NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3139 8.3049 120.3481 55.4148 34.5033 175.1386 2 I 3.7831 7.5226 125.8663 60.6104 37.3304 175.5067 3 S 4.2634 9.0509 123.6113 59.6069 63.5203 170.5860 4 G 3.9736 7.1420 105.4276 45.4743 0.0000 171.3720 5 L 4.0913 8.3948 121.4637 55.1291 42.6262 177.1703 6 S 4.2908 8.6823 121.6514 59.7844 62.7827 173.0902 7 H 4.9774 7.2021 111.7016 55.3638 30.8329 172.2514 8 I 4.6749 8.4897 119.0114 59.7616 40.6166 174.9386 9 T 5.0273 8.6006 122.1125 61.8138 70.9256 173.3220 10 L 4.7858 9.0780 126.7736 53.0188 44.5770 175.4125 11 I 4.9486 8.3751 123.4900 60.1378 38.7808 175.4951 12 V 4.6686 8.9438 119.1402 59.6302 35.8536 176.6065 13 K 3.9728 9.4146 125.1148 58.8034 32.4389 177.1402 14 D 4.7779 7.7943 117.9539 51.5250 43.6196 175.1772 15 L 4.0978 9.1972 130.4591 58.2444 41.9145 178.5844 16 N 4.4677 8.2875 116.1173 55.9050 38.7039 177.3840 17 K 3.9150 8.6245 120.2078 59.8655 32.1350 179.6170 18 T 4.2284 8.1024 116.0203 66.8777 68.3040 176.7862 19 T 3.8073 8.3149 117.6866 66.7671 68.5176 176.3934 20 A 4.0484 7.9151 122.6269 54.8267 18.4583 179.2703 21 F 4.0316 8.5992 119.2694 61.6747 39.4931 177.4960 22 L 4.0443 8.1037 118.3666 57.7360 41.2849 179.6358 23 Q 3.9749 8.0743 117.9530 59.0634 28.5365 178.4646 24 N 4.2261 8.2600 116.2439 56.2834 38.6580 177.4418 25 I 3.5528 7.1040 119.6212 63.8050 37.4010 177.2136 26 F 4.4589 7.2751 114.6297 56.5827 39.1380 175.6679 27 N 4.2216 7.8692 116.4291 53.8137 36.5566 174.2375 28 A 4.2316 8.0307 118.6124 52.2907 19.5312 177.4409 29 E 4.5434 9.0444 123.3551 54.3418 31.2327 174.9305 30 E 4.1465 9.0335 128.7366 56.3901 30.3813 175.9303 31 I 4.2692 8.1791 129.7362 61.5249 39.7879 180.4478 *32 Y 3.1799 8.6032 123.7220 58.3436 37.2670 177.6122 *38 T 4.2219 8.6305 108.3109 61.9634 70.0140 174.7339 39 F 4.9967 8.5400 121.0487 58.1209 40.8628 176.2616 40 S 4.4230 8.1854 116.6787 58.5605 62.5433 177.0428 41 L 4.6548 8.3013 120.3729 54.6243 41.5952 177.6485 42 S 4.2980 7.7745 115.8744 58.0515 64.8897 173.8528 43 K 4.7457 8.3983 125.6691 54.8773 34.9275 175.0432 44 E 5.2193 8.4431 117.4713 55.1287 32.6791 174.7624 45 K 4.7846 9.1483 119.7793 54.7764 36.6467 175.1038 46 F 5.3192 8.6159 120.2643 55.9974 42.2237 174.5882 47 F 5.3721 9.7103 119.8092 55.8357 43.8947 173.4730 48 L 4.9997 8.6805 119.9165 53.0920 44.7018 176.0034 49 I 4.4378 8.5377 123.5879 59.0642 40.3207 175.3745 50 A 3.8462 9.7824 132.5386 52.9643 16.0768 177.7184 51 G 3.9553 8.3816 108.9189 46.2075 0.0000 174.1786 52 L 4.3081 8.0713 123.0892 54.1648 42.9550 175.3548 53 W 5.0232 9.0675 126.1966 56.2952 30.3944 174.7838 54 I 5.0522 9.3321 126.6486 59.2776 40.2297 173.5575 55 C 4.6248 8.8966 130.3706 57.4491 33.4603 172.1801 56 I 5.5464 8.7207 119.2803 58.6097 40.5718 174.1045 57 M 5.1608 8.3088 122.9779 53.8844 35.5547 173.8407 58 E 5.2046 8.3255 125.8978 56.3163 30.2786 176.3896 59 G 3.6832 9.0430 108.8282 48.1589 0.0000 177.1411 60 D 3.8616 9.4431 120.7679 53.9116 41.9219 174.5933 61 S 4.7024 8.5884 118.7118 59.1216 70.0800 178.0367 62 L 4.4740 6.9077 118.3062 56.3250 46.1936 175.3395 63 Q 4.5460 8.2169 109.7944 57.3204 30.3123 173.6899 64 E 4.1105 8.7183 120.8577 56.1705 30.2556 176.6216 65 R 4.1489 8.1210 120.0903 56.1811 30.8026 176.3408 66 T 4.2176 7.8714 111.0554 60.9056 71.7690 172.9519 67 Y 4.6673 8.1372 117.3778 57.8827 38.2373 175.8404 68 N 4.4227 7.6318 119.1971 53.9766 38.9806 173.9058 69 H 4.9883 8.1014 116.6040 54.8203 31.9063 172.4635 70 I 4.3419 7.9692 119.7591 59.5253 39.4385 174.3289 71 A 5.2003 8.2794 127.8081 50.1868 21.2501 175.3327 72 F 4.7989 9.1585 121.3532 55.7040 42.0406 174.8214 73 Q 4.9039 8.7445 123.3316 55.7848 29.8652 174.7241 74 I 4.7998 8.6193 118.7267 59.3920 42.0547 174.1349 75 Q 4.6870 8.4423 120.2924 54.3952 30.4109 177.1715 76 S 4.1775 8.7824 116.9292 62.1829 62.9227 176.2981 77 E 4.3373 8.1745 115.7417 57.3948 29.3705 177.3389 78 E 4.5943 8.5026 118.9056 55.9285 30.4599 177.7625 79 V 3.6436 7.6221 119.4282 66.3727 31.6317 177.5921 80 D 4.3594 8.0771 117.9624 57.1867 40.6711 178.2332 81 E 3.8300 8.0897 119.3751 59.5862 29.7269 178.3937 82 Y 3.8524 8.1957 116.8560 61.2280 37.8687 178.4758 83 T 3.7955 8.0470 116.8017 66.6871 68.5198 176.4737 84 E 3.9262 8.0845 120.4183 59.4650 29.2960 179.4865 85 R 3.8289 7.6402 116.9459 59.2158 30.3404 178.9739 86 I 3.6614 7.6776 119.5780 64.0461 37.0589 178.5397 87 K 3.9090 8.0174 119.1009 59.4986 31.6995 179.0008 88 A 4.0190 7.7492 119.7262 55.2787 18.1991 178.9502 89 L 4.2028 7.6482 117.3881 56.1662 42.3708 177.8668 90 G 4.0514 8.3705 107.0056 45.0491 0.0000 174.1744 91 V 3.8365 7.3514 112.0987 61.0291 32.4274 175.2389 92 E 4.3162 8.6734 122.9705 56.6744 30.7244 175.1289 93 M 5.2389 8.5812 125.2297 53.7957 35.6691 174.9634 94 K 4.4667 9.0587 125.8580 54.7913 32.0841 175.1339 95 P 4.3998 0.0000 0.0000 62.2098 31.9496 176.5357 96 E 4.1138 8.7707 123.0391 56.5839 30.0719 176.8502 97 R 4.3280 8.0747 124.3407 54.2029 31.4870 174.3085 98 P 4.4437 0.0000 0.0000 63.2913 31.7792 176.2651 99 R 4.6215 7.9390 115.0834 54.9067 32.5600 175.2681 100 V 4.0720 7.8490 113.0089 59.9046 32.9599 175.5582 101 Q 4.0302 8.3135 122.3703 57.6625 29.2451 176.3045 102 G 3.8809 8.7940 111.5391 45.9166 0.0000 172.3837 103 E 4.5069 7.5630 119.1280 54.1787 30.9489 175.9457 104 G 4.0226 8.4142 112.6615 45.8744 0.0000 172.7429 105 R 4.8789 8.3834 119.3601 54.4855 32.4332 175.5962 106 S 5.2280 8.6339 117.4329 56.7959 67.4502 172.7268 107 I 4.8659 8.6845 123.5921 59.8800 39.7139 174.0922 108 Y 5.2042 8.6973 124.6497 56.1872 40.5990 174.7364 109 F 5.2871 8.6473 117.5101 56.3204 41.7331 172.7489 110 Y 5.0257 8.9053 118.0386 56.3063 40.1279 176.1344 111 D 3.5295 8.3915 124.2986 53.5357 39.2103 177.4747 112 F 4.8338 8.1970 119.2390 57.6878 39.0254 175.2595 113 D 4.8427 8.3345 121.7131 54.3356 41.8861 175.6664 114 N 4.8046 8.4432 112.0467 54.6010 36.5199 173.5984 115 H 4.7351 7.7903 115.0941 54.5045 30.5811 174.3472 116 L 4.2319 8.2354 125.3284 54.5077 43.4601 175.3483 117 F 4.9176 8.7709 124.0226 55.6144 43.5398 173.4601 118 E 4.9573 8.9660 120.5177 54.5676 33.3485 173.9600 119 L 5.0929 9.0959 126.8104 53.5427 43.9902 174.7395 120 H 5.1211 9.6401 124.7752 53.4839 31.8991 172.7640 121 A 5.2623 8.4111 127.9950 50.7909 21.1027 178.3694 122 G 3.7846 8.6125 106.3217 45.0289 0.0000 173.2675 123 T 3.9495 8.3051 117.0907 63.2407 69.0664 173.7954 124 L 4.0568 8.5218 128.2243 55.2652 42.5028 175.7056 125 E 4.7097 8.3471 121.8290 55.8849 31.6982 174.1023 126 E 4.5703 8.7322 120.5233 55.2663 30.8787 175.7431 127 R 4.6686 8.4745 123.2897 55.8538 31.1074 177.5502 128 L 3.7082 8.1755 122.8800 57.8615 41.7889 179.4227 129 K 4.0114 8.0289 117.1007 59.4287 32.6250 178.9015 130 R 3.9256 7.9637 118.1055 58.4237 29.9729 176.5794 131 Y 4.5821 7.9940 118.1772 58.7279 38.5625 176.1048 *132 H 4.5080 7.7005 121.4357 54.6975 28.9559 175.7833 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 M 8.30 4.31 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 I 7.52 3.78 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 0.27 0.91 0.00 0.00 3 S 9.05 4.26 0.00 3.63 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 4 G 7.14 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 5 L 8.39 4.09 0.00 1.63 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.68 4.29 0.00 3.89 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 7 H 7.20 4.98 0.00 3.58 3.48 0.00 5.52 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 8 I 8.49 4.67 1.93 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 1.22 0.87 0.91 0.00 0.00 9 T 8.60 5.03 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 1.21 0.00 0.00 10 L 9.08 4.79 0.00 1.54 1.40 0.93 0.51 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 11 I 8.38 4.95 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.03 0.00 0.00 12 V 8.94 4.67 2.32 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 0.84 0.00 0.00 1.06 0.00 0.00 13 K 9.41 3.97 0.00 1.72 1.85 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 14 D 7.79 4.78 0.00 2.67 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 15 L 9.20 4.10 0.00 1.85 1.85 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.29 4.47 0.00 3.02 2.86 0.00 0.00 7.18 7.05 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 17 K 8.62 3.92 0.00 1.76 1.15 0.00 1.60 0.00 0.00 1.15 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.13 1.45 7.81 18 T 8.10 4.23 4.37 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 1.33 0.00 0.00 19 T 8.31 3.81 4.58 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 1.41 0.00 0.00 20 A 7.92 4.05 1.45 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 21 F 8.60 4.03 0.00 3.33 3.38 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 22 L 8.10 4.04 0.00 1.29 1.37 0.39 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.07 3.97 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 24 N 8.26 4.23 0.00 2.73 2.75 0.00 0.00 7.18 7.42 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 25 I 7.10 3.55 0.70 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 0.91 -0.18 -0.16 0.00 0.00 26 F 7.28 4.46 0.00 2.94 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 27 N 7.87 4.22 0.00 2.82 2.86 0.00 0.00 6.88 8.67 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 28 A 8.03 4.23 1.09 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 0.00 0.00 0.00 0.00 0.00 29 E 9.04 4.54 0.00 2.08 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 0.00 2.18 2.27 0.00 30 E 9.03 4.15 0.00 2.08 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 0.00 2.08 1.65 0.00 31 I 8.18 4.27 2.08 0.00 0.00 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 1.05 1.21 1.06 0.00 0.00 *32 Y 8.60 3.18 0.00 2.41 1.73 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 *38 T 8.63 4.22 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 39 F 8.54 5.00 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 40 S 8.19 4.42 0.00 3.63 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 41 L 8.30 4.65 0.00 1.65 1.73 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.77 4.30 0.00 3.84 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 43 K 8.40 4.75 0.00 1.69 1.76 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.36 7.81 44 E 8.44 5.22 0.00 1.93 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 2.23 2.44 0.00 45 K 9.15 4.78 0.00 1.77 1.30 0.00 1.85 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.42 7.81 46 F 8.62 5.32 0.00 2.92 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 47 F 9.71 5.37 0.00 2.93 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 48 L 8.68 5.00 0.00 1.36 1.17 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.54 4.44 1.69 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.72 0.08 0.00 0.00 50 A 9.78 3.85 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 51 G 8.38 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 0.00 0.00 0.00 52 L 8.07 4.31 0.00 1.85 1.95 1.04 1.09 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 53 W 9.07 5.02 0.00 3.66 3.49 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 0.00 54 I 9.33 5.05 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 1.08 0.00 0.00 55 C 8.90 4.62 0.00 1.23 2.33 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 56 I 8.72 5.55 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 1.01 0.00 0.00 57 M 8.31 5.16 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 58 E 8.33 5.20 0.00 1.97 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 2.39 2.15 0.00 59 G 9.04 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 60 D 9.44 3.86 0.00 2.88 2.84 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 61 S 8.59 4.70 0.00 3.59 3.73 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 62 L 6.91 4.47 0.00 1.57 1.41 0.92 0.80 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 63 Q 8.22 4.55 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.01 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 64 E 8.72 4.11 0.00 1.93 1.86 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 2.26 2.23 0.00 65 R 8.12 4.15 0.00 1.64 1.76 0.00 2.84 0.00 0.00 2.78 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 66 T 7.87 4.22 4.15 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 1.12 0.00 0.00 67 Y 8.14 4.67 0.00 3.02 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 68 N 7.63 4.42 0.00 2.65 2.72 0.00 0.00 6.69 8.01 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 69 H 8.10 4.99 0.00 3.08 3.12 0.00 5.10 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 70 I 7.97 4.34 1.69 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 1.10 0.35 0.50 0.00 0.00 71 A 8.28 5.20 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 72 F 9.16 4.80 0.00 3.13 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 73 Q 8.74 4.90 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 74 I 8.62 4.80 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.49 0.00 0.00 75 Q 8.44 4.69 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 76 S 8.78 4.18 0.00 3.89 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 77 E 8.17 4.34 0.00 1.95 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 2.32 2.40 0.00 78 E 8.50 4.59 0.00 2.28 2.25 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 2.30 2.33 0.00 79 V 7.62 3.64 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 1.06 0.00 0.00 1.00 0.00 0.00 80 D 8.08 4.36 0.00 2.72 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 81 E 8.09 3.83 0.00 1.92 1.85 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 2.24 2.22 0.00 82 Y 8.20 3.85 0.00 3.10 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 T 8.05 3.80 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 1.20 0.00 0.00 84 E 8.08 3.93 0.00 2.09 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 0.00 2.46 2.42 0.00 85 R 7.64 3.83 0.00 1.69 1.78 0.00 3.04 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 86 I 7.68 3.66 1.73 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.58 0.00 0.00 87 K 8.02 3.91 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.64 7.81 88 A 7.75 4.02 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 89 L 7.65 4.20 0.00 1.65 1.86 1.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.37 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 0.00 0.00 0.00 91 V 7.35 3.84 2.29 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 0.33 0.00 0.00 1.17 0.00 0.00 92 E 8.67 4.32 0.00 2.08 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 0.00 2.70 2.42 0.00 93 M 8.58 5.24 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 94 K 9.06 4.47 0.00 1.55 1.75 0.00 1.70 0.00 0.00 1.35 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.44 7.81 95 P 0.00 4.40 0.00 2.13 2.07 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 96 E 8.77 4.11 0.00 2.01 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 2.32 2.43 0.00 97 R 8.07 4.33 0.00 1.66 1.74 0.00 3.34 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 98 P 0.00 4.44 0.00 2.01 1.98 0.00 3.62 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 2.01 2.08 0.00 99 R 7.94 4.62 0.00 1.95 1.82 0.00 3.03 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 100 V 7.85 4.07 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 0.74 0.00 0.00 0.92 0.00 0.00 101 Q 8.31 4.03 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 102 G 8.79 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 0.00 103 E 7.56 4.51 0.00 2.04 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 0.00 2.25 2.23 0.00 104 G 8.41 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 0.00 0.00 0.00 105 R 8.38 4.88 0.00 1.77 1.97 0.00 3.08 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 106 S 8.63 5.23 0.00 3.85 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 0.00 107 I 8.68 4.87 1.94 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 1.26 0.81 0.94 0.00 0.00 108 Y 8.70 5.20 0.00 2.68 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 0.00 109 F 8.65 5.29 0.00 3.36 3.09 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 0.00 0.00 0.00 110 Y 8.91 5.03 0.00 2.89 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 0.00 111 D 8.39 3.53 0.00 1.72 1.54 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 0.00 112 F 8.20 4.83 0.00 3.01 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 0.00 113 D 8.33 4.84 0.00 2.71 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 0.00 114 N 8.44 4.80 0.00 2.84 2.83 0.00 0.00 7.12 8.16 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 0.00 115 H 7.79 4.74 0.00 3.19 2.80 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.24 4.23 0.00 1.57 1.58 0.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.77 4.92 0.00 2.28 2.55 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 0.00 0.00 0.00 0.00 118 E 8.97 4.96 0.00 1.47 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 1.92 1.47 0.00 119 L 9.10 5.09 0.00 1.64 1.42 0.48 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.64 5.12 0.00 3.15 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.41 5.26 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 0.00 122 G 8.61 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 0.00 0.00 0.00 123 T 8.31 3.95 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 1.24 0.00 0.00 124 L 8.52 4.06 0.00 1.57 1.59 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.35 4.71 0.00 2.10 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 2.38 2.30 0.00 126 E 8.73 4.57 0.00 1.97 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 0.00 2.28 2.43 0.00 127 R 8.47 4.67 0.00 2.26 2.14 0.00 3.25 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 128 L 8.18 3.71 0.00 1.67 1.57 0.30 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.03 4.01 0.00 1.95 2.03 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.46 7.81 130 R 7.96 3.93 0.00 1.76 1.65 0.00 3.17 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 131 Y 7.99 4.58 0.00 2.79 2.94 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 *132 H 7.70 4.51 0.00 2.90 2.76 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.