NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3169 8.2745 112.9222 60.9830 70.0879 173.7822 4 E 4.4710 8.8385 122.6013 55.7339 30.4827 174.1568 5 D 4.8063 8.2659 123.9946 53.5332 39.4291 177.3363 6 F 5.7647 7.9910 124.9636 55.3284 42.7776 173.3828 7 Y 4.3251 7.3348 123.1807 56.6265 42.2185 172.4579 8 L 4.9566 7.6504 127.4511 52.3106 46.2253 174.8858 9 R 4.9924 8.0567 122.5154 55.8536 33.6143 172.6164 10 Y 5.3641 8.5376 123.5178 56.9482 42.9473 172.8740 11 Y 4.8384 7.4501 122.9866 56.7429 43.1881 173.8238 12 V 4.3295 7.6798 126.7449 62.6433 33.9496 172.9515 13 G 4.5372 7.6105 113.6870 46.2280 0.0000 169.8078 14 H 5.1555 8.8628 119.7332 54.1105 32.5843 173.7554 15 K 4.5208 8.6145 127.2415 55.1399 30.6676 176.3644 16 G 4.0565 7.6151 111.5507 44.2052 0.0000 172.1006 17 K 4.0792 8.7440 117.4338 59.0199 32.1941 178.0910 18 F 4.3422 8.5303 115.6235 57.1748 38.8025 173.8292 19 G 3.7466 7.4308 107.6420 44.7845 0.0000 173.2663 20 H 5.2327 8.3087 118.5562 53.4698 28.7396 173.1946 21 E 4.5919 8.4032 126.0574 55.7711 31.2452 174.7394 22 F 4.8555 8.3975 118.9560 56.8658 42.0215 172.6379 23 L 4.5948 8.5018 123.8599 54.5700 45.2584 175.4437 24 E 5.3123 9.8914 125.3870 54.2359 33.7348 171.1074 25 F 5.7233 8.2301 119.6935 54.3625 41.9797 173.7432 26 E 5.2443 9.6383 119.8427 55.0630 33.8286 173.8131 27 F 4.9115 9.4487 126.0345 55.9223 40.6258 175.8689 28 R 4.6800 9.2837 124.1003 54.8738 30.9151 176.1867 29 P 4.4381 0.0000 0.0000 66.0797 31.3425 177.2936 30 D 4.6571 8.1804 113.9496 53.7124 39.6226 176.4754 31 G 3.9878 8.9349 108.9171 46.1277 0.0000 172.4319 32 K 3.7319 7.7347 120.4285 54.6236 33.5808 175.4150 33 L 4.6783 9.3692 131.5362 53.2203 41.9907 174.3933 34 R 4.5493 8.3390 121.0877 55.4452 31.7823 175.2020 35 Y 5.4610 9.3492 122.4369 56.1365 42.5712 173.6367 36 A 4.7347 8.4469 126.2047 49.4029 23.4185 174.6188 37 N 3.8237 7.9026 118.1335 53.2977 42.5951 173.4361 38 N 5.2336 6.9946 128.5482 51.3022 39.7855 170.8666 39 S 5.0273 8.6829 125.1092 56.7275 65.4103 171.4615 40 N 4.8842 8.8453 121.9677 50.3431 38.1538 174.2996 *41 Y 4.0324 8.2227 123.4569 59.2439 37.4784 176.2379 *45 T 4.1757 7.7046 114.5721 63.9064 70.3095 172.8245 46 M 4.6154 8.5606 125.3186 53.8923 34.7609 175.0693 47 I 4.1172 8.0051 129.3234 60.1245 37.7042 175.5763 48 R 4.2351 8.2142 126.0305 55.8602 31.3361 176.3631 49 K 4.4187 8.5197 119.4594 55.7422 37.0798 174.6389 50 E 5.2999 8.3968 120.7066 55.8574 33.2149 174.2659 51 A 4.4662 8.0338 121.0063 51.6627 22.5584 175.5912 52 F 5.4318 9.0531 119.3354 55.6903 39.4675 176.4667 53 V 4.0240 8.3208 117.4500 60.9898 32.5181 176.2076 54 H 4.4054 8.9460 122.4289 55.9282 30.8808 175.9158 55 Q 3.8762 8.2296 125.0441 59.6127 28.8807 179.5519 56 S 4.1370 8.5852 114.5679 61.9317 62.6441 176.5789 57 V 3.5913 8.1620 121.7277 65.9861 31.2494 177.9316 58 M 4.0166 8.1325 118.5158 58.2591 31.7524 178.5655 59 E 3.7445 7.8541 118.2153 59.3724 29.6302 179.1130 60 E 3.9281 8.3164 121.0161 59.8965 29.5213 179.8226 61 L 3.8062 7.7244 122.3091 59.4145 40.7517 181.4075 62 K 3.9852 7.5254 119.2584 59.1656 32.0308 179.1377 63 R 3.8145 8.1437 119.2723 59.8234 29.7999 178.2910 64 I 3.6567 7.8450 119.3942 64.5809 36.8378 178.5424 65 I 3.7444 7.2330 119.0083 64.5331 37.3288 178.3665 66 I 3.8896 8.1449 120.9908 64.2591 36.6493 178.0662 67 D 4.5738 8.0483 119.1717 56.3785 40.8800 177.9683 68 S 4.4183 7.7693 112.6938 57.9767 63.6814 173.7057 69 E 3.8606 7.8123 120.1864 57.5726 27.5901 175.5987 70 I 4.4140 7.5373 115.1221 61.9248 37.7851 175.8763 71 M 4.4786 7.9078 117.6037 56.0571 32.9372 177.0602 72 Q 4.2505 7.8728 117.8203 58.0699 29.4803 176.3986 73 E 4.1372 8.2749 118.8510 57.5687 30.1498 176.1255 74 D 3.7405 7.3322 117.3689 51.4963 43.6720 175.4659 75 D 3.3700 6.8934 121.8415 53.1459 39.9308 178.6238 76 L 3.7925 7.3131 121.0948 57.1252 40.6211 181.3583 77 P 4.5430 0.0000 0.0000 63.8578 32.0248 176.3888 78 W 4.5707 7.3687 118.6627 56.3232 30.1390 174.3192 79 P 4.5374 0.0000 0.0000 61.8786 31.7086 174.7993 80 P 4.9286 0.0000 0.0000 61.4811 32.6429 174.3035 81 P 4.4738 0.0000 0.0000 62.6192 31.9623 175.4990 82 D 5.0026 8.4814 122.6095 51.4285 42.5316 177.4821 83 R 3.9643 8.7304 117.3033 59.7541 29.4067 177.2403 84 V 3.6734 7.3535 109.2672 64.0708 31.9358 175.8004 85 G 4.1701 8.1373 104.5883 46.0290 0.0000 172.0993 86 R 4.7822 8.1309 119.2019 55.8324 33.3687 173.7010 87 Q 5.0046 9.8134 127.5024 54.2639 31.6026 174.7875 88 E 5.4649 9.2669 122.2722 53.5052 34.1182 174.6459 89 L 5.2728 8.7435 126.6827 54.3914 45.9325 175.0603 90 E 5.3485 9.0196 123.2540 53.9544 33.2269 171.2139 91 I 4.8147 8.1901 125.6575 58.6853 41.3646 175.2154 92 V 4.9207 8.4043 124.1682 61.7900 35.1659 173.7772 93 I 5.0066 8.8327 128.3858 60.1732 40.9627 176.4746 94 G 3.9946 10.4873 123.9225 47.5888 0.0000 173.9920 95 D 4.9945 9.0934 119.1117 52.2012 40.6333 176.1095 96 E 4.6848 8.0568 117.4471 55.5690 31.5732 173.6600 97 H 5.6068 8.9118 123.7072 54.1416 32.5957 172.6834 98 I 4.8224 9.4025 118.3796 59.6409 41.6245 174.1814 99 S 4.9791 8.3773 115.2166 57.8242 65.0469 173.7659 100 F 6.1099 9.4968 126.0153 55.5348 42.6693 174.6289 101 T 4.9767 8.4139 115.8772 62.7412 71.9145 173.5017 102 T 5.5606 9.1664 121.9444 63.6106 73.8821 172.4233 103 S 5.0294 8.5674 119.0011 57.0709 65.6173 174.6927 104 K 4.3417 8.4772 124.3259 56.0914 32.5319 177.0584 105 T 4.2195 7.7970 115.7325 64.5818 71.3198 174.3268 *108 L 4.2876 8.6103 122.4088 55.7058 43.4589 176.1359 109 V 3.8451 7.7315 119.7927 66.5541 31.5398 182.8050 110 D 4.5516 7.9816 120.0536 58.5391 39.8469 181.0988 111 V 3.8728 7.5759 118.8567 65.6751 31.3944 177.8045 112 N 4.3677 7.5282 117.5627 56.9847 38.5753 177.9683 113 R 4.1725 8.2227 122.4900 60.0841 29.7134 179.5737 114 S 4.5787 7.0743 115.5013 58.6860 62.9315 180.3504 115 K 3.8809 8.6924 124.5425 58.7812 31.5863 179.5862 116 D 4.9732 7.8671 129.2571 52.6297 41.4009 176.9050 117 P 4.6249 0.0000 0.0000 65.6232 31.4403 178.9453 118 E 4.3226 8.2356 117.8735 60.4634 29.7411 182.9999 119 G 4.1805 7.9174 104.7845 48.0098 0.0000 175.8515 120 L 3.2626 7.4004 122.0890 57.0412 41.3126 179.8386 121 R 3.9931 8.4065 118.5443 59.2553 29.9095 178.7361 122 C 4.1627 7.8651 118.6233 62.3353 31.6366 175.1614 123 F 4.5141 8.2397 122.3590 61.6793 38.7052 176.5770 124 Y 4.0593 8.7078 116.9332 59.3468 37.5258 177.2974 125 Y 4.0086 7.2508 118.9506 60.2099 38.1543 177.4314 126 L 3.8773 8.0365 121.5418 57.8918 42.1423 178.7806 127 V 3.2002 7.4763 118.2624 66.3149 31.1912 178.0660 128 Q 3.6980 7.4908 117.0530 59.0592 28.1415 178.5512 129 D 4.1733 7.6108 119.8661 56.8948 40.6592 178.6675 130 L 3.8524 7.8691 119.7345 56.8656 41.9347 178.8336 131 K 3.1047 8.3744 120.6835 59.6154 32.1652 178.2820 132 C 3.8919 7.8357 118.7869 62.0955 31.2213 175.4460 133 L 3.7972 6.9773 121.6745 58.1508 41.8808 179.0487 134 V 3.4421 7.4847 118.1590 65.7658 31.1111 178.0361 135 F 4.3473 7.7521 117.7334 60.5678 38.3145 177.9505 136 S 4.1197 7.9834 114.3656 61.5444 62.4418 176.3023 137 L 3.7641 8.2171 122.0283 58.0618 41.3034 179.6312 138 I 3.9099 7.8581 119.1368 64.4867 37.0795 178.6989 139 G 3.8539 8.3900 104.6868 46.8458 0.0000 174.1826 140 L 4.5779 7.0427 119.7954 56.1020 43.7634 177.8365 141 H 4.0877 7.7567 117.0747 58.0886 29.7115 175.6385 142 F 4.9069 7.6092 115.4282 56.1437 40.7502 174.9579 143 K 4.0095 8.9424 120.7435 57.3549 29.0424 176.1454 144 I 4.0294 7.5791 114.0388 59.9891 38.7033 177.7126 145 K 4.4791 8.4817 126.5115 51.3683 33.8589 172.3348 146 P 4.6006 0.0000 0.0000 64.4361 32.3113 177.0490 147 I 4.1791 7.9083 116.4600 60.2141 36.5081 175.8687 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 T 8.27 4.32 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 1.21 0.00 0.00 4 E 8.84 4.47 0.00 1.81 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 2.15 1.95 0.00 5 D 8.27 4.81 0.00 2.36 2.61 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 6 F 7.99 5.76 0.00 2.96 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 7 Y 7.33 4.33 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.96 0.00 1.48 1.28 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.06 4.99 0.00 1.51 1.49 0.00 3.27 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 Y 8.54 5.36 0.00 2.70 1.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.45 4.84 0.00 2.95 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 12 V 7.68 4.33 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 0.73 0.00 0.00 0.45 0.00 0.00 13 G 7.61 4.54 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 14 H 8.86 5.16 0.00 3.53 3.20 0.00 5.86 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 15 K 8.61 4.52 0.00 1.76 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.24 1.28 7.81 16 G 7.62 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 17 K 8.74 4.08 0.00 2.02 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.49 7.81 18 F 8.53 4.34 0.00 2.93 3.15 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 19 G 7.43 3.75 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 0.00 0.00 0.00 20 H 8.31 5.23 0.00 3.03 3.26 0.00 5.75 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 21 E 8.40 4.59 0.00 2.19 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 2.55 2.37 0.00 22 F 8.40 4.86 0.00 3.41 3.04 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 23 L 8.50 4.59 0.00 1.82 1.72 1.54 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.89 5.31 0.00 1.63 1.75 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 2.13 1.95 0.00 25 F 8.23 5.72 0.00 3.32 3.75 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 26 E 9.64 5.24 0.00 2.03 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 2.28 2.31 0.00 27 F 9.45 4.91 0.00 2.93 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 28 R 9.28 4.68 0.00 1.99 1.91 0.00 3.15 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 29 P 0.00 4.44 0.00 2.09 2.20 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.27 0.00 30 D 8.18 4.66 0.00 2.99 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 31 G 8.93 3.99 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 0.00 0.00 0.00 32 K 7.73 3.73 0.00 1.63 1.41 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.96 0.21 7.81 33 L 9.37 4.68 0.00 1.20 1.45 -0.16 0.49 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 34 R 8.34 4.55 0.00 1.89 2.01 0.00 2.80 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 35 Y 9.35 5.46 0.00 3.01 2.85 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 0.00 0.00 0.00 36 A 8.45 4.73 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 37 N 7.90 3.82 0.00 2.51 2.14 0.00 0.00 7.05 6.71 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 38 N 6.99 5.23 0.00 2.40 2.68 0.00 0.00 6.84 8.98 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 39 S 8.68 5.03 0.00 3.36 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 40 N 8.85 4.88 0.00 2.68 2.61 0.00 0.00 6.61 7.55 0.00 0.00 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 Y 8.22 4.03 0.00 2.32 2.26 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 *45 T 7.70 4.18 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 1.17 0.00 0.00 46 M 8.56 4.62 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 47 I 8.01 4.12 1.68 0.00 0.00 0.82 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 0.46 0.81 0.00 0.00 48 R 8.21 4.24 0.00 1.61 1.78 0.00 3.38 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 49 K 8.52 4.42 0.00 1.96 1.65 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.48 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.18 1.56 7.81 50 E 8.40 5.30 0.00 1.83 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 2.15 0.00 51 A 8.03 4.47 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.05 5.43 0.00 2.97 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 53 V 8.32 4.02 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 0.67 0.00 0.00 1.22 0.00 0.00 54 H 8.95 4.41 0.00 3.20 3.18 0.00 5.71 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 55 Q 8.23 3.88 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 56 S 8.59 4.14 0.00 4.08 4.17 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 0.00 0.00 0.00 0.00 57 V 8.16 3.59 2.31 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 1.16 0.00 0.00 0.98 0.00 0.00 58 M 8.13 4.02 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 59 E 7.85 3.74 0.00 2.13 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 2.51 2.30 0.00 60 E 8.32 3.93 0.00 2.03 1.90 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 2.27 2.41 0.00 61 L 7.72 3.81 0.00 1.66 1.69 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.53 3.99 0.00 1.75 1.69 0.00 0.84 0.00 0.00 1.16 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.93 0.25 7.81 63 R 8.14 3.81 0.00 1.75 2.01 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 64 I 7.85 3.66 1.92 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 1.44 0.91 0.90 0.00 0.00 65 I 7.23 3.74 2.06 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 0.48 0.95 0.00 0.00 66 I 8.14 3.89 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.91 0.00 0.00 67 D 8.05 4.57 0.00 2.71 2.70 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 68 S 7.77 4.42 0.00 4.01 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 0.00 69 E 7.81 3.86 0.00 2.26 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 0.00 2.28 2.25 0.00 70 I 7.54 4.41 2.03 0.00 0.00 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 1.55 1.17 1.03 0.00 0.00 71 M 7.91 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 72 Q 7.87 4.25 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 73 E 8.27 4.14 0.00 2.30 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 0.00 2.59 2.60 0.00 74 D 7.33 3.74 0.00 2.63 2.36 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 75 D 6.89 3.37 0.00 2.64 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 0.00 0.00 0.00 76 L 7.31 3.79 0.00 1.68 1.66 0.92 0.88 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 77 P 0.00 4.54 0.00 2.26 2.21 0.00 3.34 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 78 W 7.37 4.57 0.00 3.12 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 79 P 0.00 4.54 0.00 2.09 2.00 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 80 P 0.00 4.93 0.00 2.09 2.11 0.00 3.80 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 2.01 2.02 0.00 81 P 0.00 4.47 0.00 2.09 2.14 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 82 D 8.48 5.00 0.00 2.84 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 83 R 8.73 3.96 0.00 1.85 1.94 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.27 0.00 84 V 7.35 3.67 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 0.75 0.00 0.00 0.98 0.00 0.00 85 G 8.14 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.13 4.78 0.00 1.76 1.83 0.00 3.15 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 87 Q 9.81 5.00 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 88 E 9.27 5.46 0.00 1.96 1.90 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 2.34 2.20 0.00 89 L 8.74 5.27 0.00 2.35 1.74 1.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.02 5.35 0.00 1.68 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 2.12 1.97 0.00 91 I 8.19 4.81 1.82 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 1.18 0.79 0.95 0.00 0.00 92 V 8.40 4.92 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 0.96 0.00 0.00 0.86 0.00 0.00 93 I 8.83 5.01 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.98 0.00 0.00 94 G 10.49 3.99 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 0.00 0.00 0.00 95 D 9.09 4.99 0.00 2.68 2.51 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 96 E 8.06 4.68 0.00 2.17 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 0.00 2.30 2.30 0.00 97 H 8.91 5.61 0.00 3.15 3.19 0.00 5.69 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 98 I 9.40 4.82 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 0.95 0.00 0.00 99 S 8.38 4.98 0.00 3.88 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 0.00 100 F 9.50 6.11 0.00 2.79 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 0.00 101 T 8.41 4.98 4.28 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 1.27 0.00 0.00 102 T 9.17 5.56 4.48 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 1.33 0.00 0.00 103 S 8.57 5.03 0.00 4.07 3.91 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 0.00 104 K 8.48 4.34 0.00 1.56 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.04 7.81 105 T 7.80 4.22 4.07 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 1.07 0.00 0.00 *108 L 8.61 4.29 0.00 1.60 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.73 3.85 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 0.75 0.00 0.00 0.93 0.00 0.00 110 D 7.98 4.55 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.87 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 0.93 0.00 0.00 0.73 0.00 0.00 112 N 7.53 4.37 0.00 2.96 2.85 0.00 0.00 6.94 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 0.00 113 R 8.22 4.17 0.00 1.89 1.84 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 114 S 7.07 4.58 0.00 3.61 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 0.00 115 K 8.69 3.88 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.05 7.81 116 D 7.87 4.97 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.22 2.55 0.00 3.68 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 2.07 2.02 0.00 118 E 8.24 4.32 0.00 2.00 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 2.31 1.94 0.00 119 G 7.92 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 0.00 120 L 7.40 3.26 0.00 1.63 1.51 0.73 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.41 3.99 0.00 1.73 1.67 0.00 3.06 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 122 C 7.87 4.16 0.00 3.05 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 0.00 123 F 8.24 4.51 0.00 3.36 3.04 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 0.00 124 Y 8.71 4.06 0.00 3.05 3.26 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 0.00 125 Y 7.25 4.01 0.00 3.00 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 0.00 126 L 8.04 3.88 0.00 1.79 1.77 0.89 0.76 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 0.00 127 V 7.48 3.20 1.81 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 0.54 0.00 0.00 0.32 0.00 0.00 128 Q 7.49 3.70 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 129 D 7.61 4.17 0.00 2.73 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 0.00 130 L 7.87 3.85 0.00 1.67 1.66 0.87 1.00 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 0.00 131 K 8.37 3.10 0.00 1.78 1.34 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.25 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.15 1.42 7.81 132 C 7.84 3.89 0.00 3.10 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 0.00 133 L 6.98 3.80 0.00 1.60 1.60 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.48 3.44 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 0.00 0.00 0.42 0.00 0.00 0.38 0.00 0.00 135 F 7.75 4.35 0.00 3.16 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 0.00 136 S 7.98 4.12 0.00 3.97 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 0.00 137 L 8.22 3.76 0.00 1.80 1.65 1.06 0.78 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 0.00 138 I 7.86 3.91 1.78 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.43 1.21 0.00 0.00 139 G 8.39 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.04 4.58 0.00 1.70 1.64 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.76 4.09 0.00 2.75 1.65 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.61 4.91 0.00 3.08 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 0.00 143 K 8.94 4.01 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.49 7.81 144 I 7.58 4.03 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 1.27 0.38 0.91 0.00 0.00 145 K 8.48 4.48 0.00 1.76 1.64 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.97 7.81 146 P 0.00 4.60 0.00 2.08 2.02 0.00 3.11 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 147 I 7.91 4.18 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 1.27 0.82 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.