NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4847 0.0000 0.0000 62.3828 32.8724 176.5640 6 T 4.0674 9.4422 113.7535 60.8718 70.9447 174.4931 7 I 3.7156 8.3295 122.0305 64.4089 37.4313 179.3288 8 N 4.3282 8.1310 117.5014 56.8241 38.8100 176.7709 9 Q 3.9825 8.2800 119.6180 59.0366 28.8467 178.7946 10 L 4.1733 8.2502 120.3899 57.6585 41.3576 179.7710 11 V 3.6539 7.9907 118.1522 65.8592 31.5126 178.0909 12 R 4.1097 8.1097 117.5066 58.4308 30.0235 177.6096 13 K 4.2749 8.4054 115.9641 55.2587 34.5909 176.8050 14 G 3.9805 7.8936 108.7003 44.2837 0.0000 173.3466 15 R 4.1131 8.2197 117.5685 55.6469 30.8029 176.0331 16 E 4.4863 8.3325 120.9371 53.9971 30.6107 175.9117 17 K 4.0417 8.5479 126.7185 56.3327 32.5410 177.0401 18 V 3.7891 8.2146 124.2694 62.5779 32.1874 175.8656 19 R 4.3658 8.3116 125.5519 55.4439 31.2047 175.6036 20 K 4.5135 8.3319 118.5229 54.5959 34.0990 176.0608 21 K 4.4300 8.4016 123.2685 54.2991 33.2126 176.3973 22 S 4.1651 8.6201 118.9441 58.7281 62.7347 173.9070 23 K 4.3461 8.4403 124.1065 56.4989 33.3217 176.6875 24 V 4.2878 7.5354 117.7937 60.8114 31.9018 175.0161 25 P 4.5242 0.0000 0.0000 62.6367 29.7834 177.2133 26 A 3.9821 7.6936 115.9710 51.3872 19.2789 177.8608 27 L 3.0071 8.1407 119.3118 57.5807 42.6888 173.7445 28 K 3.6463 9.2711 116.0973 56.5166 31.1283 174.4903 29 G 3.8337 8.0668 104.2364 46.7271 0.0000 173.5089 30 A 4.4017 7.5150 121.4856 50.4354 20.1427 176.4556 31 P 4.1822 0.0000 0.0000 64.8600 31.7141 177.0931 32 F 5.2072 7.6267 114.0005 55.8887 43.2972 174.0532 33 R 4.7440 8.8864 121.1354 54.6258 33.4496 174.1241 34 R 4.9990 8.6577 125.3979 55.7222 32.4329 175.2798 35 G 4.3273 8.9178 111.1178 45.5288 0.0000 171.2196 36 V 5.0586 8.6017 118.2873 61.1476 35.0390 175.3261 37 C 4.7288 8.6293 123.9999 61.8030 28.9352 173.3781 38 T 4.3784 8.7750 115.4103 64.2408 70.0757 176.4075 39 V 3.9441 8.8347 127.1065 63.1139 34.3146 176.0638 40 V 4.4166 7.7384 121.8599 61.2798 30.4249 174.7696 41 R 4.3566 8.0172 121.4381 56.9027 31.2174 174.7795 42 T 5.0208 8.3054 112.2580 62.4447 72.9400 173.6152 43 V 4.6777 8.8628 123.9410 61.2233 35.5336 174.3952 44 T 4.7070 8.4553 115.9247 60.6602 70.0059 173.3329 45 P 4.6539 0.0000 0.0000 62.3672 32.6217 174.6830 46 K 4.6510 7.9527 118.4800 57.9221 35.5984 178.2930 47 K 3.7338 8.7266 117.9243 57.0177 32.3823 173.3166 48 P 4.8445 0.0000 0.0000 63.1313 32.0368 174.6319 49 N 4.9143 8.0856 116.4759 52.5767 40.8391 174.3430 50 S 4.3723 7.5145 111.8937 57.4702 65.0705 173.2315 51 A 4.2770 7.7787 129.5222 52.4236 20.9746 175.9800 52 L 4.6707 8.2026 120.0984 53.2056 41.5394 176.1028 53 R 4.2729 8.6418 122.1677 55.6599 31.9944 175.6656 54 K 4.4046 8.5464 123.0683 56.1352 33.3025 176.1091 55 V 4.8523 7.5877 124.0744 61.6379 35.1082 174.0065 56 A 4.5535 8.0866 119.4102 50.9861 23.1414 175.9806 57 K 4.6399 8.4569 122.5570 55.8434 33.9100 176.2739 58 V 4.9181 9.0617 124.5695 61.0476 34.9494 174.1671 59 R 4.6772 9.3124 129.3053 55.6462 30.5604 175.6927 60 L 4.9619 10.2552 127.2610 54.0027 43.3897 178.5578 61 T 3.7396 8.9799 111.5955 64.4062 68.9479 175.7054 62 S 4.6513 8.1685 116.0919 58.2221 63.2346 173.8439 63 G 4.0639 7.7745 106.6307 47.9832 0.0000 173.5673 64 Y 4.6731 7.5738 114.4372 55.7207 42.1245 175.6175 65 E 5.0412 8.8970 121.8798 54.9650 31.4958 175.5891 66 V 4.7467 8.7179 117.5840 59.6111 36.7714 174.7331 67 T 4.8709 8.5936 112.7268 61.0580 70.0178 173.8538 68 A 5.1255 9.2221 127.3678 49.9607 22.3668 174.7821 69 Y 4.1063 9.2607 123.6703 57.8824 40.3260 174.8656 70 I 4.5179 6.9305 126.9811 58.5236 37.2724 173.7690 71 P 4.5341 0.0000 0.0000 62.9203 32.3264 176.4292 72 G 4.1603 9.1984 105.9278 44.3963 0.0000 173.7908 73 E 4.0295 8.6722 118.6981 58.7339 29.5697 177.8372 74 G 4.2879 7.5531 104.5602 44.4326 0.0000 170.8860 75 H 5.1023 8.2688 113.9998 54.2418 31.2294 172.9939 76 N 4.9664 8.4979 115.5361 52.6968 37.3564 173.8602 77 L 4.5204 8.3737 119.3226 55.0349 43.2866 176.4787 78 Q 4.6139 8.9815 127.6855 55.8846 28.9969 176.1846 79 E 4.3698 8.9111 121.0747 60.0147 30.1556 177.7651 80 H 4.9023 7.8911 113.1631 55.9246 29.4672 174.9944 81 S 4.5936 7.9757 116.8196 58.3910 63.8009 173.8679 82 V 4.2682 9.9711 127.1427 62.8433 32.6156 175.0538 83 V 4.7950 9.1551 126.4836 61.3763 36.1696 173.2061 84 L 5.1585 8.3945 124.6746 53.2973 44.5669 175.1955 85 I 4.8573 9.2747 128.3369 60.8298 38.5715 176.5182 86 R 4.6635 9.1099 120.9961 54.9095 30.7590 171.7534 87 G 3.7417 8.6388 117.3888 44.7992 0.0000 173.7053 88 G 4.5661 7.7035 122.1371 45.3188 0.0000 172.5177 89 R 4.0773 8.1845 125.0300 55.7912 31.0049 176.9866 90 V 3.9850 7.9389 120.7124 60.7921 31.1692 176.3335 91 K 3.8254 8.4941 129.5836 58.9440 32.0762 176.8471 92 D 4.5951 7.9688 116.7882 54.6546 41.9070 175.3174 93 L 4.7689 7.5985 119.6451 51.5143 41.6958 173.5987 94 P 4.4017 0.0000 0.0000 64.1851 31.8127 177.2421 95 G 3.9388 9.1004 110.1167 44.9342 0.0000 173.2426 96 V 4.3271 7.7788 120.3181 61.5168 32.3341 175.7533 97 R 4.4911 8.6895 124.1479 55.7298 31.8583 174.3421 98 Y 5.1810 7.7338 115.1731 56.6411 42.5905 173.8713 99 H 5.3390 8.9835 118.5718 54.4044 32.0614 173.5675 100 I 4.6610 8.4287 122.0030 60.3331 38.7407 176.3456 101 V 3.9722 8.7185 127.1524 61.5187 31.7273 175.5305 102 R 4.0181 8.3855 127.4549 57.7931 30.4183 177.5821 103 G 3.9660 8.5473 110.7043 44.8999 0.0000 173.4436 104 V 4.0750 7.3484 119.8971 61.9375 34.2598 174.1439 105 Y 3.8789 8.1351 123.9213 59.4816 36.0319 172.4043 106 D 4.3924 9.1445 126.9062 57.8203 40.9874 176.3397 107 A 4.0187 7.8668 123.0427 51.8166 18.2901 177.0743 108 A 4.2622 8.8307 126.6027 52.0382 19.3585 176.9850 109 G 4.5290 8.1340 106.5306 44.5482 0.0000 173.9350 110 V 3.8921 8.1854 121.8593 62.7313 31.5495 176.2144 111 K 4.1689 8.7354 127.4610 56.8723 33.5790 177.3263 112 D 4.6328 8.6883 120.5068 54.9603 38.3234 173.7260 113 R 4.1311 7.4214 120.1700 55.7782 30.1413 176.2214 114 K 4.5392 8.5944 123.4831 55.9876 35.0428 176.7492 115 K 4.0830 8.1179 117.0362 57.2491 32.3467 178.5692 116 S 4.6204 8.7560 122.7425 58.7979 62.5124 176.1960 117 R 4.0665 8.0390 122.2176 59.3476 30.5856 179.8251 118 S 4.1354 8.2528 111.3535 60.9585 63.1735 174.9491 119 K 4.1600 7.8380 119.7161 56.5444 32.9763 177.6138 120 Y 3.6553 8.1305 116.1403 57.6651 36.5210 169.1996 121 G 4.4186 7.6315 105.0008 46.3286 0.0000 170.6429 122 T 4.6719 8.2690 109.1427 59.6373 71.2793 175.3927 123 K 3.9635 8.7271 125.8419 56.0357 32.7234 176.1131 124 K 4.1865 8.3255 121.7871 55.0671 32.7182 174.9020 125 P 4.4259 0.0000 0.0000 62.5115 31.7498 178.1529 126 K 4.2786 8.6935 123.0623 57.6036 31.7824 176.3147 127 E 3.6229 7.6870 118.2185 56.9363 30.4593 175.5270 128 A 4.3477 8.0095 126.6852 51.3241 22.2303 175.8569 *129 A 4.1172 8.4134 120.2940 52.7659 18.9464 176.7520 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 4.48 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 9.44 4.07 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 1.27 0.00 0.00 7 I 8.33 3.72 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 0.78 0.91 0.00 0.00 8 N 8.13 4.33 0.00 2.83 2.81 0.00 0.00 7.22 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 9 Q 8.28 3.98 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.25 4.17 0.00 1.83 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.99 3.65 2.28 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 0.83 0.00 0.00 0.93 0.00 0.00 12 R 8.11 4.11 0.00 2.09 1.97 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 13 K 8.41 4.27 0.00 1.64 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.33 7.81 14 G 7.89 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 15 R 8.22 4.11 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.33 4.49 0.00 1.90 1.84 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 2.19 2.29 0.00 17 K 8.55 4.04 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 8.21 3.79 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 0.79 0.00 0.00 0.93 0.00 0.00 19 R 8.31 4.37 0.00 1.84 1.84 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 20 K 8.33 4.51 0.00 1.70 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 21 K 8.40 4.43 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 22 S 8.62 4.17 0.00 3.81 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 23 K 8.44 4.35 0.00 1.68 1.71 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.35 7.81 24 V 7.54 4.29 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 0.91 0.00 0.00 0.75 0.00 0.00 25 P 0.00 4.52 0.00 2.18 2.01 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 26 A 7.69 3.98 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 27 L 8.14 3.01 0.00 1.76 1.53 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.27 3.65 0.00 1.86 1.80 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 29 G 8.07 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 0.00 0.00 0.00 30 A 7.52 4.40 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 31 P 0.00 4.18 0.00 1.67 1.76 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 32 F 7.63 5.21 0.00 2.89 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 33 R 8.89 4.74 0.00 1.92 1.70 0.00 3.33 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 34 R 8.66 5.00 0.00 2.08 1.81 0.00 2.70 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 35 G 8.92 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 36 V 8.60 5.06 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 0.95 0.00 0.00 0.90 0.00 0.00 37 C 8.63 4.73 0.00 3.13 2.86 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 38 T 8.77 4.38 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 1.22 0.00 0.00 39 V 8.83 3.94 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 0.98 0.00 0.00 0.94 0.00 0.00 40 V 7.74 4.42 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 0.85 0.00 0.00 0.97 0.00 0.00 41 R 8.02 4.36 0.00 1.95 1.86 0.00 3.22 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 42 T 8.31 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 1.29 0.00 0.00 43 V 8.86 4.68 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 1.03 0.00 0.00 0.97 0.00 0.00 44 T 8.46 4.71 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 4.65 0.00 2.03 2.24 0.00 3.63 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 46 K 7.95 4.65 0.00 1.93 1.84 0.00 1.36 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.36 7.81 47 K 8.73 3.73 0.00 1.84 1.65 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.41 7.81 48 P 0.00 4.84 0.00 2.14 2.08 0.00 3.73 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 1.87 1.94 0.00 49 N 8.09 4.91 0.00 2.70 2.79 0.00 0.00 6.58 8.09 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 50 S 7.51 4.37 0.00 3.79 3.70 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 0.00 0.00 0.00 0.00 51 A 7.78 4.28 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 52 L 8.20 4.67 0.00 1.54 1.64 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.64 4.27 0.00 1.92 2.10 0.00 3.20 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.78 0.00 54 K 8.55 4.40 0.00 1.50 1.57 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 55 V 7.59 4.85 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 0.85 0.00 0.00 1.08 0.00 0.00 56 A 8.09 4.55 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 8.46 4.64 0.00 1.76 1.75 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 58 V 9.06 4.92 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 0.99 0.00 0.00 1.00 0.00 0.00 59 R 9.31 4.68 0.00 1.92 1.80 0.00 3.17 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 60 L 10.26 4.96 0.00 1.92 1.68 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.98 3.74 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 1.24 0.00 0.00 62 S 8.17 4.65 0.00 4.10 4.01 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 63 G 7.77 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 0.00 0.00 0.00 0.00 64 Y 7.57 4.67 0.00 2.86 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 65 E 8.90 5.04 0.00 1.79 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 2.18 2.35 0.00 66 V 8.72 4.75 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 0.83 0.00 0.00 0.64 0.00 0.00 67 T 8.59 4.87 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 9.22 5.13 1.28 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 0.00 0.00 0.00 69 Y 9.26 4.11 0.00 2.94 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 70 I 6.93 4.52 1.52 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.61 0.00 0.00 71 P 0.00 4.53 0.00 2.39 2.45 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 72 G 9.20 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 0.00 0.00 0.00 0.00 73 E 8.67 4.03 0.00 1.93 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 0.00 2.22 2.21 0.00 74 G 7.55 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 0.00 0.00 0.00 0.00 75 H 8.27 5.10 0.00 3.21 3.25 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.50 4.97 0.00 2.79 2.86 0.00 0.00 5.88 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 8.37 4.52 0.00 1.75 1.69 0.86 1.00 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 78 Q 8.98 4.61 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 79 E 8.91 4.37 0.00 1.93 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 2.37 2.60 0.00 80 H 7.89 4.90 0.00 3.14 3.27 0.00 5.77 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.98 4.59 0.00 3.81 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 82 V 9.97 4.27 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 0.95 0.00 0.00 83 V 9.16 4.79 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 1.01 0.00 0.00 0.99 0.00 0.00 84 L 8.39 5.16 0.00 1.45 1.26 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.27 4.86 2.05 0.00 0.00 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 1.34 0.78 1.05 0.00 0.00 86 R 9.11 4.66 0.00 2.09 2.34 0.00 3.30 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 87 G 8.64 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 0.00 0.00 0.00 0.00 88 G 7.70 4.57 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 0.00 0.00 0.00 89 R 8.18 4.08 0.00 1.73 1.88 0.00 3.10 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 90 V 7.94 3.99 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 0.66 0.00 0.00 0.49 0.00 0.00 91 K 8.49 3.83 0.00 1.68 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 92 D 7.97 4.60 0.00 2.77 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 93 L 7.60 4.77 0.00 1.72 1.62 1.05 1.07 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 94 P 0.00 4.40 0.00 2.05 2.01 0.00 3.65 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 2.04 2.10 0.00 95 G 9.10 3.94 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 0.00 0.00 0.00 96 V 7.78 4.33 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 1.17 0.00 0.00 1.02 0.00 0.00 97 R 8.69 4.49 0.00 1.24 1.37 0.00 3.17 0.00 0.00 3.44 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 98 Y 7.73 5.18 0.00 2.94 2.86 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 99 H 8.98 5.34 0.00 3.16 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.43 4.66 1.97 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 1.16 0.67 0.92 0.00 0.00 101 V 8.72 3.97 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 0.78 0.00 0.00 0.96 0.00 0.00 102 R 8.39 4.02 0.00 1.82 2.00 0.00 3.40 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 103 G 8.55 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 0.00 0.00 0.00 104 V 7.35 4.07 1.69 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 -0.26 0.00 0.00 0.61 0.00 0.00 105 Y 8.14 3.88 0.00 3.25 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 0.00 106 D 9.14 4.39 0.00 2.88 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 0.00 107 A 7.87 4.02 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 0.00 108 A 8.83 4.26 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 0.00 109 G 8.13 4.53 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 0.00 110 V 8.19 3.89 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 0.69 0.00 0.00 1.05 0.00 0.00 111 K 8.74 4.17 0.00 1.75 1.70 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.47 7.81 112 D 8.69 4.63 0.00 2.81 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 0.00 113 R 7.42 4.13 0.00 1.98 1.81 0.00 3.24 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 114 K 8.59 4.54 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.56 7.81 115 K 8.12 4.08 0.00 1.72 1.59 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81 116 S 8.76 4.62 0.00 4.15 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 0.00 117 R 8.04 4.07 0.00 1.91 2.19 0.00 3.27 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 118 S 8.25 4.14 0.00 3.98 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 0.00 119 K 7.84 4.16 0.00 1.72 1.31 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.41 7.81 120 Y 8.13 3.66 0.00 3.31 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 0.00 121 G 7.63 4.42 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 0.00 122 T 8.27 4.67 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 1.37 0.00 0.00 123 K 8.73 3.96 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 124 K 8.33 4.19 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.43 0.00 2.21 2.04 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 126 K 8.69 4.28 0.00 1.86 1.95 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 127 E 7.69 3.62 0.00 1.95 1.89 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 2.30 2.37 0.00 128 A 8.01 4.35 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 *129 A 8.41 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.