NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7406 8.4093 117.7931 52.3957 39.1005 174.0168 4 T 4.4223 8.3719 114.1339 58.3945 70.5326 173.0373 5 T 4.5539 8.9424 113.9331 60.2738 72.6026 176.3733 6 Y 3.8499 8.5509 121.7109 61.0386 38.7452 178.4659 7 V 3.7085 7.9526 118.3568 66.0950 31.7051 177.6129 8 Q 4.0989 8.1529 117.7405 59.3298 28.5574 179.0157 9 E 4.0928 8.2876 119.3995 59.2745 29.3823 178.6044 10 Y 3.6670 8.0089 119.8698 61.1806 38.8549 178.2438 11 H 4.2146 8.4247 116.6465 58.5145 28.6051 177.6831 12 A 4.0225 7.9560 122.7580 55.3237 18.1809 179.8290 13 I 3.3749 7.5215 118.4361 64.2134 36.9976 178.7544 14 V 3.2667 7.5854 119.5435 65.7727 31.0086 177.4878 15 E 3.8593 7.8501 118.0826 59.3116 29.5639 178.8771 16 V 3.6559 7.4221 117.9205 66.1496 31.6556 178.1611 17 L 3.7762 7.9937 118.9069 57.4565 41.2388 179.4139 18 S 4.0855 8.3858 113.8352 61.1111 62.1476 176.3514 19 K 3.9556 7.8593 121.4152 59.3257 31.7760 178.5123 20 Y 4.1648 7.9353 119.2849 60.9907 38.8274 177.7891 21 N 4.2162 8.4055 117.3400 56.2597 38.5809 177.1077 22 E 4.0091 8.5507 121.0407 59.1042 29.6912 178.8573 23 G 3.7668 8.3786 106.3029 47.8351 0.0000 175.7827 24 G 3.5304 7.8616 108.2077 47.3841 0.0000 175.7175 25 K 4.0221 8.0579 122.6751 58.9189 32.0733 178.4239 26 K 4.1138 8.2737 115.9092 55.8917 33.1679 176.3542 27 A 3.7395 7.7911 121.7355 53.0607 16.4611 178.1476 28 D 4.7020 8.5018 120.8853 52.3762 43.3697 175.9021 29 S 4.0732 9.1847 123.2160 61.2222 63.2819 176.0585 30 T 3.7979 7.7667 117.5970 66.6888 68.1826 175.5793 31 I 3.8284 7.2219 118.1247 62.3936 36.8761 176.6944 *33 R 4.1393 8.0599 122.3040 55.9043 31.2254 175.8542 34 P 4.3351 0.0000 0.0000 65.1174 31.5102 177.3173 35 A 4.0864 8.1440 120.1551 53.3569 18.6864 176.5979 36 F 5.3140 7.9577 114.6847 55.1488 41.6635 175.5948 37 S 4.3771 8.9450 120.1281 57.9788 62.8138 175.2905 38 S 4.3442 8.7790 120.8206 61.3181 62.6478 175.0712 39 Q 4.2938 7.9964 117.0519 55.8069 28.7116 175.5667 40 A 5.1075 8.5825 121.9598 51.7532 19.8071 176.9294 41 T 4.6470 8.4524 109.4615 59.7824 72.7535 172.6784 42 I 5.0256 8.1492 122.6052 59.4168 41.3079 174.0478 43 F 5.4638 9.0893 126.9049 56.4183 43.7592 174.4160 44 G 3.5353 8.9080 107.5252 45.1864 0.0000 171.0996 45 V 4.8475 8.0457 118.8583 60.9074 34.1317 176.0906 46 D 4.8458 8.7318 126.9356 51.8270 41.2604 177.4101 47 V 3.7271 8.2509 117.6565 64.7704 31.3285 176.5810 48 D 4.5573 8.2357 117.8672 54.1051 40.7877 175.8832 49 N 4.3439 8.3453 115.8558 54.1403 36.5883 174.2235 50 K 4.4932 8.2016 117.4424 54.3807 33.8706 176.0656 51 L 4.4234 8.2248 123.6357 55.4568 42.7695 176.3570 52 T 4.7252 9.7755 119.9822 60.1766 71.0345 172.3130 53 G 3.8580 9.4902 115.1193 45.3762 0.0000 168.8892 54 G 3.6799 7.2350 116.0031 43.5243 0.0000 174.9744 55 P 4.4720 0.0000 0.0000 61.7765 32.2931 177.2091 56 I 3.1559 7.5837 118.8119 63.6905 37.5841 178.0013 57 Q 3.7871 7.8096 120.3863 59.0184 28.7754 178.3786 58 G 3.4994 7.7523 106.7113 47.5703 0.0000 175.3875 59 L 3.6338 7.3500 122.3725 57.9267 42.1312 179.0304 60 F 4.3870 7.3608 117.1653 60.6986 38.8117 177.2601 61 D 4.3272 8.3283 118.6873 57.3342 40.5758 178.8396 62 V 3.5093 7.4635 118.3872 66.1809 29.9423 178.0940 63 I 3.0906 7.7486 119.6695 64.2414 36.6587 178.0246 64 D 4.6857 7.9911 118.4283 56.3653 40.9715 177.7418 65 N 4.7062 8.5040 115.8183 53.8505 39.5601 175.9848 66 V 4.1924 7.8342 118.5832 64.1155 33.0592 176.2784 67 F 4.6288 7.5913 114.9743 57.5775 39.5186 174.1719 68 H 5.1702 8.0445 118.8367 53.1034 31.5071 172.5198 69 P 4.4189 0.0000 0.0000 63.6882 31.9101 176.9089 70 S 4.7681 9.4410 119.1940 55.7750 62.6048 173.0046 71 P 4.2022 0.0000 0.0000 65.1980 31.5884 178.1090 72 E 4.2545 8.0574 115.9156 56.3933 29.8583 176.2230 73 A 4.5535 7.7985 122.0853 51.5703 19.2942 177.4492 74 K 4.6381 8.9387 120.1352 54.5785 35.7023 175.2924 75 A 5.3421 8.8627 126.1081 50.0497 22.0183 175.2934 76 A 4.5805 9.1049 122.1875 50.2331 21.9087 175.9004 77 I 4.5224 8.6003 124.1611 60.6069 35.9588 175.6671 78 A 4.2455 8.8456 129.9168 54.7557 19.1725 177.9045 79 R 4.6301 7.6697 113.3673 55.5148 33.8138 173.9977 80 I 4.9691 8.5719 126.1556 59.8099 40.4338 174.1994 81 D 5.1474 9.0228 127.7599 52.0452 42.9006 175.7831 82 I 4.8890 8.5910 123.3422 59.5174 40.6909 175.2991 83 V 4.3227 8.9693 126.9247 61.5975 34.2538 176.6897 84 G 3.9245 8.6134 120.0785 47.2975 0.0000 173.5801 85 T 4.0653 8.8338 116.4291 61.3072 69.4690 173.4021 86 A 5.6153 8.1742 124.3348 50.7529 22.4366 175.2175 87 A 5.0487 8.8830 120.2394 50.8230 23.3424 175.3237 88 S 5.2380 9.1071 114.2129 56.4965 65.8865 172.8224 89 A 5.3388 9.3210 127.5649 50.1468 22.9862 174.4835 90 R 5.1515 9.1601 120.2455 54.6133 33.3748 174.5712 91 I 5.2479 8.9008 126.2650 59.7139 41.2249 173.8819 92 D 5.5527 9.0842 126.4547 52.9248 43.7442 175.5069 93 T 5.1992 9.0233 118.7214 62.0554 72.7120 172.5923 94 D 5.0412 9.1352 126.0395 52.9116 44.0934 176.1406 95 D 4.1412 8.4485 119.1873 55.7177 38.2591 173.9507 96 I 4.1956 7.9100 120.1062 59.8244 38.7496 175.0388 97 S 3.4841 9.8481 125.9302 59.2088 61.0648 172.9300 98 G 3.6072 8.2595 104.6385 44.9554 0.0000 173.1853 99 F 4.9249 7.8500 117.9041 55.2635 43.0702 174.0980 100 R 4.9552 8.1261 119.9286 54.6802 33.0055 174.1596 101 F 5.7260 9.2527 123.8554 56.0899 43.7841 173.9374 102 T 5.0938 9.0113 117.0076 62.0216 71.7043 172.7304 103 D 5.2970 9.2722 126.3845 52.4259 44.0195 175.1234 104 F 5.4089 8.9003 121.5576 55.7606 41.8893 174.3958 105 F 5.2845 9.5800 122.4081 55.7574 42.0900 174.0210 106 N 5.4134 9.2222 120.7076 51.7061 40.7025 173.9626 107 L 5.4605 9.1768 123.5346 52.9738 45.8601 175.5856 108 L 5.3557 9.0034 121.0043 52.9918 46.0264 176.0759 109 K 3.7802 8.3815 124.4738 54.9133 31.9454 175.4056 110 V 3.9848 8.4717 128.0098 61.8529 32.6975 175.9242 111 E 3.8859 9.7403 128.6415 57.5667 26.8566 175.7945 112 G 3.8702 8.2274 103.4944 45.2801 0.0000 173.3383 113 K 4.6118 7.6368 118.8270 54.0221 36.1225 175.7169 114 W 4.7131 8.8122 124.4094 56.8761 30.0964 175.6757 115 T 4.6719 9.0007 118.0979 60.2161 70.9332 172.8457 116 V 4.2562 8.7998 129.3348 63.3230 32.2938 176.5120 117 V 4.3947 9.0662 120.7090 61.7575 33.8925 175.5964 118 S 5.0898 7.8909 114.9409 56.9822 66.0245 172.6762 119 K 4.9200 9.1704 128.2959 54.4682 35.2573 174.6800 120 I 5.8182 8.8497 119.4082 58.4999 41.3592 173.5180 121 Y 5.3265 7.8727 119.2264 55.9992 41.2181 173.3283 122 H 4.9603 9.6845 120.8453 54.7976 32.9399 172.4673 123 T 5.0060 8.3990 122.1161 62.7992 69.4064 174.4392 124 H 4.6995 9.0489 124.7634 54.1359 30.1910 173.9837 125 P 4.4185 0.0000 0.0000 63.2267 31.2339 176.2696 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 N 8.41 4.74 0.00 2.76 2.70 0.00 0.00 6.70 6.83 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 4 T 8.37 4.42 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 1.25 0.00 0.00 5 T 8.94 4.55 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 1.26 0.00 0.00 6 Y 8.55 3.85 0.00 3.15 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 7 V 7.95 3.71 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 1.15 0.00 0.00 0.97 0.00 0.00 8 Q 8.15 4.10 0.00 2.39 2.21 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 2.44 2.47 0.00 9 E 8.29 4.09 0.00 1.84 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 0.00 2.61 2.60 0.00 10 Y 8.01 3.67 0.00 2.83 2.98 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 11 H 8.42 4.21 0.00 3.29 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.96 4.02 1.57 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 13 I 7.52 3.37 1.36 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.45 0.00 0.00 14 V 7.59 3.27 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 0.97 0.00 0.00 0.23 0.00 0.00 15 E 7.85 3.86 0.00 1.99 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 0.00 2.31 2.31 0.00 16 V 7.42 3.66 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 0.83 0.00 0.00 1.06 0.00 0.00 17 L 7.99 3.78 0.00 1.46 1.44 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.39 4.09 0.00 3.92 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 19 K 7.86 3.96 0.00 1.93 2.06 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 20 Y 7.94 4.16 0.00 2.97 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 21 N 8.41 4.22 0.00 2.92 2.87 0.00 0.00 6.76 7.19 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 22 E 8.55 4.01 0.00 2.10 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 2.29 2.32 0.00 23 G 8.38 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 0.00 0.00 0.00 24 G 7.86 3.53 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 25 K 8.06 4.02 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.74 7.81 26 K 8.27 4.11 0.00 1.85 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.57 7.81 27 A 7.79 3.74 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.70 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.18 4.07 0.00 3.73 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 30 T 7.77 3.80 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 1.15 0.00 0.00 31 I 7.22 3.83 1.94 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 1.16 0.54 0.92 0.00 0.00 *33 R 8.06 4.14 0.00 1.30 1.74 0.00 3.06 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 34 P 0.00 4.34 0.00 2.09 2.12 0.00 3.92 0.00 0.00 3.70 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 35 A 8.14 4.09 1.04 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 0.00 0.00 36 F 7.96 5.31 0.00 3.27 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 37 S 8.95 4.38 0.00 3.92 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 38 S 8.78 4.34 0.00 4.05 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 0.00 39 Q 8.00 4.29 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 40 A 8.58 5.11 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 41 T 8.45 4.65 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 1.23 0.00 0.00 42 I 8.15 5.03 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.66 0.00 0.00 43 F 9.09 5.46 0.00 2.95 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 44 G 8.91 3.54 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 0.00 0.00 0.00 45 V 8.05 4.85 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 0.92 0.00 0.00 0.87 0.00 0.00 46 D 8.73 4.85 0.00 2.96 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 47 V 8.25 3.73 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.24 4.56 0.00 2.85 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 49 N 8.35 4.34 0.00 2.85 2.93 0.00 0.00 6.86 7.17 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 50 K 8.20 4.49 0.00 2.12 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.35 7.81 51 L 8.22 4.42 0.00 1.48 1.52 0.67 0.38 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 52 T 9.78 4.73 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 1.33 0.00 0.00 53 G 9.49 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 0.00 0.00 0.00 54 G 7.24 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 0.00 0.00 0.00 55 P 0.00 4.47 0.00 2.09 2.08 0.00 3.54 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 1.92 1.86 0.00 56 I 7.58 3.16 1.65 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 0.22 -0.36 0.56 0.00 0.00 57 Q 7.81 3.79 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 58 G 7.75 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 0.00 0.00 0.00 59 L 7.35 3.63 0.00 1.36 1.24 0.63 0.72 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 60 F 7.36 4.39 0.00 3.13 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 61 D 8.33 4.33 0.00 2.77 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 62 V 7.46 3.51 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 0.76 0.00 0.00 0.88 0.00 0.00 63 I 7.75 3.09 1.91 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.83 0.00 0.00 64 D 7.99 4.69 0.00 2.72 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 65 N 8.50 4.71 0.00 2.74 2.87 0.00 0.00 6.84 7.54 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 66 V 7.83 4.19 2.42 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 1.05 0.00 0.00 0.99 0.00 0.00 67 F 7.59 4.63 0.00 3.12 2.97 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 68 H 8.04 5.17 0.00 3.03 3.18 0.00 5.68 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 69 P 0.00 4.42 0.00 1.96 2.03 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 70 S 9.44 4.77 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 71 P 0.00 4.20 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 E 8.06 4.25 0.00 1.97 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 0.00 2.27 2.23 0.00 73 A 7.80 4.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 4.64 0.00 1.81 1.70 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.23 7.81 75 A 8.86 5.34 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 76 A 9.10 4.58 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 77 I 8.60 4.52 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.84 0.00 0.00 78 A 8.85 4.25 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 79 R 7.67 4.63 0.00 1.95 1.84 0.00 3.43 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 80 I 8.57 4.97 1.97 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.64 0.00 0.00 81 D 9.02 5.15 0.00 2.86 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 82 I 8.59 4.89 1.42 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.27 0.82 0.00 0.00 83 V 8.97 4.32 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 1.04 0.00 0.00 1.02 0.00 0.00 84 G 8.61 3.92 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 0.00 0.00 0.00 85 T 8.83 4.07 4.10 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 1.12 0.00 0.00 86 A 8.17 5.62 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 87 A 8.88 5.05 0.79 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 0.00 0.00 88 S 9.11 5.24 0.00 3.92 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 89 A 9.32 5.34 1.16 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 90 R 9.16 5.15 0.00 2.13 1.87 0.00 3.25 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.19 0.00 91 I 8.90 5.25 2.17 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 1.16 0.00 0.00 92 D 9.08 5.55 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.02 5.20 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 1.35 0.00 0.00 94 D 9.14 5.04 0.00 2.58 2.54 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 95 D 8.45 4.14 0.00 2.86 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 96 I 7.91 4.20 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 1.33 1.80 1.25 0.00 0.00 97 S 9.85 3.48 0.00 3.44 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 98 G 8.26 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 99 F 7.85 4.92 0.00 2.76 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 0.00 0.00 0.00 100 R 8.13 4.96 0.00 1.78 1.67 0.00 3.06 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.78 0.00 101 F 9.25 5.73 0.00 3.10 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 0.00 102 T 9.01 5.09 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 0.81 0.00 0.00 103 D 9.27 5.30 0.00 2.70 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 0.00 0.00 0.00 104 F 8.90 5.41 0.00 2.91 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 0.00 105 F 9.58 5.28 0.00 2.95 2.89 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 0.00 106 N 9.22 5.41 0.00 2.70 2.80 0.00 0.00 6.57 7.60 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 0.00 107 L 9.18 5.46 0.00 1.71 1.87 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.00 5.36 0.00 1.57 1.47 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.38 3.78 0.00 0.79 0.94 0.00 1.12 0.00 0.00 1.21 0.00 0.00 2.53 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.75 0.21 7.81 110 V 8.47 3.98 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 0.89 0.00 0.00 0.87 0.00 0.00 111 E 9.74 3.89 0.00 2.05 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 0.00 2.18 2.23 0.00 112 G 8.23 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 0.00 0.00 0.00 113 K 7.64 4.61 0.00 1.72 1.64 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.26 7.81 114 W 8.81 4.71 0.00 3.13 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 0.00 115 T 9.00 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 1.29 0.00 0.00 116 V 8.80 4.26 1.74 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 1.25 0.00 0.00 0.61 0.00 0.00 117 V 9.07 4.39 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 0.81 0.00 0.00 1.05 0.00 0.00 118 S 7.89 5.09 0.00 3.94 3.72 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 0.00 119 K 9.17 4.92 0.00 1.71 1.54 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 0.21 7.81 120 I 8.85 5.82 1.91 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 1.00 0.95 0.98 0.00 0.00 121 Y 7.87 5.33 0.00 2.95 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 0.00 122 H 9.68 4.96 0.00 3.23 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.40 5.01 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 1.11 0.00 0.00 124 H 9.05 4.70 0.00 3.09 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.42 0.00 2.20 2.06 0.00 3.90 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 2.03 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.