NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4106 8.1749 110.9519 61.1706 70.7995 174.1674 -4 E 5.4145 8.2267 119.5611 54.4955 30.6669 174.0092 -3 F 4.8716 9.0908 122.1703 56.2745 42.4566 173.7552 -2 K 4.0818 7.7098 126.6023 53.6585 34.9281 176.0340 -1 A 4.0536 7.2507 124.8350 51.7782 19.6286 177.0762 -4 G 5.0245 8.1367 108.1611 42.9955 0.0000 172.3092 -3 S 4.7216 9.1008 117.5703 56.8745 66.6566 172.5553 -2 A 4.0818 7.6598 130.0023 49.9585 20.9281 177.2339 -1 K 4.0536 7.3007 121.4350 55.4782 33.6286 175.8762 5 K 4.1728 8.1185 119.5406 59.5545 32.2123 178.8506 6 G 3.7187 8.1950 105.2684 47.6423 0.0000 175.1776 7 A 2.5800 7.7671 122.7751 54.8156 18.4179 179.6958 8 T 3.9182 7.6748 107.4787 64.4239 69.0388 176.8808 9 L 3.9316 7.8220 122.1324 57.5556 41.5902 178.9348 10 F 3.8771 8.0107 120.5456 61.1300 37.9356 176.8029 11 K 3.9041 7.8573 118.8069 60.0254 31.8034 178.7852 12 T 4.1608 7.6962 107.9443 63.7388 68.9093 175.2167 13 R 4.5908 8.1780 118.4283 55.7324 32.7289 175.9303 14 C 4.3319 7.9745 114.2112 59.3995 30.5066 175.9491 15 L 4.0203 6.6980 121.2426 57.2017 41.8575 178.5072 16 Q 3.9136 8.0187 118.6261 58.8425 28.9530 176.4668 17 C 4.8713 8.0604 111.9456 59.5378 30.4939 173.4042 18 H 5.3820 8.0722 115.4321 54.4610 33.4878 172.2615 19 T 5.0719 8.6328 109.1074 60.3849 71.8022 174.7627 20 V 4.2672 8.4933 113.6085 60.7296 34.0701 176.5069 21 E 4.1291 7.9219 118.2541 55.1919 30.3101 176.0262 22 K 3.8293 8.2007 122.5947 58.0891 32.3694 176.9549 23 G 3.8808 9.0701 114.3763 45.3720 0.0000 173.0011 24 G 3.9520 7.6609 108.2591 43.5435 0.0000 172.4182 25 P 4.5709 0.0000 0.0000 61.5373 32.7953 175.5712 26 H 4.8216 8.2796 115.8994 55.9117 30.3903 175.9664 27 K 4.7177 8.6113 122.6528 56.1902 32.1073 178.7521 28 V 3.7347 8.9870 127.0073 65.8597 31.4838 175.6194 29 G 3.9766 8.0242 107.9387 42.2149 0.0000 170.7324 30 P 4.0857 0.0000 0.0000 61.6795 31.8950 175.9576 31 N 4.5470 8.8232 118.6061 54.1169 39.6080 174.6819 32 L 4.3871 8.6599 123.5619 54.3785 42.3126 176.0210 33 H 4.1535 8.0232 119.3631 57.7647 30.0023 174.7643 34 G 3.9733 8.8993 113.8565 46.4648 0.0000 174.7053 35 I 3.6056 7.5624 122.6954 63.2935 38.0967 176.3529 36 F 4.6218 7.7335 119.3281 58.6615 39.0461 175.3216 37 G 4.0384 9.6002 115.8445 44.7818 0.0000 173.4181 38 R 4.5772 7.6974 116.1133 55.3494 31.9712 175.7682 39 H 5.1524 8.5660 117.3410 54.6533 30.4180 175.3341 40 S 4.3429 8.5503 115.5065 58.9330 63.7167 174.1401 41 G 2.0153 7.6539 108.1773 46.3920 0.0000 174.3141 42 Q 4.4988 7.9057 114.8196 54.9802 29.4934 175.4710 43 A 4.3441 8.7085 123.7418 51.7161 19.0369 177.4115 44 E 4.4668 8.7919 121.3472 56.8253 30.9537 176.9351 45 G 3.9952 9.1858 108.9922 45.4726 0.0000 172.1828 46 Y 4.5044 7.3301 118.7778 55.5180 40.6456 176.0743 47 S 4.3336 7.1591 122.0588 57.1462 61.0150 173.0289 48 Y 4.6352 8.1555 123.5143 57.0054 38.5852 176.1224 49 T 4.3771 8.3897 111.9437 61.3321 71.3144 175.3313 50 D 4.4177 8.6629 121.1773 57.4728 40.8302 178.6264 51 A 3.9791 8.0865 120.6976 55.3426 18.1483 178.7153 52 N 4.2225 7.8994 113.5068 57.0345 39.3856 176.5485 53 I 3.7129 7.3105 119.6363 64.6372 37.0940 178.5351 54 K 4.1573 7.8942 116.7267 58.4955 31.9628 179.0565 55 K 3.8763 7.8489 119.8693 57.2307 32.8370 176.0838 56 N 3.9366 7.5193 115.0044 54.1359 37.9976 174.2771 57 V 3.4072 7.3589 117.7350 62.7226 33.1555 174.9448 58 L 4.4536 7.9413 129.7303 53.2971 43.0290 175.7243 59 W 4.7591 8.8622 128.6012 56.5820 30.0987 175.4036 60 D 5.4267 8.9226 123.5041 50.5628 42.3810 175.9773 61 E 3.6483 9.0235 118.3154 59.9907 28.8748 179.4848 62 N 4.5080 8.2315 116.4325 56.1046 38.8024 177.0164 63 N 4.3042 8.9134 118.2299 56.6461 38.6611 177.0260 64 M 4.1555 8.3067 119.5587 58.9197 32.0278 178.2167 65 S 4.1638 7.4932 110.8815 61.4005 62.9724 175.7459 66 E 4.1083 7.6849 120.8033 59.4250 29.3411 178.4824 67 Y 4.0226 8.5475 120.6872 60.9141 38.8618 178.4008 68 L 4.0887 8.4219 119.5122 57.5097 41.3782 179.6651 69 T 4.2928 7.5811 116.9296 65.0583 69.4353 173.9075 70 N 4.4454 7.9268 114.4070 52.1086 41.0683 173.0320 71 P 4.2198 0.0000 0.0000 62.9503 31.2400 178.6893 *73 K 4.0831 8.0724 121.4123 57.3589 33.8284 176.3560 74 Y 4.2488 8.5070 118.9192 60.0563 39.0525 175.8018 75 I 4.5168 8.6299 122.3032 57.9243 37.5102 171.4360 76 P 4.4211 0.0000 0.0000 63.9351 31.7820 177.0143 77 G 4.0474 9.0288 111.6664 45.2556 0.0000 173.6535 78 T 4.0630 7.7891 114.8454 62.2831 67.7564 173.6763 79 K 4.3443 8.6111 125.8617 56.8337 33.0440 176.1481 80 M 4.1083 7.9217 119.5111 56.0239 32.0744 176.9684 81 A 4.4653 8.3777 135.0000 51.3183 17.8464 176.4852 82 F 4.9502 7.6246 123.0199 55.5043 42.6840 174.9117 83 G 3.3648 8.3379 117.4542 49.4497 0.0000 173.0276 84 G 4.0278 5.3800 103.9870 42.6278 0.0000 172.5947 85 M 4.5536 8.6935 121.0527 53.4137 32.6212 176.3557 86 K 4.1050 8.4929 126.5112 58.5391 33.0012 178.7159 87 K 4.2747 7.9076 119.3886 55.6033 33.2821 177.4594 88 E 4.0607 8.8568 125.2135 58.9879 29.7265 178.8947 89 K 3.9439 8.0326 118.7003 60.0230 32.6836 178.7451 90 D 4.3974 8.0822 119.6073 57.2500 40.8395 178.8748 91 R 4.0557 8.1752 118.4925 59.2620 30.1537 178.8083 92 N 4.7433 9.0518 116.8199 56.5625 38.6271 177.1062 93 D 4.4348 8.2794 120.1484 57.3518 40.9825 178.7383 94 L 4.0949 8.0933 120.6903 58.4268 42.1138 179.1041 95 I 4.0155 8.1208 119.6919 64.5358 37.0138 178.6352 96 T 3.8915 8.0927 116.7737 66.5872 68.2102 176.1856 97 Y 4.0288 7.9872 121.3017 60.5854 38.8332 177.6950 98 L 3.7065 8.4966 120.1537 57.9549 41.6245 179.5864 99 K 3.3575 8.2468 117.3912 59.1942 31.8982 178.8032 100 K 4.0683 7.0562 116.3089 58.4738 32.5418 178.4990 101 A 4.0581 7.6577 120.1769 53.7457 18.8095 178.5676 102 T 4.1533 7.6722 107.4513 61.6774 68.9153 174.7015 103 E 4.0339 7.7763 127.6759 56.6822 29.7744 175.8269 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 -5 T 8.17 4.41 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 1.23 0.00 0.00 -4 E 8.23 5.41 0.00 2.08 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 2.24 2.38 0.00 -3 F 9.09 4.87 0.00 2.97 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 -2 K 7.71 4.08 0.00 1.52 1.44 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.26 7.81 -1 A 7.25 4.05 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 -4 G 8.14 5.02 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 -3 S 9.10 4.72 0.00 3.72 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 -2 A 7.66 4.08 1.18 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 -1 K 7.30 4.05 0.00 1.59 1.48 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 5 K 8.12 4.17 0.00 1.88 2.02 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.85 1.59 7.81 6 G 8.20 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 0.00 0.00 0.00 7 A 7.77 2.58 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 8 T 7.67 3.92 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 1.18 0.00 0.00 9 L 7.82 3.93 0.00 1.91 1.79 1.00 0.71 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 10 F 8.01 3.88 0.00 3.02 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 11 K 7.86 3.90 0.00 1.96 1.78 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 T 7.70 4.16 4.23 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 1.23 0.00 0.00 13 R 8.18 4.59 0.00 1.72 2.11 0.00 3.39 0.00 0.00 3.28 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 14 C 7.97 4.33 0.00 1.23 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 0.00 0.00 0.00 0.00 15 L 6.70 4.02 0.00 1.84 1.71 1.21 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.02 3.91 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 17 C 8.06 4.87 0.00 2.72 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 18 H 8.07 5.38 0.00 3.31 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.63 5.07 4.61 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 1.27 0.00 0.00 20 V 8.49 4.27 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 0.10 0.00 0.00 0.80 0.00 0.00 21 E 7.92 4.13 0.00 2.08 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 2.43 2.23 0.00 22 K 8.20 3.83 0.00 1.02 1.56 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.41 7.81 23 G 9.07 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 24 G 7.66 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 0.00 0.00 0.00 25 P 0.00 4.57 0.00 2.17 2.05 0.00 3.52 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 26 H 8.28 4.82 0.00 3.29 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.61 4.72 0.00 1.80 0.94 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.52 7.81 28 V 8.99 3.73 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 0.79 0.00 0.00 0.93 0.00 0.00 29 G 8.02 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 0.00 0.00 0.00 30 P 0.00 4.09 0.00 1.84 0.95 0.00 3.53 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.17 0.00 31 N 8.82 4.55 0.00 2.86 2.80 0.00 0.00 6.96 7.78 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 32 L 8.66 4.39 0.00 1.62 1.44 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.02 4.15 0.00 3.15 3.22 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.90 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 35 I 7.56 3.61 1.71 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 0.38 0.52 0.20 0.00 0.00 36 F 7.73 4.62 0.00 3.08 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 37 G 9.60 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 38 R 7.70 4.58 0.00 1.98 2.09 0.00 2.82 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 39 H 8.57 5.15 0.00 2.95 3.20 0.00 5.90 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 40 S 8.55 4.34 0.00 4.06 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 41 G 7.65 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.91 4.50 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 43 A 8.71 4.34 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 44 E 8.79 4.47 0.00 2.17 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 2.31 2.36 0.00 45 G 9.19 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 46 Y 7.33 4.50 0.00 2.44 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 47 S 7.16 4.33 0.00 3.66 3.40 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 0.00 48 Y 8.16 4.64 0.00 3.08 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 49 T 8.39 4.38 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 1.33 0.00 0.00 50 D 8.66 4.42 0.00 2.81 2.78 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 51 A 8.09 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.22 0.00 2.95 3.05 0.00 0.00 7.37 7.26 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 53 I 7.31 3.71 2.04 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 1.37 1.22 0.87 0.00 0.00 54 K 7.89 4.16 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 55 K 7.85 3.88 0.00 1.78 2.02 0.00 1.59 0.00 0.00 1.39 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.27 7.81 56 N 7.52 3.94 0.00 2.88 2.67 0.00 0.00 7.18 7.59 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 57 V 7.36 3.41 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 0.00 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 58 L 7.94 4.45 0.00 1.47 1.41 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.86 4.76 0.00 3.34 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 60 D 8.92 5.43 0.00 2.80 2.79 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 61 E 9.02 3.65 0.00 1.16 1.43 0.00 0.00 0.00 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 2.34 0.00 62 N 8.23 4.51 0.00 3.10 2.96 0.00 0.00 7.17 6.92 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 63 N 8.91 4.30 0.00 3.21 2.94 0.00 0.00 6.70 7.27 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 64 M 8.31 4.16 0.00 2.58 2.34 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 65 S 7.49 4.16 0.00 4.16 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 66 E 7.68 4.11 0.00 2.29 1.71 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 2.47 2.44 0.00 67 Y 8.55 4.02 0.00 2.75 3.21 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 0.00 68 L 8.42 4.09 0.00 1.76 1.79 0.94 0.47 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 69 T 7.58 4.29 4.41 0.00 0.00 0.00 0.00 0.00 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 70 N 7.93 4.45 0.00 2.71 2.69 0.00 0.00 6.94 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 71 P 0.00 4.22 0.00 2.19 1.15 0.00 3.87 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 2.27 1.83 0.00 *73 K 8.07 4.08 0.00 1.80 2.17 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.58 7.81 74 Y 8.51 4.25 0.00 3.22 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 75 I 8.63 4.52 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.98 0.00 0.00 76 P 0.00 4.42 0.00 2.05 2.03 0.00 3.62 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 2.23 0.00 77 G 9.03 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 78 T 7.79 4.06 4.52 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 1.45 0.00 0.00 79 K 8.61 4.34 0.00 1.96 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 80 M 7.92 4.11 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 81 A 8.38 4.47 1.30 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 0.00 0.00 0.00 82 F 7.62 4.95 0.00 2.87 2.82 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 83 G 8.34 3.36 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 0.00 84 G 5.38 4.03 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 0.00 0.00 0.00 85 M 8.69 4.55 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 86 K 8.49 4.10 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.38 7.81 87 K 7.91 4.27 0.00 2.02 1.76 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 88 E 8.86 4.06 0.00 2.07 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 2.40 2.42 0.00 89 K 8.03 3.94 0.00 2.03 2.07 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 90 D 8.08 4.40 0.00 2.95 2.81 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 0.00 0.00 0.00 0.00 91 R 8.18 4.06 0.00 2.13 2.09 0.00 3.28 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 92 N 9.05 4.74 0.00 2.84 3.03 0.00 0.00 7.03 8.61 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 93 D 8.28 4.43 0.00 3.02 2.78 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 94 L 8.09 4.09 0.00 1.87 1.76 1.21 1.17 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 95 I 8.12 4.02 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.16 0.00 0.00 96 T 8.09 3.89 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 1.30 0.00 0.00 97 Y 7.99 4.03 0.00 3.30 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 98 L 8.50 3.71 0.00 1.91 1.96 1.01 0.96 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 99 K 8.25 3.36 0.00 1.59 1.60 0.00 1.24 0.00 0.00 0.90 0.00 0.00 3.08 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.30 0.76 7.81 100 K 7.06 4.07 0.00 1.75 1.71 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 101 A 7.66 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.67 4.15 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 1.13 0.00 0.00 103 E 7.78 4.03 0.00 1.84 1.78 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 2.21 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.