NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0775 8.1633 120.7427 55.2824 34.1178 173.8890 2 R 4.9935 9.2624 118.8499 52.9377 34.3948 169.4169 3 V 5.6305 8.7513 122.7550 59.0141 35.8101 173.9692 4 V 4.9755 8.6707 123.0545 61.2479 34.5587 173.9239 5 I 5.0112 8.7773 128.3962 59.8260 40.0448 174.3472 6 Q 5.1710 9.0552 127.1370 53.7775 31.7197 175.2756 7 R 4.3607 8.5941 125.1061 56.3425 31.4784 175.6173 8 V 4.9979 8.7451 118.3614 59.5883 35.9306 176.7708 9 K 4.1960 9.3052 123.4900 58.0952 33.0903 177.1650 10 G 4.6754 7.6233 107.2291 45.9690 0.0000 171.4521 11 A 5.1857 8.2498 120.4203 51.3124 23.4140 176.0162 12 I 4.8878 8.2124 120.6967 59.6937 40.9151 173.9344 13 L 4.7216 8.8577 130.5246 54.0926 43.8893 175.5979 14 S 5.6206 8.5823 119.6892 56.5312 67.8851 173.8063 15 V 4.9355 8.3512 116.2122 59.8253 35.4135 174.1575 16 R 4.6779 8.4262 120.0293 54.7570 31.2793 175.9639 *27 L 4.6237 8.3189 122.4783 54.5579 43.1208 176.2176 28 E 4.6719 9.3124 121.2117 54.1945 33.0195 174.5708 29 I 4.2964 8.7352 124.9441 62.2653 37.2221 175.5385 30 I 4.5460 8.8482 120.0771 60.5913 39.1353 175.7999 31 S 4.8250 7.8126 118.2725 57.1707 67.4197 172.4358 32 E 5.3464 8.4970 122.1082 55.1536 32.5697 174.1088 33 I 4.8637 8.6684 119.2591 58.2488 41.3852 174.9057 34 K 5.1980 8.8280 129.7288 55.7381 30.4537 178.2123 35 N 4.7278 8.2354 124.5169 52.8361 39.5618 174.8531 36 G 4.4393 7.0066 108.4693 46.3642 0.0000 170.8179 37 L 5.2660 7.9195 121.2014 52.9401 45.5203 175.5952 38 I 4.6300 8.8391 123.5655 59.5615 40.6087 174.3014 39 C 5.0510 8.5795 125.7389 58.1447 31.8871 173.1944 40 F 5.0205 9.3635 124.9018 56.3203 40.1185 175.1900 41 L 5.0413 9.5621 128.1150 53.4382 43.8456 175.1037 42 G 4.4395 9.5799 115.4823 44.9637 0.0000 171.7293 43 I 5.4598 8.6567 123.4277 58.0717 39.7992 174.2750 44 H 3.9096 9.3461 127.4281 55.9135 30.3219 176.1675 45 K 4.0831 8.1225 122.3814 59.0907 32.5831 177.5380 46 N 4.9957 8.3432 115.9433 52.8541 39.0166 174.0705 47 D 4.7521 7.9763 119.5800 54.5624 41.7357 175.8690 48 T 4.6927 9.1261 113.7455 59.3386 71.4265 175.1492 49 W 4.9907 9.2665 132.7400 61.4539 30.5968 177.9170 50 E 3.7925 8.5091 117.6858 59.8279 28.9448 179.1402 51 D 4.3505 8.7309 118.6313 57.5124 40.9420 178.8912 52 A 3.7897 8.1352 121.1583 54.3764 18.1252 179.8626 53 L 3.3854 6.9478 117.4910 57.8189 41.7893 178.3565 54 Y 3.8357 7.8104 119.4291 61.2874 38.6396 177.9090 55 I 3.7584 7.6914 119.8319 64.2852 37.0322 177.9931 56 I 2.6975 7.5710 120.0333 65.2924 37.0544 177.6065 57 R 3.4983 8.1631 117.0756 60.3071 29.4290 177.9489 58 K 3.6994 8.3626 116.9576 60.1403 32.3252 178.5798 59 C 3.9182 7.8114 114.7903 63.5218 27.3621 176.1174 60 L 4.1639 8.0399 119.7892 58.1277 41.1708 179.4194 61 N 4.6498 8.4644 114.8611 54.4215 38.8521 176.1744 62 L 4.1221 8.9573 120.3458 55.2459 42.9732 177.6387 63 R 4.8540 8.2815 120.7551 55.9179 29.5811 177.4087 64 L 4.6231 8.0420 113.8268 54.7919 42.1676 177.2643 65 W 4.6669 8.1818 119.4285 54.5651 31.6790 175.4301 66 N 4.6752 8.3470 119.8818 53.4568 39.1709 173.9284 67 N 4.5546 9.5854 117.5154 53.9138 41.7790 173.3221 68 D 4.3210 9.7295 126.0826 55.3880 39.1130 172.8307 69 N 4.4238 8.3387 115.8708 53.9937 38.3389 173.9098 70 K 4.7583 7.7108 117.4382 53.1616 35.3192 179.6555 71 T 4.8617 8.0089 107.9549 59.4933 71.9003 174.0851 72 W 4.4862 7.3584 119.0642 57.5130 26.2584 172.4313 73 D 4.9087 9.1756 119.4143 55.5869 43.0767 176.8666 74 K 4.7252 8.0839 117.9325 55.6725 34.1886 175.5672 75 N 5.7029 8.2029 121.2182 50.6341 39.8940 175.1950 76 V 3.4218 8.2114 111.9157 64.7936 31.7049 178.8013 77 K 3.1395 8.0283 118.1333 59.7680 32.2090 178.9434 78 D 4.2642 8.1590 117.9360 57.5870 40.7044 178.4994 79 L 3.8450 7.1715 115.1691 53.7732 41.3328 176.3386 80 N 4.2707 8.0757 115.3719 54.5253 36.6167 173.7688 81 Y 5.0128 7.5682 113.3275 57.1275 40.2595 175.7998 82 E 4.9292 8.3494 121.4610 55.2907 32.2320 175.3715 83 L 5.0970 8.1748 118.7720 53.3786 46.2242 175.5285 84 L 4.8349 8.9627 126.7413 53.6199 43.7079 175.1088 85 I 4.5050 8.8329 129.3276 60.0870 38.6771 175.1676 86 V 4.8211 8.6050 128.1195 60.7359 34.1174 174.6944 87 S 4.8275 8.7988 122.8855 58.8557 63.4052 174.3128 88 Q 4.4034 9.3730 126.2194 54.2810 30.2754 175.3378 89 F 4.4913 8.2315 119.4118 59.2541 38.8005 178.2113 90 T 3.8191 6.8174 111.1017 63.4701 68.5113 175.9136 91 L 3.9069 7.5066 121.7475 57.2479 41.9480 177.6326 92 F 4.8672 8.9021 117.4145 56.9572 38.9431 175.3963 93 G 3.8595 8.0880 110.5530 46.4463 0.0000 172.8495 94 N 4.7951 8.8721 124.2206 52.5563 39.6989 175.4531 95 T 4.7004 8.3826 117.6592 61.6144 69.4877 175.0905 96 K 4.3685 7.8487 125.4105 58.8345 34.4398 178.5730 97 K 3.9295 7.9009 118.5639 56.2158 31.6688 182.7718 98 G 4.0383 7.7745 111.2973 45.3972 0.0000 172.3113 99 N 4.4166 8.7647 116.1746 55.2081 38.9851 175.1320 100 K 4.2484 7.8463 119.7611 54.5716 33.1321 173.6565 101 P 4.8352 0.0000 0.0000 60.5009 32.7873 174.5143 102 D 4.3339 8.1707 122.4544 51.9927 41.0255 176.5929 103 F 5.1111 8.1175 119.9039 57.0903 39.4974 177.3034 104 H 3.9645 8.0851 118.7729 59.3954 28.4562 176.7885 105 L 3.9168 8.0798 116.5159 56.1123 41.5738 176.6757 106 A 4.3946 7.7527 121.1305 50.6054 19.8319 177.5154 107 K 4.0933 8.6701 122.5058 56.0499 33.2872 176.5022 108 E 4.0566 8.8958 128.2865 55.9612 30.3303 175.0698 109 P 4.4719 0.0000 0.0000 66.7620 30.8343 177.9525 110 N 4.3313 8.5701 114.5270 55.6231 38.4854 176.1535 111 E 4.3900 8.2589 118.4785 57.8088 30.3056 178.2138 112 A 4.2369 8.5244 121.4654 55.0786 18.5042 179.4455 113 L 2.6746 7.9775 119.0778 57.9649 42.0405 178.6591 114 I 3.6485 7.8252 119.2227 64.4539 36.9976 177.4115 115 F 4.6716 8.1950 120.8290 62.0817 39.1646 176.5141 116 Y 4.2033 8.4232 118.8024 61.1516 38.4776 177.8780 117 N 4.3138 8.2775 116.5298 56.4032 38.6590 177.1388 118 K 3.8810 8.1253 119.6366 59.9813 32.1735 179.0536 119 I 3.7669 8.0515 119.5919 64.8082 36.5285 178.6377 120 I 3.8125 7.9735 120.6969 64.1131 36.8154 178.3988 121 D 4.3738 8.2797 120.1029 57.4557 40.5886 178.4191 122 E 4.1006 8.4597 118.5204 59.0526 29.9525 178.4994 123 F 4.1101 8.4262 118.4378 60.4365 39.0848 177.6720 124 K 4.0361 7.8301 117.3189 59.4003 31.7132 179.3203 125 K 4.1594 8.0758 118.0911 58.4431 32.1395 177.1535 126 Q 4.6597 7.4353 115.6630 55.8398 30.8232 173.9642 127 Y 4.8599 8.2953 124.1392 57.3193 45.6477 176.5292 128 N 4.4145 9.0193 125.6640 52.5095 40.3944 172.8513 129 D 4.4804 8.7874 127.0639 56.4228 39.1629 177.7128 130 D 4.4329 7.9377 117.3424 55.7828 41.3667 176.2498 131 K 4.6254 8.2461 117.9659 56.2882 34.2784 175.1870 132 I 4.5584 7.8239 120.7501 59.6237 39.5134 175.1274 133 K 4.7502 9.2945 127.0834 54.7674 35.3277 175.5589 134 I 5.5754 7.5280 114.3014 58.4590 40.9645 173.5883 135 G 4.3441 8.5730 110.7300 44.8543 0.0000 173.4368 136 K 4.3164 8.5575 121.5763 53.6454 31.2945 175.0234 137 F 3.7643 8.4997 127.6367 60.3549 39.8654 176.9228 138 G 3.9302 8.4327 111.5513 48.7114 0.0000 173.4383 139 N 4.7124 7.4003 114.3307 52.0085 39.5043 174.4352 140 Y 4.1747 8.4322 121.7298 58.0606 39.5401 175.0258 141 M 4.8909 7.2673 124.7232 53.3698 36.5146 174.3962 142 N 4.7606 9.0072 119.6965 51.9855 42.1089 173.0086 143 I 5.0192 8.3066 126.6740 59.5656 40.2144 174.8072 144 D 4.7137 8.6323 127.1404 53.5228 42.0856 175.6214 145 V 4.4733 8.4197 123.1519 61.3319 34.5450 174.8837 146 T 4.4371 8.2852 124.7462 62.0869 69.7682 173.4410 147 N 4.9572 8.6532 125.0839 52.7011 39.8134 174.8954 148 D 4.3144 8.9434 125.6455 57.0659 41.3776 175.7026 149 G 3.9635 8.9821 117.5700 45.1515 0.0000 171.8622 150 P 4.9404 0.0000 0.0000 60.0505 33.5232 174.8036 151 V 4.4070 8.0365 116.8010 61.6613 33.9857 174.0056 152 T 5.2174 8.6364 124.4662 61.8872 71.1172 174.0471 153 I 4.7150 8.5576 125.3235 59.7018 41.5672 173.4777 154 Y 5.3633 8.7529 127.0219 55.8885 41.5002 174.6862 155 I 4.2079 7.8048 126.1134 59.5053 41.5691 173.6488 156 D 5.1542 8.1265 127.4371 52.4185 41.8125 176.7938 157 T 3.5400 9.0456 118.5065 64.2951 68.7936 175.2297 158 H 4.6828 8.4251 118.7733 56.4327 28.3848 175.0491 159 D 4.8497 7.9770 118.1873 54.0481 40.7660 176.7983 160 I 4.1505 7.1873 125.1777 61.6144 38.1956 175.0263 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 8.16 5.08 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.26 4.99 0.00 1.40 1.69 0.00 2.21 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 3 V 8.75 5.63 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 0.83 0.00 0.00 1.06 0.00 0.00 4 V 8.67 4.98 2.35 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 1.04 0.00 0.00 1.10 0.00 0.00 5 I 8.78 5.01 1.89 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 1.26 1.18 0.92 0.00 0.00 6 Q 9.06 5.17 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 7 R 8.59 4.36 0.00 1.68 1.64 0.00 2.21 0.00 0.00 2.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.00 8 V 8.75 5.00 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 0.82 0.00 0.00 0.98 0.00 0.00 9 K 9.31 4.20 0.00 1.68 1.84 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 G 7.62 4.68 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 11 A 8.25 5.19 1.15 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 0.00 0.00 12 I 8.21 4.89 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 1.41 1.11 0.95 0.00 0.00 13 L 8.86 4.72 0.00 1.68 1.50 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.58 5.62 0.00 3.80 3.66 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 15 V 8.35 4.94 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 0.78 0.00 0.00 0.96 0.00 0.00 16 R 8.43 4.68 0.00 1.86 1.88 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 *27 L 8.32 4.62 0.00 1.58 1.68 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.31 4.67 0.00 1.93 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 0.00 2.20 2.29 0.00 29 I 8.74 4.30 1.88 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 1.40 0.54 0.99 0.00 0.00 30 I 8.85 4.55 1.89 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 1.24 0.68 0.93 0.00 0.00 31 S 7.81 4.83 0.00 3.73 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 32 E 8.50 5.35 0.00 1.92 1.75 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 2.19 2.46 0.00 33 I 8.67 4.86 1.85 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 1.19 1.08 0.89 0.00 0.00 34 K 8.83 5.20 0.00 1.83 1.29 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.54 7.81 35 N 8.24 4.73 0.00 2.07 1.49 0.00 0.00 7.39 7.84 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 36 G 7.01 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 5.27 0.00 1.68 1.57 1.09 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.84 4.63 1.72 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 0.45 1.36 0.83 0.00 0.00 39 C 8.58 5.05 0.00 2.67 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 40 F 9.36 5.02 0.00 3.06 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 41 L 9.56 5.04 0.00 1.77 1.75 1.09 0.96 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 42 G 9.58 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 5.46 2.24 0.00 0.00 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 1.49 1.43 1.51 0.00 0.00 44 H 9.35 3.91 0.00 2.92 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.12 4.08 0.00 1.84 1.87 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.43 7.81 46 N 8.34 5.00 0.00 2.62 2.81 0.00 0.00 6.96 8.06 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 47 D 7.98 4.75 0.00 3.02 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 48 T 9.13 4.69 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 1.23 0.00 0.00 49 W 9.27 4.99 0.00 3.55 3.29 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 50 E 8.51 3.79 0.00 2.05 2.03 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 2.51 2.44 0.00 51 D 8.73 4.35 0.00 2.94 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 52 A 8.14 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 6.95 3.39 0.00 1.59 1.50 0.37 0.46 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 54 Y 7.81 3.84 0.00 3.05 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 55 I 7.69 3.76 1.81 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 1.74 0.66 1.02 0.00 0.00 56 I 7.57 2.70 1.47 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.50 -0.10 0.00 0.00 57 R 8.16 3.50 0.00 1.63 1.88 0.00 2.96 0.00 0.00 2.96 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 58 K 8.36 3.70 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.63 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.88 1.40 7.81 59 C 7.81 3.92 0.00 3.46 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 60 L 8.04 4.16 0.00 1.61 1.63 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.46 4.65 0.00 2.69 2.81 0.00 0.00 7.12 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 62 L 8.96 4.12 0.00 1.75 1.61 0.91 0.78 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 63 R 8.28 4.85 0.00 1.99 2.08 0.00 3.15 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 64 L 8.04 4.62 0.00 0.78 1.48 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.18 4.67 0.00 3.64 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 66 N 8.35 4.68 0.00 2.68 2.88 0.00 0.00 6.56 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 67 N 9.59 4.55 0.00 2.73 2.65 0.00 0.00 7.42 8.56 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 68 D 9.73 4.32 0.00 2.75 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 69 N 8.34 4.42 0.00 2.90 2.96 0.00 0.00 6.95 6.68 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 70 K 7.71 4.76 0.00 1.72 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.20 7.81 71 T 8.01 4.86 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 1.14 0.00 0.00 72 W 7.36 4.49 0.00 3.40 3.24 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 73 D 9.18 4.91 0.00 2.73 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 74 K 8.08 4.73 0.00 1.74 1.65 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.33 7.81 75 N 8.20 5.70 0.00 3.00 3.03 0.00 0.00 6.93 7.55 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 76 V 8.21 3.42 2.20 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 1.13 0.00 0.00 1.11 0.00 0.00 77 K 8.03 3.14 0.00 1.72 1.52 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.61 1.14 7.81 78 D 8.16 4.26 0.00 2.69 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 79 L 7.17 3.84 0.00 0.27 0.19 0.31 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.08 4.27 0.00 2.65 2.84 0.00 0.00 6.86 7.65 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 81 Y 7.57 5.01 0.00 2.73 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 82 E 8.35 4.93 0.00 1.98 1.91 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 2.32 2.22 0.00 83 L 8.17 5.10 0.00 1.42 1.33 1.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.96 4.83 0.00 1.65 1.43 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.83 4.50 1.72 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 0.77 0.00 0.00 86 V 8.60 4.82 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 1.00 0.00 0.00 0.86 0.00 0.00 87 S 8.80 4.83 0.00 3.61 3.43 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 0.00 0.00 0.00 88 Q 9.37 4.40 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 89 F 8.23 4.49 0.00 3.32 3.37 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 90 T 6.82 3.82 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 0.12 0.00 0.00 91 L 7.51 3.91 0.00 1.55 1.39 0.99 0.54 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 92 F 8.90 4.87 0.00 3.40 3.16 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 0.00 0.00 0.00 0.00 93 G 8.09 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 0.00 0.00 0.00 94 N 8.87 4.80 0.00 2.85 2.82 0.00 0.00 6.33 6.50 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 95 T 8.38 4.70 4.22 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 1.20 0.00 0.00 96 K 7.85 4.37 0.00 1.78 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 97 K 7.90 3.93 0.00 1.77 1.52 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.02 7.81 98 G 7.77 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 99 N 8.76 4.42 0.00 2.72 2.89 0.00 0.00 6.67 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 0.00 100 K 7.85 4.25 0.00 1.70 1.67 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 101 P 0.00 4.84 0.00 1.86 1.96 0.00 3.37 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 102 D 8.17 4.33 0.00 2.92 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 0.00 103 F 8.12 5.11 0.00 3.12 3.26 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 0.00 104 H 8.09 3.96 0.00 3.21 3.42 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.08 3.92 0.00 1.75 1.42 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.75 4.39 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 0.00 0.00 107 K 8.67 4.09 0.00 2.14 1.87 0.00 2.15 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.41 7.81 108 E 8.90 4.06 0.00 2.06 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 0.00 2.38 2.26 0.00 109 P 0.00 4.47 0.00 2.40 2.37 0.00 3.76 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 2.10 2.04 0.00 110 N 8.57 4.33 0.00 3.10 2.97 0.00 0.00 6.84 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 0.00 111 E 8.26 4.39 0.00 1.97 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 2.25 2.31 0.00 112 A 8.52 4.24 1.75 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 0.00 0.00 113 L 7.98 2.67 0.00 0.99 1.50 0.39 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.83 3.65 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.94 0.00 0.00 115 F 8.19 4.67 0.00 3.07 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 0.00 116 Y 8.42 4.20 0.00 3.15 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 0.00 117 N 8.28 4.31 0.00 3.12 2.92 0.00 0.00 7.11 7.22 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 0.00 118 K 8.13 3.88 0.00 2.16 2.18 0.00 1.74 0.00 0.00 0.79 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.47 7.81 119 I 8.05 3.77 2.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.97 0.00 0.00 120 I 7.97 3.81 1.91 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.77 0.87 0.00 0.00 121 D 8.28 4.37 0.00 2.90 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 0.00 122 E 8.46 4.10 0.00 2.39 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 0.00 2.63 2.42 0.00 123 F 8.43 4.11 0.00 3.34 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 0.00 124 K 7.83 4.04 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.79 7.81 125 K 8.08 4.16 0.00 1.81 2.06 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 7.44 4.66 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 127 Y 8.30 4.86 0.00 2.83 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 0.00 128 N 9.02 4.41 0.00 2.40 1.42 0.00 0.00 6.60 8.49 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 0.00 129 D 8.79 4.48 0.00 2.79 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 0.00 130 D 7.94 4.43 0.00 2.72 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 0.00 131 K 8.25 4.63 0.00 1.01 1.65 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 1.10 7.81 132 I 7.82 4.56 1.84 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 1.32 0.97 0.76 0.00 0.00 133 K 9.29 4.75 0.00 1.56 1.67 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.67 7.81 134 I 7.53 5.58 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.88 0.00 0.00 135 G 8.57 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 0.00 0.00 0.00 0.00 136 K 8.56 4.32 0.00 1.79 1.63 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.99 7.81 137 F 8.50 3.76 0.00 2.87 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 0.00 138 G 8.43 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 0.00 0.00 0.00 139 N 7.40 4.71 0.00 2.81 2.81 0.00 0.00 7.01 7.34 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 0.00 140 Y 8.43 4.17 0.00 2.92 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 0.00 141 M 7.27 4.89 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 142 N 9.01 4.76 0.00 2.80 2.63 0.00 0.00 7.12 8.31 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 0.00 143 I 8.31 5.02 1.90 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 1.32 0.75 0.91 0.00 0.00 144 D 8.63 4.71 0.00 2.60 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 0.00 145 V 8.42 4.47 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 0.87 0.00 0.00 0.97 0.00 0.00 146 T 8.29 4.44 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 1.21 0.00 0.00 147 N 8.65 4.96 0.00 2.61 2.77 0.00 0.00 7.04 8.06 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 0.00 148 D 8.94 4.31 0.00 2.81 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 0.00 149 G 8.98 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 0.00 150 P 0.00 4.94 0.00 2.17 2.09 0.00 3.06 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 151 V 8.04 4.41 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 1.11 0.00 0.00 1.02 0.00 0.00 152 T 8.64 5.22 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 1.25 0.00 0.00 153 I 8.56 4.71 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.27 0.90 0.00 0.00 154 Y 8.75 5.36 0.00 2.90 2.83 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 0.00 155 I 7.80 4.21 1.78 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 1.13 0.83 0.88 0.00 0.00 156 D 8.13 5.15 0.00 2.66 2.70 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 0.00 157 T 9.05 3.54 4.06 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 1.26 0.00 0.00 158 H 8.43 4.68 0.00 3.33 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.98 4.85 0.00 2.58 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 0.00 160 I 7.19 4.15 1.71 0.00 0.00 0.48 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 0.40 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.