9526 8.0064 113.0257 52.2563 38.1835 174.9013 42 L 3.9337 8.4594 124.1058 59.2476 41.5634 178.7723 43 A 4.1016 8.2347 119.6261 55.0806 18.0340 179.1813 44 D 4.3419 7.9318 116.6278 57.4055 41.1485 178.5906 45 V 4.0705 7.7518 111.5483 62.3346 33.3347 176.4854 46 A 4.6107 8.2487 121.4620 48.6053 18.7799 172.0265 47 P 4.5456 0.0000 0.0000 63.0770 32.0873 177.4160 48 G 3.8950 8.9617 110.8662 45.1279 0.0000 173.1759 49 K 4.6615 7.5409 118.4841 55.3740 34.0476 176.2085 50 S 4.5649 8.3240 117.0380 56.5359 67.4639 173.5257 51 I 4.2924 7.9385 123.3989 61.3733 37.9673 175.2911 52 G 4.1809 9.3140 111.9186 46.9118 0.0000 173.8121 53 G 4.4128 9.6926 110.6766 44.3758 0.0000 173.8074 54 D 4.7598 7.9283 119.4456 53.6400 42.4787 175.8737 55 I 4.3253 8.3241 121.8770 61.5446 38.0320 175.0950 56 F 4.8346 8.9442 129.3595 56.4710 39.9680 176.0144 57 S 3.9890 8.1112 121.2326 59.4216 63.3920 173.8072 58 N 3.9549 7.0629 120.0706 54.7766 37.0343 176.8909 *59 R 3.9312 7.9466 116.0690 59.1403 29.3538 180.0678 60 E 4.1945 8.2243 115.3741 55.9409 29.3031 177.0882 61 G 4.6324 7.5660 106.9005 46.3745 0.0000 175.0367 62 K 4.1241 7.5074 118.9897 57.3088 32.6675 177.6009 63 L 3.9760 7.2792 118.5442 51.2468 43.5463 174.4782 64 P 4.2935 0.0000 0.0000 62.8582 31.6953 176.7325 65 G 3.9979 8.4140 111.8262 43.9347 0.0000 172.6042 66 K 4.3469 8.5798 121.9144 56.6109 34.6953 174.2031 *67 S 4.0691 8.7411 121.9758 59.4874 62.5416 171.1245 68 G 3.8771 8.8147 112.2312 44.9813 0.0000 172.5286 69 R 4.3444 8.0265 120.3199 54.6856 31.3359 175.7049 70 T 4.6796 8.8518 122.7936 61.5253 72.1120 173.1714 71 W 5.0157 8.5376 122.7417 55.0669 32.7399 174.7851 72 R 5.1392 9.0014 121.9058 54.2830 34.3247 173.9192 73 E 5.4350 8.9179 117.4746 54.9194 33.5713 174.4496 74 A 5.0050 8.7974 121.0592 50.5707 23.0098 175.3936 75 D 4.9825 9.1874 121.9954 54.3206 40.3900 176.1169 76 I 4.3722 8.3376 122.5994 60.0912 40.7181 175.6847 77 N 4.2127 8.9068 121.4953 54.3147 36.4875 173.5786 78 Y 4.4238 7.3454 117.9649 57.1756 39.6672 173.8104 79 T 4.1280 7.4349 115.0570 62.3631 70.5666 173.7864 80 S 4.1241 6.9561 113.6291 57.2265 66.1264 175.0369 81 G 3.8847 8.5143 107.1790 45.9051 0.0000 173.3815 82 F 4.5969 8.5478 119.2409 57.2781 39.6979 175.3926 83 R 4.2195 8.8001 122.7010 56.4775 30.7089 177.1876 84 N 4.8999 8.5882 119.2053 52.4869 39.9842 175.5017 85 S 4.3153 8.5445 115.8141 58.6045 64.3209 172.5873 86 D 5.5255 8.3536 121.3438 53.4518 42.5406 175.8318 87 R 4.9836 9.2839 121.5907 54.6225 35.4236 173.6146 88 I 5.0688 8.8868 121.8414 59.4435 40.7153 174.1173 89 L 5.4439 9.2532 129.5479 53.1658 44.0653 175.0074 90 Y 5.9570 9.3216 122.3597 54.1842 41.6133 175.0878 91 S 4.2272 8.1098 116.3097 56.0598 65.4662 175.0349 92 S 3.7052 7.9452 115.4407 60.5572 62.5234 174.9036 93 D 4.5812 7.2877 118.5724 52.2434 39.4529 175.8738 94 W 3.7898 6.8514 117.0756 58.3944 27.3122 174.7969 95 L 4.4484 7.7551 117.1581 54.5619 42.2682 176.3874 96 I 5.3483 8.3930 121.8213 60.0539 40.5316 174.1109 97 Y 5.2809 9.6849 124.6162 55.9523 42.1334 174.6342 98 K 5.3662 9.3789 119.5977 55.7010 36.6691 174.9595 99 T 4.9705 9.0971 115.0604 60.5067 70.9226 174.0276 100 T 5.0194 8.7080 115.4462 60.2232 69.6450 173.3685 101 D 4.7472 7.3756 121.0441 53.8963 40.0039 174.9194 102 H 3.5254 8.4424 111.3571 58.5522 26.4163 175.4433 103 Y 3.2107 7.4247 111.4015 58.8233 35.7707 171.4666 104 Q 4.1619 7.8674 121.3636 58.3443 29.0097 176.5545 105 T 4.6336 8.7546 106.0569 59.5971 71.8968 172.8763 106 F 5.2903 8.5202 120.0043 56.1373 42.8780 174.3707 107 T 4.7127 8.8235 118.8037 61.4295 71.6133 173.2486 108 K 3.6110 8.5349 128.2196 55.8212 32.5937 176.3662 109 I 4.4858 8.6460 119.2547 60.4115 38.7146 175.7141 110 R 4.1839 7.6090 125.2327 56.7979 31.0585 174.6529 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 *3 V 8.05 4.04 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.98 4.12 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.94 0.00 0.00 5 N 8.37 5.03 0.00 2.77 2.84 0.00 0.00 5.85 7.22 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 6 T 7.73 4.63 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 1.20 0.00 0.00 7 F 8.34 4.21 0.00 3.19 3.16 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 8 D 8.33 4.57 0.00 2.76 2.77 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 9 G 8.18 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 10 V 7.93 3.69 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 0.89 0.00 0.00 1.07 0.00 0.00 11 A 8.21 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 12 D 8.26 4.31 0.00 2.77 2.71 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 13 Y 8.25 3.93 0.00 3.24 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 14 A 8.48 4.18 1.31 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 0.00 0.00 15 Q 7.65 3.65 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 16 T 6.78 3.73 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 0.39 0.00 0.00 17 Y 7.15 4.24 0.00 2.57 2.69 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 18 H 7.38 2.58 0.00 3.14 3.27 0.00 5.89 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.16 4.46 0.00 1.61 1.61 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.22 0.89 7.81 20 L 8.40 4.46 0.00 1.61 1.42 0.70 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.89 0.00 2.21 1.34 0.00 3.56 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.53 0.00 22 D 8.40 4.51 0.00 2.65 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 23 N 8.03 4.57 0.00 2.79 2.88 0.00 0.00 6.17 7.57 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 24 Y 7.30 5.08 0.00 3.11 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 25 I 8.51 4.96 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.17 0.89 0.00 0.00 26 T 9.31 4.60 4.49 0.00 0.00 0.00 0.00 0.00 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 27 K 9.28 3.96 0.00 2.05 2.16 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.87 1.54 7.81 28 S 8.10 4.23 0.00 3.92 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 29 E 7.96 4.03 0.00 2.10 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 2.38 2.36 0.00 30 A 8.18 4.15 1.19 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 31 Q 8.80 4.17 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.99 0.00 32 A 8.04 4.22 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 33 L 7.62 4.49 0.00 1.86 1.76 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.83 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 35 W 8.14 4.45 0.00 3.19 3.23 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 36 V 8.84 3.80 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 0.91 0.00 0.00 0.91 0.00 0.00 37 A 7.32 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.82 4.50 0.00 3.85 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 39 K 8.01 4.31 0.00 1.77 1.77 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.31 7.81 40 G 7.73 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.01 4.95 0.00 2.94 3.01 0.00 0.00 5.72 6.67 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 42 L 8.46 3.93 0.00 1.43 1.74 0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.23 4.10 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 44 D 7.93 4.34 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 4.07 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 0.90 0.00 0.00 1.06 0.00 0.00 46 A 8.25 4.61 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 47 P 0.00 4.55 0.00 2.03 2.01 0.00 3.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 48 G 8.96 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 49 K 7.54 4.66 0.00 1.67 1.60 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 50 S 8.32 4.56 0.00 2.90 3.50 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 51 I 7.94 4.29 1.87 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.39 0.85 0.00 0.00 52 G 9.31 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 0.00 0.00 0.00 0.00 53 G 9.69 4.41 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 0.00 54 D 7.93 4.76 0.00 2.70 2.65 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 55 I 8.32 4.33 1.88 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 1.22 0.47 0.91 0.00 0.00 56 F 8.94 4.83 0.00 2.96 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 57 S 8.11 3.99 0.00 3.85 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 58 N 7.06 3.95 0.00 2.94 2.86 0.00 0.00 7.34 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 *59 R 7.95 3.93 0.00 1.87 1.84 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 60 E 8.22 4.19 0.00 2.03 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 2.37 2.27 0.00 61 G 7.57 4.63 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 62 K 7.51 4.12 0.00 1.76 2.04 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.51 7.81 63 L 7.28 3.98 0.00 0.61 0.13 -0.65 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.29 0.00 2.34 2.15 0.00 3.21 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 65 G 8.41 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 66 K 8.58 4.35 0.00 1.80 1.63 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.20 7.81 *67 S 8.74 4.07 0.00 3.67 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 68 G 8.81 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 69 R 8.03 4.34 0.00 1.60 1.87 0.00 3.21 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.92 0.00 70 T 8.85 4.68 4.06 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 0.00 0.00 1.14 0.00 0.00 71 W 8.54 5.02 0.00 3.45 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 72 R 9.00 5.14 0.00 0.67 1.28 0.00 3.05 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 73 E 8.92 5.44 0.00 2.15 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 2.45 2.36 0.00 74 A 8.80 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.19 4.98 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 4.37 1.32 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 1.35 1.01 -0.03 0.00 0.00 77 N 8.91 4.21 0.00 2.76 2.89 0.00 0.00 6.90 7.32 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 78 Y 7.35 4.42 0.00 2.83 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 79 T 7.43 4.13 4.05 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 1.08 0.00 0.00 80 S 6.96 4.12 0.00 3.85 3.68 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 81 G 8.51 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 82 F 8.55 4.60 0.00 3.16 3.06 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 0.00 0.00 0.00 83 R 8.80 4.22 0.00 2.00 1.96 0.00 3.36 0.00 0.00 3.57 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 84 N 8.59 4.90 0.00 2.85 2.98 0.00 0.00 5.97 7.64 0.00 0.00 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 S 8.54 4.32 0.00 3.71 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 86 D 8.35 5.53 0.00 2.80 2.69 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 87 R 9.28 4.98 0.00 1.66 1.83 0.00 3.49 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.00 88 I 8.89 5.07 2.08 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.92 1.11 0.00 0.00 89 L 9.25 5.44 0.00 1.59 1.42 0.37 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.32 5.96 0.00 3.18 3.19 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 91 S 8.11 4.23 0.00 2.91 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 S 7.95 3.71 0.00 3.72 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 93 D 7.29 4.58 0.00 2.74 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 94 W 6.85 3.79 0.00 3.51 3.41 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 95 L 7.76 4.45 0.00 1.74 1.99 1.18 0.60 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 96 I 8.39 5.35 1.98 0.00 0.00 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 1.68 1.24 1.11 0.00 0.00 97 Y 9.68 5.28 0.00 2.85 2.87 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 98 K 9.38 5.37 0.00 1.39 1.69 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.06 1.06 7.81 99 T 9.10 4.97 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 100 T 8.71 5.02 4.32 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 1.27 0.00 0.00 101 D 7.38 4.75 0.00 2.82 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 0.00 102 H 8.44 3.53 0.00 3.30 3.47 0.00 5.97 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.42 3.21 0.00 3.21 3.25 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 0.00 104 Q 7.87 4.16 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 105 T 8.75 4.63 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 1.17 0.00 0.00 106 F 8.52 5.29 0.00 2.90 3.02 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 0.00 107 T 8.82 4.71 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 1.15 0.00 0.00 108 K 8.53 3.61 0.00 1.06 1.43 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 0.87 7.81 109 I 8.65 4.49 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.84 0.00 0.00 110 R 7.61 4.18 0.00 1.81 1.83 0.00 3.41 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.