NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.2738 8.3144 120.1321 57.0089 33.6790 174.5497 29 T 4.4482 8.0550 112.4907 61.5380 68.4701 172.2319 30 A 4.7262 8.1227 121.7211 50.4966 20.4312 177.6409 31 C 4.4023 8.3470 119.7737 57.7749 38.9903 172.9849 32 R 4.6509 8.9739 122.2588 54.6483 33.3438 173.7305 33 K 4.4045 8.4433 120.7439 56.4223 33.0450 175.4522 34 H 4.7809 8.6387 124.0751 53.6704 31.8994 173.2427 35 E 4.4974 8.6209 121.6884 56.4079 30.5062 176.2262 36 L 4.6073 8.3661 124.5929 54.1514 45.8678 173.0837 37 Y 4.8125 8.7053 127.3454 55.8860 41.2473 173.9859 38 V 4.0565 7.6891 126.9351 60.8169 34.5062 174.4050 39 S 4.5458 8.1797 122.0736 57.2012 63.4597 174.4267 40 F 4.5108 8.7210 124.7436 58.9890 38.9176 177.3565 41 Q 4.1678 8.2344 121.6048 58.6743 28.7956 178.2242 42 D 4.3487 8.0865 117.2938 56.5715 40.8251 177.0538 43 L 4.2168 7.6957 116.1366 53.5065 42.3246 175.9856 44 G 4.0144 7.7623 106.6520 47.1713 0.0000 175.2898 45 W 4.8356 8.3260 120.0342 57.5610 30.7969 178.4666 46 Q 3.9410 7.9603 117.6720 59.3077 28.3513 179.1996 47 D 4.5066 8.9980 120.7613 54.8951 41.1339 176.8747 48 W 3.8746 8.6422 117.7430 55.4562 31.3270 174.5158 49 I 4.7379 7.5664 119.4800 60.0199 38.2801 175.4967 50 I 4.2591 8.6931 125.6281 62.8205 38.1922 176.3000 51 A 4.5854 7.4495 119.5433 50.9030 21.5640 174.1192 52 P 5.0443 0.0000 0.0000 61.6492 32.8828 176.4198 53 K 4.5093 8.7058 117.0037 57.1076 32.3705 176.6194 54 G 3.9363 7.9895 104.7715 46.7104 0.0000 171.4516 55 Y 4.8128 7.1013 116.8559 55.8986 41.8308 174.2934 56 A 4.4575 8.6236 122.2840 51.0755 17.7362 176.9066 57 A 3.9764 7.8133 123.8993 53.5252 19.9436 178.4225 58 N 4.5135 8.1499 113.8543 53.4423 38.6430 172.4095 59 Y 4.8437 7.8660 113.6543 56.6647 41.3947 173.1660 60 C 4.9885 8.7714 118.4359 56.7649 41.8385 172.4149 61 D 4.4422 8.4624 119.1730 54.3491 44.9498 174.1528 62 G 4.4680 8.8910 108.2685 43.0226 0.0000 173.3058 63 E 4.0394 8.6268 121.4188 55.8030 30.1967 175.3663 64 C 4.7206 8.4028 122.5713 55.6507 41.0162 173.0649 65 S 4.2691 7.8763 117.8436 56.7346 65.3637 174.0773 66 F 4.4954 8.0584 119.0891 56.8711 39.1369 173.9951 67 P 4.7244 0.0000 0.0000 62.6135 31.8978 176.0728 68 L 4.7733 8.4592 120.2843 52.9203 45.5901 175.5234 69 N 4.8447 8.5372 120.1610 51.4456 40.5633 174.9047 70 A 4.3210 8.6209 128.4626 54.1254 18.6138 177.1764 71 H 4.9845 8.1237 110.9726 55.6656 30.0398 174.5318 72 M 4.5791 8.1261 116.2387 55.1095 33.8563 175.5461 73 N 4.8757 8.4858 118.3223 52.9844 40.6191 174.3017 74 A 5.4264 7.6224 118.9247 51.8881 22.3153 175.6929 75 T 4.8727 7.8753 108.8257 59.2926 73.0711 174.6143 76 N 4.2930 8.6696 118.8819 57.0488 38.6152 176.8134 77 H 3.9888 8.4193 118.6012 59.5034 29.7324 176.8002 78 A 4.1050 8.0193 122.3108 55.0574 18.2721 179.7776 79 I 3.6126 7.5604 117.9095 64.5264 37.1664 178.7937 80 V 3.6191 7.9346 119.1755 66.0495 31.3455 177.8108 81 Q 3.8985 8.5446 119.5807 59.5007 28.8784 178.2465 82 T 3.7624 8.0187 116.9236 66.4365 68.5041 176.3711 83 L 4.0931 7.9040 121.8358 58.3544 42.0431 179.2905 84 V 3.7545 7.8865 116.8289 65.8678 31.6299 177.1951 85 H 4.4644 8.3277 118.4505 59.1837 29.5588 177.1542 86 L 4.0740 7.9090 119.9222 57.0393 41.3764 177.7575 87 M 4.4492 7.1376 115.6295 55.0222 32.1704 176.7010 88 N 4.6837 7.5267 112.1843 52.2443 41.1202 177.3833 89 P 4.2098 0.0000 0.0000 66.1164 32.0900 179.0091 90 E 4.1511 8.2582 114.7481 58.0288 29.7274 180.9365 *91 Y 4.4870 7.5617 112.7731 58.1733 39.6376 181.0481 92 V 4.1956 7.4417 119.5376 60.6113 32.8178 174.3882 93 P 4.6637 0.0000 0.0000 61.5004 32.5906 175.7994 94 K 4.0083 7.8965 118.0067 55.3726 32.5563 175.4130 95 P 4.6271 0.0000 0.0000 62.9534 32.0836 175.2831 96 C 4.8503 8.3320 115.3147 56.2733 32.8877 172.4824 97 C 4.7836 8.7583 120.7682 56.8604 40.9927 172.2211 98 A 4.9561 8.8166 127.5910 49.1010 22.8364 173.0562 99 P 4.9150 0.0000 0.0000 63.1179 31.5676 176.8398 100 T 4.6727 9.3361 115.0432 62.2505 71.0348 175.1209 101 K 4.6819 7.8445 125.9326 53.9071 36.0717 180.2788 102 L 5.3378 8.6439 124.7667 52.1612 44.7956 175.9100 103 N 5.0432 9.3748 120.4611 51.8195 41.7560 174.0550 104 A 5.2135 8.3965 122.6644 50.9314 21.6503 176.3046 105 I 4.7119 8.7695 111.5714 59.7671 41.0865 174.5454 106 S 5.2448 8.8060 121.0047 57.3068 64.7405 173.6282 107 V 4.5338 9.1791 123.1420 61.0334 34.9875 173.8065 108 L 5.1329 8.8697 129.9864 53.7465 43.7199 174.6312 109 Y 5.4508 8.6774 124.3827 55.5428 42.1867 173.5393 110 F 5.9367 8.8104 113.7827 54.3651 40.9611 175.1815 111 D 5.0900 8.6675 119.7970 52.8957 40.6754 175.7555 112 D 4.9480 8.6477 115.4755 57.1840 41.4454 177.3101 113 N 4.7509 8.4331 114.3220 53.2478 38.3940 175.1954 114 S 3.9236 7.9304 111.8238 59.4092 60.9514 170.3703 115 N 4.6031 8.6030 119.4270 52.9017 39.3516 174.5754 116 V 4.3066 8.4203 124.8550 62.5333 32.2517 175.0841 117 I 4.3977 9.0492 129.7842 59.1383 40.7247 174.5121 118 L 4.9454 8.3034 126.8851 53.3302 43.9619 175.1655 119 K 4.5145 9.0632 128.4005 54.3456 35.1335 174.3696 120 K 4.8483 8.4591 128.2367 55.2051 33.7492 174.7225 121 Y 4.6523 9.2453 125.8354 56.4013 39.7348 175.8065 122 R 4.4627 8.7875 123.4771 55.4355 31.6689 175.7549 123 N 4.2322 8.4692 114.9846 55.1950 36.1163 175.0029 124 M 4.5632 8.1522 116.5182 55.6531 34.6794 177.7801 125 V 4.6652 8.2416 118.9853 60.8775 34.6776 174.8043 126 V 4.2212 8.4405 128.3340 62.5881 31.3950 175.1328 127 R 4.4988 9.2150 128.8842 57.7047 31.4160 176.1475 128 A 4.8136 7.7461 118.1812 50.5565 22.8541 175.7032 129 C 5.4335 8.4961 116.4072 55.5694 45.2385 173.0678 130 G 4.0203 8.9026 106.6700 46.0037 0.0000 171.4366 131 C 5.1236 9.0275 118.3027 55.9150 36.1556 174.2686 132 H 4.6548 8.5135 120.2894 55.9876 29.4873 173.4388 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 28 K 8.31 4.27 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 29 T 8.06 4.45 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 1.21 0.00 0.00 30 A 8.12 4.73 1.22 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 0.00 0.00 31 C 8.35 4.40 0.00 2.98 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 32 R 8.97 4.65 0.00 1.79 1.94 0.00 2.71 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.39 0.00 33 K 8.44 4.40 0.00 1.74 1.68 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.66 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 34 H 8.64 4.78 0.00 1.57 2.64 0.00 5.86 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 35 E 8.62 4.50 0.00 1.85 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 2.28 2.24 0.00 36 L 8.37 4.61 0.00 2.08 1.69 0.87 0.66 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 37 Y 8.71 4.81 0.00 2.97 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 38 V 7.69 4.06 1.03 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 0.50 0.00 0.00 0.52 0.00 0.00 39 S 8.18 4.55 0.00 3.94 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 40 F 8.72 4.51 0.00 3.39 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 41 Q 8.23 4.17 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 42 D 8.09 4.35 0.00 2.57 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 43 L 7.70 4.22 0.00 0.61 0.88 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.76 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 0.00 0.00 0.00 45 W 8.33 4.84 0.00 3.54 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 46 Q 7.96 3.94 0.00 2.42 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.88 0.00 47 D 9.00 4.51 0.00 2.57 2.24 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 48 W 8.64 3.87 0.00 2.97 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 49 I 7.57 4.74 1.97 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 1.03 0.00 0.00 50 I 8.69 4.26 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.00 0.00 0.00 51 A 7.45 4.59 1.31 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 0.00 0.00 0.00 52 P 0.00 5.04 0.00 2.58 2.21 0.00 4.04 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 53 K 8.71 4.51 0.00 1.97 2.00 0.00 1.88 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.49 7.81 54 G 7.99 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 55 Y 7.10 4.81 0.00 2.93 2.90 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 0.00 0.00 0.00 56 A 8.62 4.46 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 57 A 7.81 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.15 4.51 0.00 2.89 2.97 0.00 0.00 6.86 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 59 Y 7.87 4.84 0.00 2.98 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 60 C 8.77 4.99 0.00 2.90 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 61 D 8.46 4.44 0.00 2.83 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 0.00 0.00 0.00 0.00 62 G 8.89 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.63 4.04 0.00 2.04 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 2.27 2.25 0.00 64 C 8.40 4.72 0.00 3.03 2.90 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 0.00 0.00 0.00 65 S 7.88 4.27 0.00 3.89 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 66 F 8.06 4.50 0.00 3.11 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 67 P 0.00 4.72 0.00 2.09 2.04 0.00 3.67 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 2.06 2.16 0.00 68 L 8.46 4.77 0.00 1.70 1.52 0.55 0.86 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 69 N 8.54 4.84 0.00 2.69 2.66 0.00 0.00 7.07 7.99 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 70 A 8.62 4.32 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 71 H 8.12 4.98 0.00 3.28 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.13 4.58 0.00 1.98 1.83 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 2.55 2.49 0.00 73 N 8.49 4.88 0.00 2.81 2.77 0.00 0.00 6.53 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 74 A 7.62 5.43 1.22 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 0.00 0.00 75 T 7.88 4.87 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 1.22 0.00 0.00 76 N 8.67 4.29 0.00 2.82 2.95 0.00 0.00 6.42 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 77 H 8.42 3.99 0.00 3.20 3.32 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 78 A 8.02 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 3.61 2.13 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 1.55 1.28 1.13 0.00 0.00 80 V 7.93 3.62 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 1.05 0.00 0.00 0.94 0.00 0.00 81 Q 8.54 3.90 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 82 T 8.02 3.76 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 0.63 0.00 0.00 83 L 7.90 4.09 0.00 2.19 1.86 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.89 3.75 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 0.86 0.00 0.00 0.98 0.00 0.00 85 H 8.33 4.46 0.00 3.32 3.54 0.00 5.84 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 86 L 7.91 4.07 0.00 1.88 1.77 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.14 4.45 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 88 N 7.53 4.68 0.00 2.64 2.71 0.00 0.00 7.06 7.88 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 89 P 0.00 4.21 0.00 1.99 2.05 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 90 E 8.26 4.15 0.00 1.99 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 2.23 1.87 0.00 *91 Y 7.56 4.49 0.00 2.31 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 0.00 0.00 0.00 0.00 92 V 7.44 4.20 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 1.01 0.00 0.00 0.95 0.00 0.00 93 P 0.00 4.66 0.00 2.19 2.04 0.00 3.83 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 1.96 1.98 0.00 94 K 7.90 4.01 0.00 1.63 1.77 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.94 1.02 7.81 95 P 0.00 4.63 0.00 1.87 2.02 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 96 C 8.33 4.85 0.00 2.97 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 97 C 8.76 4.78 0.00 3.11 3.05 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 98 A 8.82 4.96 1.23 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 0.00 0.00 99 P 0.00 4.91 0.00 1.98 2.02 0.00 3.65 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 2.05 2.11 0.00 100 T 9.34 4.67 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 1.24 0.00 0.00 101 K 7.84 4.68 0.00 1.41 1.65 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.04 7.81 102 L 8.64 5.34 0.00 1.63 1.61 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.37 5.04 0.00 2.66 2.76 0.00 0.00 6.53 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 0.00 104 A 8.40 5.21 1.29 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 0.00 105 I 8.77 4.71 1.88 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.88 0.00 0.00 106 S 8.81 5.24 0.00 3.83 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 0.00 107 V 9.18 4.53 2.34 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 1.01 0.00 0.00 1.05 0.00 0.00 108 L 8.87 5.13 0.00 1.85 1.69 0.90 0.55 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 0.00 109 Y 8.68 5.45 0.00 3.17 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 0.00 110 F 8.81 5.94 0.00 3.17 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 0.00 111 D 8.67 5.09 0.00 2.78 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 0.00 112 D 8.65 4.95 0.00 2.79 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 0.00 113 N 8.43 4.75 0.00 2.86 2.87 0.00 0.00 6.98 7.57 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 0.00 114 S 7.93 3.92 0.00 4.07 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 0.00 115 N 8.60 4.60 0.00 3.04 2.72 0.00 0.00 6.68 7.21 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 0.00 116 V 8.42 4.31 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 0.76 0.00 0.00 0.94 0.00 0.00 117 I 9.05 4.40 0.61 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 0.93 0.64 0.62 0.00 0.00 118 L 8.30 4.95 0.00 1.53 1.48 0.93 0.51 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 0.00 119 K 9.06 4.51 0.00 1.91 1.60 0.00 1.59 0.00 0.00 1.14 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.56 1.08 7.81 120 K 8.46 4.85 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.47 7.81 121 Y 9.25 4.65 0.00 3.03 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 0.00 122 R 8.79 4.46 0.00 1.74 1.89 0.00 3.37 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 123 N 8.47 4.23 0.00 2.89 2.91 0.00 0.00 6.85 7.66 0.00 0.00 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 M 8.15 4.56 0.00 1.81 2.13 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 125 V 8.24 4.67 2.17 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 0.89 0.00 0.00 1.15 0.00 0.00 126 V 8.44 4.22 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 0.76 0.00 0.00 0.97 0.00 0.00 127 R 9.21 4.50 0.00 1.88 1.93 0.00 3.36 0.00 0.00 3.44 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 128 A 7.75 4.81 1.20 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 0.00 0.00 129 C 8.50 5.43 0.00 2.78 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 0.00 130 G 8.90 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 0.00 131 C 9.03 5.12 0.00 2.77 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 0.00 132 H 8.51 4.65 0.00 3.03 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.73 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.