NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3785 8.3349 115.4078 56.9583 63.1754 172.5349 3 N 3.9575 7.6089 125.6821 54.5211 41.8029 172.3724 4 T 4.3071 8.3185 112.4695 63.5872 72.8585 173.0533 5 L 4.7674 8.9640 123.8457 55.1825 44.6469 176.3079 6 F 5.2872 7.7438 118.4250 57.0071 43.4245 172.8396 7 D 4.8298 6.0500 119.1200 53.2647 44.0305 174.0939 8 D 4.5097 7.5287 126.0036 54.5025 44.5097 174.6152 9 I 5.1515 7.4017 121.5364 59.5213 40.0930 175.0388 10 F 5.2932 10.2804 125.4557 55.8875 42.4246 174.8671 11 Q 4.7289 9.8582 124.7627 54.4083 29.5680 174.1161 12 V 4.0358 8.6207 127.4187 63.5591 31.9769 176.0029 13 S 4.6578 8.8046 122.5393 57.9488 64.1342 173.9748 14 E 5.1019 7.1288 122.3190 56.0502 32.5690 175.1602 15 V 4.5283 8.5802 126.1754 61.3012 34.0122 173.7534 16 D 4.9381 8.9183 129.1543 52.1471 42.2467 175.3177 17 P 3.9459 0.0000 0.0000 63.6789 32.3242 176.3707 18 G 3.6797 9.0947 100.7153 47.4720 0.0000 171.9956 19 R 3.5732 8.1012 119.0629 57.2109 28.7159 176.0404 20 Y 4.7888 7.9934 115.3281 57.0650 39.3534 175.0467 21 N 5.0514 8.7769 116.2755 53.1189 40.9244 175.3754 22 K 4.7074 8.0506 114.7481 55.4472 34.8854 175.7463 23 V 4.9354 7.8567 119.1500 61.2345 34.6717 174.2628 24 C 5.1110 8.7120 122.5750 58.0777 33.1003 172.8604 25 R 4.9361 9.4004 123.3551 55.1767 31.2508 175.0363 26 I 4.8939 9.0730 128.3636 59.8355 40.1322 174.8450 27 E 5.5385 9.1926 125.1502 53.6049 32.1432 173.8345 28 A 5.4571 8.5827 128.3904 50.1644 22.0401 175.1826 29 A 4.5150 9.0212 123.4198 51.4660 20.6810 176.2585 30 S 4.1406 7.8704 113.0601 57.1406 63.4839 174.4347 31 T 4.0705 7.9778 123.2262 63.8294 69.2230 176.9841 32 T 3.4162 8.5730 121.7163 63.7996 66.0102 175.4438 33 Q 3.9451 8.8432 133.2903 57.5775 28.4194 177.0842 34 D 4.5546 8.6712 122.7832 56.1699 40.5278 177.2332 35 Q 4.0725 7.0982 118.4854 56.6232 29.5979 175.0770 36 C 4.3390 7.7615 115.0206 59.4294 33.3239 173.1696 37 K 5.0347 8.6286 124.3359 55.1835 36.9733 174.3683 38 L 4.7271 8.2020 118.9518 54.7401 46.1660 174.0172 39 T 5.1370 8.4238 121.9017 61.7780 71.8725 172.7149 40 L 5.2417 9.3116 128.1761 53.5666 46.1274 174.4776 41 D 5.2353 8.6050 125.0915 53.7505 42.4716 176.2670 42 I 4.4477 8.4563 122.6304 59.7107 42.0951 174.5193 43 N 4.6062 10.1115 126.6123 53.4320 37.1417 175.0334 44 V 3.6498 8.7059 124.8728 65.6857 31.9415 178.0262 45 E 3.9168 8.3701 117.3792 59.1497 29.2579 177.8337 46 L 4.5746 7.7362 115.3397 54.5275 42.8521 176.4220 47 F 4.9258 8.3056 116.2219 56.4635 41.6307 171.3153 48 P 4.2971 0.0000 0.0000 62.9944 32.4118 176.2828 49 V 4.2292 7.7455 117.8537 61.4318 34.4761 173.5490 50 A 4.6543 8.8618 127.5195 49.5722 22.4401 175.3279 51 A 4.1422 8.4703 122.2337 52.8179 18.7483 177.3707 52 Q 3.1474 8.6429 114.2209 56.7736 27.1762 174.7242 53 D 4.8402 7.7373 119.5356 53.9011 43.0262 175.7603 54 S 5.5250 8.2806 113.0670 56.3792 64.2348 173.3599 55 L 4.7846 8.5779 125.7035 54.0073 44.3614 175.5896 56 T 4.9512 8.1174 119.1055 62.1400 70.2532 173.7860 57 V 4.6437 9.4587 127.5402 61.6333 33.8888 174.1975 58 T 5.1927 8.6147 125.2255 61.7234 70.5761 173.9609 59 I 4.1955 9.3734 128.7739 57.8838 36.7619 179.7392 60 A 3.8191 9.1334 127.2178 52.6222 17.8050 178.9095 61 S 4.5591 8.1098 109.1798 57.9703 63.0700 174.5855 62 S 4.1438 7.9085 115.0012 59.1811 66.0244 175.3358 63 L 3.2541 7.2258 116.8434 56.9312 37.0117 176.1929 *76 T 4.2167 7.4531 112.6074 62.1656 70.6530 171.1270 77 R 3.8747 8.2038 127.5179 54.9777 30.0760 176.1929 78 S 4.4073 8.5897 115.8057 58.3389 63.5896 172.8440 79 W 4.8639 8.5614 129.6868 55.7786 32.0655 175.0748 80 R 4.3419 7.3981 122.4682 53.8227 31.6724 173.1872 81 P 3.7821 0.0000 0.0000 63.0482 33.1638 177.8184 82 P 4.7724 0.0000 0.0000 60.5621 30.7684 177.7433 83 Q 3.4485 9.0712 114.8969 57.5896 27.8203 175.6229 84 A 4.0391 7.5689 118.7670 54.6327 18.6580 179.3189 85 G 3.7718 7.9020 103.3664 47.3550 0.0000 173.5484 86 D 4.7564 7.6606 118.0686 54.9855 43.5380 177.0134 87 R 4.6115 6.9917 114.3154 55.2278 29.0974 177.6297 88 S 4.2376 8.8707 119.5899 59.5572 62.3471 175.4317 89 L 4.4907 7.7184 124.1000 54.6077 40.7540 179.7739 90 A 4.2693 7.8418 114.6308 52.4378 18.2575 178.0607 91 D 4.9340 9.3818 121.3563 53.4882 39.5143 175.0240 92 D 4.7949 8.9528 124.5477 54.5718 41.1300 175.6719 93 Y 4.8477 7.9147 117.4350 56.5596 40.6120 173.0016 94 D 4.8288 8.0851 117.6558 56.5548 42.3169 176.4165 95 Y 3.8052 7.1779 118.7081 57.6495 40.5240 174.8996 96 V 4.6579 7.5065 126.2477 62.6694 34.1335 172.8937 97 M 4.5504 8.4134 129.1986 54.3981 35.6184 174.5796 98 Y 4.6218 8.3613 118.0963 58.1278 40.2106 173.0805 99 G 3.8996 8.2885 118.5169 44.7461 0.0000 170.2178 100 T 4.9884 8.2943 115.5596 61.5760 72.4731 173.7703 101 A 4.7696 8.3942 126.5854 50.0834 19.2508 176.5813 102 Y 4.6653 8.2537 120.7458 57.1404 39.1235 175.7637 103 K 3.6609 7.7857 118.8146 58.2190 32.5096 177.1057 104 F 4.3468 8.9630 125.0959 55.3343 37.7509 174.5410 105 E 4.4963 8.1141 126.2995 54.9164 27.7944 177.4786 106 E 3.9020 8.5658 120.9085 57.9342 30.0778 177.9571 107 V 3.3523 7.4269 115.2193 63.0801 30.8848 172.9854 108 S 4.2069 8.0670 111.8338 58.9963 64.8932 174.9473 109 K 3.6912 9.2492 123.6447 57.4966 31.1102 175.1689 110 D 4.8846 9.2792 126.2048 54.4022 43.5935 175.6048 111 L 4.6883 7.7099 119.2071 53.3723 43.3209 176.7158 112 I 4.2851 8.3549 123.6788 59.7556 38.4052 174.1389 113 A 5.2866 8.1763 129.2015 50.2066 20.8100 176.1925 114 V 4.3779 8.0328 114.2767 59.6043 35.3930 174.1253 115 Y 4.9803 8.1459 119.2176 56.4340 41.3108 174.3499 116 Y 5.0117 8.9788 119.5824 56.2579 42.7600 174.5661 117 S 4.7176 9.4466 117.1099 56.8942 65.3267 173.0672 118 F 4.5345 10.1041 129.6420 56.4570 37.9108 176.3736 119 G 4.1256 9.1545 112.8551 46.6761 0.0000 171.1766 120 G 3.9524 7.2253 111.2195 45.5950 0.0000 175.5450 121 L 4.2773 8.5573 121.8719 54.1700 42.3290 176.1390 122 L 5.0879 9.3683 124.2068 54.0707 44.4045 175.2657 123 M 5.3632 8.9794 119.4540 54.5792 36.2984 173.8655 124 R 4.6018 8.9310 125.2046 55.1091 33.6118 173.5622 125 L 4.6840 8.2908 126.3925 53.4025 44.6221 175.7614 126 E 4.7285 8.5950 121.7469 53.4244 32.0390 174.6691 127 G 4.1048 8.3134 117.3855 44.9747 0.0000 172.8632 128 N 4.2741 7.5866 130.4664 53.6821 41.2380 174.0225 129 Y 4.4460 5.6927 114.7375 57.7569 38.9484 176.5125 130 R 4.4494 7.2819 119.2068 56.9043 30.2135 177.6606 131 N 4.6151 7.5748 115.6504 55.8030 38.5944 175.6775 132 L 4.7842 7.7424 114.4373 54.2869 42.8871 176.8270 133 N 4.6127 7.9590 117.0279 55.0340 39.2156 176.3644 134 N 4.7559 7.6855 117.3275 52.7232 40.0975 174.7135 135 L 4.4821 8.1655 119.9708 54.1511 43.0306 176.7377 136 K 4.4598 8.4553 117.3987 56.1185 32.7183 174.9852 137 Q 4.4221 7.4692 115.0170 55.4762 31.4313 174.4369 138 E 3.3554 9.7138 115.7080 59.6796 30.5369 177.3580 139 N 4.7412 8.2418 124.5652 51.0868 37.9376 174.5848 140 A 4.7246 8.9638 124.3315 51.3537 23.0226 175.2319 141 Y 4.7404 8.7098 119.4010 56.7384 41.1567 174.7996 142 L 4.7899 8.6339 121.4870 53.7549 45.2091 174.7657 143 L 5.0635 8.8613 127.1601 52.9345 44.5028 175.9490 144 I 5.9615 8.8824 122.8420 58.5535 41.2563 174.4886 145 R 5.0735 8.4070 120.9865 55.5137 33.1204 175.5241 146 R 4.2188 9.5586 120.0516 57.0265 30.9040 176.0512 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 2 S 8.33 4.38 0.00 3.99 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 3 N 7.61 3.96 0.00 2.88 2.86 0.00 0.00 7.08 6.65 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 4 T 8.32 4.31 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 1.26 0.00 0.00 5 L 8.96 4.77 0.00 1.73 1.92 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.74 5.29 0.00 3.15 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 7 D 6.05 4.83 0.00 2.57 2.28 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 0.00 8 D 7.53 4.51 0.00 2.50 2.38 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 9 I 7.40 5.15 1.84 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 0.88 1.02 0.00 0.00 10 F 10.28 5.29 0.00 2.86 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 11 Q 9.86 4.73 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 12 V 8.62 4.04 2.27 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 1.00 0.00 0.00 0.97 0.00 0.00 13 S 8.80 4.66 0.00 3.95 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 14 E 7.13 5.10 0.00 2.08 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 2.14 2.10 0.00 15 V 8.58 4.53 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 0.84 0.00 0.00 0.92 0.00 0.00 16 D 8.92 4.94 0.00 2.86 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 17 P 0.00 3.95 0.00 2.26 2.19 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 18 G 9.09 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 19 R 8.10 3.57 0.00 1.65 1.75 0.00 3.29 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 20 Y 7.99 4.79 0.00 3.29 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 21 N 8.78 5.05 0.00 2.72 2.85 0.00 0.00 6.71 7.61 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 22 K 8.05 4.71 0.00 1.66 1.78 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 V 7.86 4.94 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 0.68 0.00 0.00 0.81 0.00 0.00 24 C 8.71 5.11 0.00 2.89 2.80 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 0.00 0.00 0.00 25 R 9.40 4.94 0.00 1.90 1.85 0.00 3.12 0.00 0.00 3.21 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 26 I 9.07 4.89 1.83 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 1.10 0.73 0.91 0.00 0.00 27 E 9.19 5.54 0.00 2.05 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 2.22 2.31 0.00 28 A 8.58 5.46 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.02 4.51 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.14 0.00 3.57 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 31 T 7.98 4.07 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 1.16 0.00 0.00 32 T 8.57 3.42 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 1.13 0.00 0.00 33 Q 8.84 3.95 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 34 D 8.67 4.55 0.00 2.68 2.74 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 35 Q 7.10 4.07 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 36 C 7.76 4.34 0.00 3.38 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 37 K 8.63 5.03 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.64 7.81 38 L 8.20 4.73 0.00 1.70 1.53 0.80 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.42 5.14 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 40 L 9.31 5.24 0.00 1.60 1.33 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.60 5.24 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 42 I 8.46 4.45 1.77 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 0.54 0.71 0.69 0.00 0.00 43 N 10.11 4.61 0.00 2.77 2.91 0.00 0.00 6.44 8.29 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 44 V 8.71 3.65 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 0.98 0.00 0.00 0.97 0.00 0.00 45 E 8.37 3.92 0.00 2.27 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 2.35 2.40 0.00 46 L 7.74 4.57 0.00 1.73 1.73 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.31 4.93 0.00 3.18 3.30 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 48 P 0.00 4.30 0.00 1.96 1.95 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 49 V 7.75 4.23 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 0.71 0.00 0.00 0.75 0.00 0.00 50 A 8.86 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.47 4.14 1.28 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 0.00 0.00 0.00 52 Q 8.64 3.15 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 53 D 7.74 4.84 0.00 2.76 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 54 S 8.28 5.52 0.00 3.84 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 55 L 8.58 4.78 0.00 1.76 1.75 1.00 1.00 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 56 T 8.12 4.95 4.38 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 1.30 0.00 0.00 57 V 9.46 4.64 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 0.99 0.00 0.00 0.83 0.00 0.00 58 T 8.61 5.19 4.12 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 1.28 0.00 0.00 59 I 9.37 4.20 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.97 0.00 0.00 60 A 9.13 3.82 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 61 S 8.11 4.56 0.00 4.04 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 62 S 7.91 4.14 0.00 3.88 3.80 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 0.00 0.00 0.00 63 L 7.23 3.25 0.00 1.64 1.87 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.45 4.22 4.34 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 1.33 0.00 0.00 77 R 8.20 3.87 0.00 2.01 1.97 0.00 3.24 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 78 S 8.59 4.41 0.00 4.07 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 79 W 8.56 4.86 0.00 3.23 3.18 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 80 R 7.40 4.34 0.00 1.47 1.52 0.00 3.14 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 81 P 0.00 3.78 0.00 1.88 1.84 0.00 3.43 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 82 P 0.00 4.77 0.00 2.12 1.57 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 83 Q 9.07 3.45 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 84 A 7.57 4.04 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 85 G 7.90 3.77 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 0.00 0.00 0.00 86 D 7.66 4.76 0.00 2.62 2.88 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 87 R 6.99 4.61 0.00 1.84 0.97 0.00 3.31 0.00 0.00 3.25 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.87 4.24 0.00 3.94 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 89 L 7.72 4.49 0.00 1.74 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.84 4.27 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 91 D 9.38 4.93 0.00 2.89 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 92 D 8.95 4.79 0.00 2.39 2.49 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 93 Y 7.91 4.85 0.00 2.81 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 94 D 8.09 4.83 0.00 2.51 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 95 Y 7.18 3.81 0.00 1.71 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 0.00 0.00 0.00 96 V 7.51 4.66 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 0.85 0.00 0.00 0.90 0.00 0.00 97 M 8.41 4.55 0.00 1.61 1.27 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.25 0.00 98 Y 8.36 4.62 0.00 2.05 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 99 G 8.29 3.90 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 0.00 0.00 0.00 100 T 8.29 4.99 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 1.20 0.00 0.00 101 A 8.39 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.25 4.67 0.00 2.95 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 0.00 103 K 7.79 3.66 0.00 1.44 1.96 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.01 1.05 7.81 104 F 8.96 4.35 0.00 2.68 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 0.00 105 E 8.11 4.50 0.00 2.04 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 2.35 2.31 0.00 106 E 8.57 3.90 0.00 1.99 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 0.00 2.45 2.81 0.00 107 V 7.43 3.35 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 0.74 0.00 0.00 0.96 0.00 0.00 108 S 8.07 4.21 0.00 4.04 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 0.00 109 K 9.25 3.69 0.00 1.87 1.53 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.44 7.81 110 D 9.28 4.88 0.00 2.62 2.66 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 0.00 0.00 0.00 0.00 111 L 7.71 4.69 0.00 1.52 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.35 4.29 1.76 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 1.12 1.20 0.84 0.00 0.00 113 A 8.18 5.29 1.12 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 0.00 0.00 114 V 8.03 4.38 1.79 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 0.84 0.00 0.00 0.74 0.00 0.00 115 Y 8.15 4.98 0.00 2.10 1.72 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 0.00 116 Y 8.98 5.01 0.00 2.94 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 0.00 117 S 9.45 4.72 0.00 3.59 3.62 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 0.00 118 F 10.10 4.53 0.00 3.02 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 0.00 119 G 9.15 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 0.00 0.00 0.00 120 G 7.23 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 0.00 121 L 8.56 4.28 0.00 1.96 1.70 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.37 5.09 0.00 1.75 1.82 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.98 5.36 0.00 2.53 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 124 R 8.93 4.60 0.00 1.50 1.50 0.00 2.76 0.00 0.00 2.95 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 125 L 8.29 4.68 0.00 1.49 1.34 0.34 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.59 4.73 0.00 2.01 1.76 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 2.15 2.17 0.00 127 G 8.31 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 0.00 0.00 0.00 128 N 7.59 4.27 0.00 2.59 2.79 0.00 0.00 6.84 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 0.00 129 Y 5.69 4.45 0.00 3.35 3.28 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 0.00 130 R 7.28 4.45 0.00 1.75 1.94 0.00 2.86 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.09 0.00 131 N 7.57 4.62 0.00 2.77 2.91 0.00 0.00 6.67 7.73 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 0.00 132 L 7.74 4.78 0.00 1.62 1.65 0.95 1.03 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 0.00 133 N 7.96 4.61 0.00 2.80 2.90 0.00 0.00 6.92 7.97 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 0.00 134 N 7.69 4.76 0.00 2.71 2.81 0.00 0.00 6.87 7.85 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 0.00 135 L 8.17 4.48 0.00 1.73 1.75 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.46 4.46 0.00 1.64 1.71 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.33 7.81 137 Q 7.47 4.42 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 138 E 9.71 3.36 0.00 2.06 1.76 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 2.37 2.32 0.00 139 N 8.24 4.74 0.00 2.83 2.96 0.00 0.00 6.60 7.35 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 0.00 140 A 8.96 4.72 1.28 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 0.00 0.00 0.00 141 Y 8.71 4.74 0.00 2.93 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 0.00 142 L 8.63 4.79 0.00 1.67 1.12 0.87 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.86 5.06 0.00 0.42 0.42 0.47 0.42 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 0.00 144 I 8.88 5.96 1.58 0.00 0.00 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 0.86 0.22 1.03 0.00 0.00 145 R 8.41 5.07 0.00 1.80 1.97 0.00 2.84 0.00 0.00 2.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 146 R 9.56 4.22 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.