NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6942 8.3549 109.7361 43.5175 0.0000 173.9739 2 S 3.4381 8.8555 127.1698 58.4110 59.6206 169.9013 3 S 4.8938 9.8217 123.8173 55.7646 65.4094 175.4901 4 G 3.9999 8.7990 113.0755 43.2878 0.0000 174.1172 5 S 3.5972 8.5575 129.3305 58.8596 61.6594 172.6459 6 S 4.3770 8.6346 121.1729 57.9614 64.6730 174.9240 7 G 3.6285 8.6031 104.4450 46.0897 0.0000 173.8708 8 S 4.7641 7.3437 112.4712 57.4638 67.6860 173.6209 9 S 4.5319 8.6854 115.3595 59.6130 68.8201 174.1694 10 S 3.5925 8.4973 115.8694 57.7870 62.4543 169.7651 11 S 4.0325 8.5988 122.8475 57.8276 62.0330 171.3857 12 Q 4.6479 8.1010 117.7027 54.9162 32.5793 173.2561 13 H 5.0411 8.5271 116.8374 54.0710 32.3207 172.4848 14 F 5.0550 8.5575 121.4429 55.5521 42.1894 174.5451 15 N 4.9849 9.5371 121.7290 52.9770 39.4121 173.7574 16 L 4.9781 8.8236 127.4938 53.8642 44.0488 175.1168 17 N 6.2600 9.0526 122.7098 50.9969 43.4326 173.5803 18 F 5.0797 8.1781 112.3289 56.4561 40.6727 173.1884 19 T 4.2607 7.9810 122.2411 63.5682 69.2991 173.9709 20 I 4.6246 8.6702 127.6936 59.7615 37.8882 176.3492 21 T 3.9607 8.8076 118.8553 63.6305 68.9867 174.0776 22 N 4.6819 7.7299 122.3207 51.9495 37.4456 177.1033 23 L 4.2875 7.3850 115.9228 53.7790 43.5796 171.3529 24 P 4.3997 0.0000 0.0000 62.6050 31.9526 176.8840 25 Y 4.0686 7.7804 123.0193 56.8178 37.0166 175.0556 26 S 4.6989 7.6833 122.7208 56.5694 65.4414 175.3504 27 Q 4.1279 8.4797 119.2653 59.2798 28.2353 178.8257 28 D 4.3510 7.9856 119.5900 57.4953 40.7913 178.6457 29 I 3.8997 7.1180 116.8452 63.5785 36.9917 177.6778 30 A 4.4052 7.5367 120.7942 52.3052 18.9110 177.1570 31 Q 4.4271 7.3651 117.1417 53.4199 30.3359 174.9960 32 P 2.9700 0.0000 0.0000 64.0590 31.4506 176.3159 33 S 4.6122 7.1512 111.6836 58.6466 62.6557 173.1262 34 T 4.7649 7.4781 107.1830 59.2160 72.1977 174.7632 35 T 4.0068 8.4226 117.5419 66.5511 68.5578 177.2937 36 K 4.1413 8.0884 120.8889 59.4381 32.0490 177.8765 37 Y 4.0028 7.8381 120.1774 60.6116 38.9041 177.2603 38 Q 4.2166 8.1969 118.9865 59.2669 28.8750 178.8648 39 Q 4.0249 8.6690 119.2296 59.5589 28.8207 179.1095 40 T 3.8779 7.7308 116.5351 66.4265 68.2230 176.6394 41 K 3.9713 8.4979 122.0578 59.5902 32.1457 178.7229 42 R 4.0055 8.1936 118.6726 58.6958 30.0350 178.2530 43 S 4.0697 8.5595 113.5378 61.4605 62.3615 176.3309 44 I 3.5058 7.6612 122.3570 64.3561 36.6305 178.0822 45 E 3.9442 7.8766 119.9892 59.2414 28.9377 178.4106 46 N 4.3331 8.5182 117.3137 56.4139 38.8438 176.8703 47 A 4.6204 7.8156 123.6553 54.6145 18.4367 179.6471 48 L 3.5183 8.1188 117.7759 57.4861 41.4283 178.9270 49 N 4.3759 7.7076 117.3133 56.7768 39.1043 176.9364 50 Q 3.9742 7.7770 118.3182 58.7941 28.4757 178.2261 51 L 3.8396 7.1362 122.7422 57.6492 42.0771 178.7775 52 F 4.2009 7.5071 119.4014 60.0464 38.7156 177.8210 53 R 3.9990 7.5702 113.5323 58.7377 29.2521 177.2479 54 N 4.5308 7.3651 114.4775 54.4809 39.1741 175.4571 55 S 4.2951 7.8697 113.1322 57.9076 63.5365 175.2169 56 S 4.2000 8.5185 115.0019 60.7065 62.3665 174.0386 57 I 4.4059 7.5066 114.8488 60.4287 38.1134 176.0038 58 K 4.4218 7.6635 117.1082 56.8861 32.5687 176.1498 59 S 4.5815 7.5728 113.8865 60.8963 70.0800 175.7957 60 Y 4.4359 7.6391 116.8480 59.4598 38.5378 175.4127 61 F 2.9363 7.5031 121.3522 57.6213 38.8026 174.2656 62 S 4.3054 6.4732 126.6044 59.5868 62.3241 175.7080 63 D 4.7233 6.8473 117.3175 54.2252 44.8084 172.8965 64 C 5.5955 8.9438 118.1889 56.8954 34.9786 173.6789 65 Q 4.4797 8.5397 123.1813 53.9664 31.1615 174.6147 66 V 3.8553 8.2367 126.3716 61.4835 30.5282 176.4245 67 L 4.0666 9.1688 127.0649 56.5663 41.5435 178.1248 68 A 4.1546 6.7747 117.6682 51.7290 23.0542 173.7430 69 F 5.4826 8.9850 112.9880 56.1070 42.2825 175.3280 70 R 4.8188 9.2108 120.7219 54.6286 33.7561 175.2973 71 S 4.2827 8.3154 116.9279 56.3232 62.2704 174.2354 72 V 3.7375 8.1957 120.1890 61.4586 32.0417 177.1946 73 S 4.3337 8.1864 118.0549 58.6528 64.2347 171.5970 74 N 4.5147 8.5453 120.9026 54.1294 38.0880 173.6414 75 N 5.0593 7.6850 114.3646 51.6858 41.7425 174.1649 76 N 4.8742 8.5679 118.8609 53.6141 39.1568 175.3115 77 N 5.2461 7.9682 114.4274 53.5646 39.3732 173.0226 78 H 5.2278 7.7778 112.7895 54.8316 33.5397 172.5538 79 T 4.7571 8.0516 111.1557 63.1197 73.3569 173.6967 80 G 4.0360 9.7563 116.1440 45.5113 0.0000 172.9448 81 V 4.0195 8.0197 127.5358 62.6959 32.5144 174.9040 82 D 5.2865 8.7199 130.5425 52.9317 40.4704 176.1244 83 S 5.2537 9.0476 119.3641 55.6642 67.1134 173.0811 84 L 4.9418 8.2443 120.1491 53.3832 44.3303 175.5273 85 C 5.1010 9.2825 127.4679 60.0442 25.1616 173.1153 86 N 4.4402 8.4339 119.9371 53.2379 39.9688 174.3564 87 F 4.5269 8.1861 119.2517 55.9076 43.5548 174.2606 88 S 4.8036 8.5294 115.7111 56.5713 64.4977 174.4446 89 P 4.4345 0.0000 0.0000 65.8125 31.2261 177.9830 90 L 4.0333 8.0079 117.9735 57.1189 41.8046 176.8670 91 A 3.9368 7.8096 121.3593 52.7163 18.3503 176.5614 92 R 4.3952 8.3800 120.7075 57.6844 32.6760 177.1130 93 R 4.3186 7.4075 117.5023 54.1992 28.7885 173.8335 94 V 4.1532 7.5262 118.0570 60.7596 34.4724 174.5566 95 D 4.8274 8.2026 126.0487 52.7179 43.2938 177.3539 96 R 3.6950 8.4159 120.3325 59.3797 30.1505 179.5272 97 V 3.6104 7.9188 117.0529 65.7968 31.3000 177.1310 98 A 3.9743 7.4924 120.1733 55.7420 18.0895 179.7083 99 I 3.7663 7.5364 116.8001 64.1079 37.1461 178.1398 100 Y 4.1024 7.7036 121.0658 60.7164 38.6682 177.5568 101 E 3.9445 8.9242 119.8524 59.2299 29.4086 179.0380 102 E 4.0025 8.5171 118.8474 59.0611 29.5799 178.9054 103 F 4.2236 8.0189 120.4460 60.5620 39.5195 177.5413 104 L 4.2454 7.3775 120.2736 56.7613 41.1371 179.2629 105 R 3.8525 7.6992 118.2285 59.4552 30.0918 177.8419 106 M 4.0838 7.2135 117.0623 57.4488 32.5108 177.0279 107 T 4.2374 6.9897 110.1266 59.7021 69.4242 174.0241 108 H 4.1197 8.5221 116.6680 58.1397 25.6362 174.3400 109 N 3.9362 9.5007 112.1856 54.0649 37.3888 175.2038 110 G 3.8343 7.2281 101.7570 46.6087 0.0000 173.5854 111 T 4.9871 8.9544 109.6375 61.7508 72.2315 174.5527 112 Q 4.4874 7.7183 125.1467 53.6267 30.5523 173.2943 113 L 4.2431 8.6522 129.3548 54.2197 40.1598 175.2234 114 L 3.9122 7.6751 122.1130 54.4120 40.7184 173.9729 115 N 5.0151 8.0979 118.7963 53.1106 40.4511 175.3737 116 F 4.3978 8.3027 117.2607 55.5511 41.3103 173.4752 117 T 4.6854 8.4710 117.2845 61.7004 69.6694 173.4058 118 L 5.3428 8.9386 126.3759 53.5110 44.5618 175.5427 119 D 4.8700 8.3601 118.9880 54.6712 42.2932 175.4796 120 R 4.5116 8.5691 118.3170 57.8938 31.5731 178.0012 121 K 4.1823 8.2566 115.6024 59.4490 32.2786 178.4719 122 S 4.3318 7.6358 112.9357 61.0698 63.1363 175.2223 123 V 4.3228 7.6150 119.6367 63.3614 32.0939 175.5133 124 F 4.5647 9.2326 124.8723 57.4728 43.5050 172.7441 125 V 4.9370 7.6017 124.9295 60.2495 34.0678 174.0929 126 D 5.0356 9.1124 122.4808 53.1157 45.4340 172.8646 127 S 4.1843 8.6466 113.3465 57.1533 63.8302 173.6033 128 G 4.1137 8.6302 114.5992 47.5609 0.0000 171.5838 129 P 4.4250 0.0000 0.0000 62.9628 31.3978 177.5764 130 S 4.3894 8.4830 119.6336 58.2658 64.4037 174.6431 131 S 3.4581 8.0906 118.2674 58.8720 59.1733 172.7191 *132 G 3.7142 8.1005 111.0434 45.5284 0.0000 170.3158 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 1 G 8.35 3.69 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 0.00 0.00 0.00 2 S 8.86 3.44 0.00 4.11 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 0.00 3 S 9.82 4.89 0.00 3.82 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 4 G 8.80 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 5 S 8.56 3.60 0.00 4.13 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 6 S 8.63 4.38 0.00 3.82 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 7 G 8.60 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 8 S 7.34 4.76 0.00 3.80 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 9 S 8.69 4.53 0.00 3.75 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 10 S 8.50 3.59 0.00 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.60 4.03 0.00 4.08 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 12 Q 8.10 4.65 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 13 H 8.53 5.04 0.00 2.96 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.56 5.05 0.00 3.17 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 15 N 9.54 4.98 0.00 2.90 2.88 0.00 0.00 6.35 6.79 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 8.82 4.98 0.00 1.99 1.73 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.05 6.26 0.00 3.06 2.77 0.00 0.00 6.54 9.28 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 18 F 8.18 5.08 0.00 3.22 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 19 T 7.98 4.26 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 1.31 0.00 0.00 20 I 8.67 4.62 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.94 1.24 0.00 0.00 21 T 8.81 3.96 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 1.13 0.00 0.00 22 N 7.73 4.68 0.00 3.07 2.79 0.00 0.00 6.63 7.01 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 23 L 7.39 4.29 0.00 1.73 1.61 0.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.40 0.00 2.23 2.05 0.00 3.80 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 1.97 1.94 0.00 25 Y 7.78 4.07 0.00 3.14 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 26 S 7.68 4.70 0.00 3.86 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 27 Q 8.48 4.13 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 28 D 7.99 4.35 0.00 2.66 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 29 I 7.12 3.90 1.32 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.45 0.00 0.00 30 A 7.54 4.41 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 31 Q 7.37 4.43 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 32 P 0.00 2.97 0.00 1.75 1.55 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 33 S 7.15 4.61 0.00 3.81 3.78 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 34 T 7.48 4.76 4.40 0.00 0.00 0.00 0.00 0.00 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 35 T 8.42 4.01 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 36 K 8.09 4.14 0.00 1.86 1.80 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 Y 7.84 4.00 0.00 3.24 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 38 Q 8.20 4.22 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 39 Q 8.67 4.02 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 40 T 7.73 3.88 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 0.95 0.00 0.00 41 K 8.50 3.97 0.00 1.73 1.94 0.00 1.30 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.26 7.81 42 R 8.19 4.01 0.00 2.09 1.92 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 43 S 8.56 4.07 0.00 4.12 3.69 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 44 I 7.66 3.51 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.27 1.00 0.00 0.00 45 E 7.88 3.94 0.00 2.27 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 0.00 2.38 2.36 0.00 46 N 8.52 4.33 0.00 2.90 2.96 0.00 0.00 7.03 9.00 0.00 0.00 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 A 7.82 4.62 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 48 L 8.12 3.52 0.00 1.71 1.35 1.08 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.71 4.38 0.00 2.94 2.80 0.00 0.00 6.96 6.84 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 50 Q 7.78 3.97 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 51 L 7.14 3.84 0.00 1.64 1.32 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.51 4.20 0.00 3.13 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 53 R 7.57 4.00 0.00 1.86 2.11 0.00 3.11 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 54 N 7.37 4.53 0.00 3.01 2.84 0.00 0.00 7.21 7.40 0.00 0.00 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 S 7.87 4.30 0.00 3.97 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 56 S 8.52 4.20 0.00 3.85 3.95 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 I 7.51 4.41 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 1.11 0.00 0.00 58 K 7.66 4.42 0.00 1.89 2.21 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.41 7.81 59 S 7.57 4.58 0.00 3.44 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 60 Y 7.64 4.44 0.00 3.22 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 61 F 7.50 2.94 0.00 2.54 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 62 S 6.47 4.31 0.00 3.46 3.64 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 63 D 6.85 4.72 0.00 2.71 2.52 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 64 C 8.94 5.60 0.00 3.61 3.03 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 0.00 0.00 0.00 65 Q 8.54 4.48 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 66 V 8.24 3.86 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 0.81 0.00 0.00 0.53 0.00 0.00 67 L 9.17 4.07 0.00 1.52 1.72 0.93 0.75 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 68 A 6.77 4.15 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 69 F 8.98 5.48 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 70 R 9.21 4.82 0.00 1.74 1.83 0.00 3.34 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 71 S 8.32 4.28 0.00 2.72 3.22 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 0.00 72 V 8.20 3.74 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 0.80 0.00 0.00 1.06 0.00 0.00 73 S 8.19 4.33 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.55 4.51 0.00 2.84 2.90 0.00 0.00 6.67 7.81 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 75 N 7.68 5.06 0.00 2.66 2.54 0.00 0.00 6.78 7.98 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 76 N 8.57 4.87 0.00 2.73 2.82 0.00 0.00 6.56 6.84 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 77 N 7.97 5.25 0.00 2.59 2.62 0.00 0.00 6.96 7.89 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 78 H 7.78 5.23 0.00 3.05 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.05 4.76 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 1.13 0.00 0.00 80 G 9.76 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 0.00 0.00 0.00 81 V 8.02 4.02 0.90 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 0.65 0.00 0.00 0.55 0.00 0.00 82 D 8.72 5.29 0.00 2.67 2.53 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 83 S 9.05 5.25 0.00 3.99 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 84 L 8.24 4.94 0.00 1.79 1.56 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 C 9.28 5.10 0.00 3.27 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 86 N 8.43 4.44 0.00 2.60 2.51 0.00 0.00 6.78 7.96 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 87 F 8.19 4.53 0.00 2.88 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 88 S 8.53 4.80 0.00 4.06 3.84 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 0.00 0.00 0.00 89 P 0.00 4.43 0.00 2.20 2.21 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 90 L 8.01 4.03 0.00 1.79 1.98 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.81 3.94 1.62 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 0.00 0.00 92 R 8.38 4.40 0.00 1.68 1.87 0.00 3.34 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 93 R 7.41 4.32 0.00 1.65 1.81 0.00 3.27 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 94 V 7.53 4.15 1.80 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 -0.08 0.00 0.00 0.83 0.00 0.00 95 D 8.20 4.83 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 3.70 0.00 1.79 2.03 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.73 0.00 97 V 7.92 3.61 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 0.88 0.00 0.00 0.92 0.00 0.00 98 A 7.49 3.97 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 99 I 7.54 3.77 1.86 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.39 1.11 0.00 0.00 100 Y 7.70 4.10 0.00 2.98 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 0.00 101 E 8.92 3.94 0.00 2.16 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 2.37 2.43 0.00 102 E 8.52 4.00 0.00 2.24 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 2.36 2.37 0.00 103 F 8.02 4.22 0.00 3.04 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 0.00 104 L 7.38 4.25 0.00 1.64 1.51 0.09 0.54 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 0.00 105 R 7.70 3.85 0.00 1.93 1.88 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 106 M 7.21 4.08 0.00 1.66 1.88 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 107 T 6.99 4.24 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 -0.11 0.00 0.00 108 H 8.52 4.12 0.00 3.28 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 9.50 3.94 0.00 2.80 2.88 0.00 0.00 6.79 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 0.00 110 G 7.23 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 0.00 111 T 8.95 4.99 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 1.27 0.00 0.00 112 Q 7.72 4.49 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 113 L 8.65 4.24 0.00 1.74 1.90 1.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.68 3.91 0.00 1.89 1.64 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.10 5.02 0.00 2.65 2.87 0.00 0.00 6.47 6.84 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 0.00 116 F 8.30 4.40 0.00 3.34 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 0.00 117 T 8.47 4.69 4.27 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 1.20 0.00 0.00 118 L 8.94 5.34 0.00 2.23 2.00 1.18 1.49 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 0.00 119 D 8.36 4.87 0.00 2.79 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 0.00 120 R 8.57 4.51 0.00 2.22 1.92 0.00 3.27 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 121 K 8.26 4.18 0.00 1.87 1.95 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 122 S 7.64 4.33 0.00 4.20 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 0.00 123 V 7.62 4.32 2.52 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 1.04 0.00 0.00 1.26 0.00 0.00 124 F 9.23 4.56 0.00 3.10 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 0.00 125 V 7.60 4.94 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 0.59 0.00 0.00 1.04 0.00 0.00 126 D 9.11 5.04 0.00 3.14 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 0.00 127 S 8.65 4.18 0.00 3.63 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 0.00 128 G 8.63 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.42 0.00 2.09 2.02 0.00 3.83 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 1.83 1.85 0.00 130 S 8.48 4.39 0.00 3.80 3.79 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 0.00 131 S 8.09 3.46 0.00 3.97 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 *132 G 8.10 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.