NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0013 8.2133 108.0275 45.5038 0.0000 173.1124 3 K 4.9447 8.0565 119.8039 55.3557 33.9149 173.5339 4 E 4.7108 9.8253 121.7007 55.4134 35.0085 174.2113 5 I 4.4673 8.3763 125.6256 59.7553 38.6251 174.9870 6 E 4.5442 9.0293 127.3801 54.7703 31.6492 175.0018 7 I 4.6571 8.2013 126.0520 59.6499 39.2020 174.5358 8 E 5.6921 8.5224 126.8538 54.1885 32.9524 174.2455 9 R 4.6182 8.4897 124.1617 54.2620 33.8064 174.5066 10 K 5.0599 7.7464 119.8284 56.4862 35.9942 174.7333 11 T 4.7336 8.7881 113.8844 60.9281 71.1199 172.8359 12 L 4.8504 8.5200 127.4562 55.0479 42.4271 176.6654 13 V 4.7946 8.6800 114.9647 59.3390 35.8262 175.7308 14 S 4.4559 8.5182 116.4710 57.5119 64.2171 175.1376 15 K 2.5680 8.4620 121.5820 59.2926 31.6332 178.7530 16 E 3.8776 7.9038 118.1995 59.7040 29.5057 179.0991 17 T 3.8308 7.7834 115.7414 66.6704 68.5234 176.2760 18 F 3.9951 8.3483 122.6029 61.3583 39.3707 177.3730 19 K 3.9897 8.2307 118.1111 59.2835 31.7655 179.3257 20 R 3.8762 8.1711 119.1976 59.4053 29.9256 178.6117 21 L 3.8500 7.9576 118.7809 57.6867 41.4684 179.3548 22 I 3.6132 7.4496 119.7663 64.5404 36.9030 178.4555 23 S 4.0893 8.0204 113.6940 61.5952 62.0518 176.2428 24 Q 4.0862 8.3452 120.0157 58.4413 28.5879 177.6578 25 L 4.3881 8.1697 117.4758 53.7808 42.8197 175.7689 26 H 3.9781 7.6244 117.8206 57.0484 28.5203 174.8330 27 I 4.1428 8.0538 119.8472 60.1129 38.4341 177.0063 28 G 3.9955 9.0617 117.3907 44.7923 0.0000 175.0059 29 E 4.1992 8.8710 115.6641 58.7946 29.8496 180.2088 30 G 3.8171 8.0872 106.8599 48.2834 0.0000 174.3066 31 D 4.4264 8.0773 119.4238 56.1644 41.1506 175.7809 32 F 4.8674 7.9267 118.6450 56.6281 40.0060 175.3391 33 K 4.7255 9.2056 125.8847 55.0008 34.7560 176.3105 34 L 4.9496 8.6094 127.1890 54.8783 41.9245 173.5811 35 Q 4.7647 9.3856 120.4030 54.0700 32.6394 173.8008 36 R 4.8844 8.8358 120.2406 54.5373 33.4552 174.3122 37 N 4.9567 9.3241 122.6260 51.8232 40.7478 173.7154 38 H 4.7101 9.0772 123.0666 54.8306 30.1749 174.1863 39 Y 5.1773 8.1088 122.0159 56.5123 40.0503 174.9610 40 F 5.3772 8.7311 121.1228 56.1340 42.2740 174.2027 41 E 4.8751 9.0912 121.2642 55.6537 33.6518 174.7176 42 T 4.8312 8.8188 114.1687 59.8841 70.2308 175.7585 43 D 3.9626 8.4164 122.3709 57.0941 40.9068 177.2146 44 D 4.6051 7.8665 115.8337 52.4527 40.3409 176.1378 45 F 4.0864 7.3243 117.3844 59.5073 36.8932 176.7285 46 Q 3.9924 8.6387 123.1124 59.0267 28.9842 178.5460 47 L 3.9443 8.1119 119.4808 57.7539 41.7654 179.1436 48 K 3.8659 8.5299 119.4510 59.7847 31.9018 178.8350 49 K 4.1717 8.0462 116.7262 58.4719 31.9390 178.2661 50 Q 4.4315 7.6879 117.0268 54.3209 29.5134 175.5763 51 S 3.7693 7.9672 114.6998 60.0101 60.8769 171.4608 52 S 5.0761 8.3449 113.6525 56.9029 67.8749 174.0387 53 A 4.7679 8.8860 121.3622 50.4281 22.9473 174.9933 54 L 5.3286 8.5859 121.7244 53.3701 45.7506 175.3753 55 R 5.5357 9.2489 120.9960 55.2373 33.7446 173.6005 56 I 5.2159 9.1339 121.5389 59.8949 39.6539 174.6135 57 R 4.9906 9.2540 128.4071 54.7916 32.3974 174.3048 58 E 4.7364 9.0395 126.8311 54.1440 32.5129 174.7184 59 K 4.4377 8.6257 128.2742 55.1735 35.4696 175.8054 60 E 3.5313 9.3572 129.0698 57.7678 26.7229 174.5415 61 A 3.6144 7.8774 113.4289 52.8998 16.9060 177.3802 62 I 4.4894 7.2561 119.2918 60.8586 39.9484 174.4889 63 F 5.3907 8.8193 123.6028 56.1780 41.3438 174.7039 64 T 5.0557 9.0088 120.2104 61.7262 71.9415 172.7025 65 F 5.5450 9.8080 130.2458 57.5279 40.9107 174.4999 66 T 5.0798 9.3725 123.3372 61.5955 72.3706 172.6724 67 L 5.0438 8.7056 127.9515 53.1390 44.9298 174.8727 68 K 5.1973 8.9752 126.1707 54.8005 34.6082 175.3938 69 Q 4.9577 8.7958 121.3540 53.5166 32.5476 172.3687 70 P 4.6911 0.0000 0.0000 63.4879 32.0557 175.4643 71 H 4.7954 8.4821 119.8611 54.3352 32.8429 171.6184 72 P 4.2682 0.0000 0.0000 64.9191 31.3038 176.6102 73 A 4.6634 7.8669 119.6048 50.9659 21.4618 177.3094 74 G 3.7174 9.4401 113.0899 46.3819 0.0000 172.5755 75 L 4.8942 8.1520 121.3346 53.7237 44.6194 175.8783 76 L 4.6972 8.9592 122.9314 53.9798 43.4958 174.6009 77 E 5.0412 9.4652 128.5413 54.8679 31.8586 174.3913 78 T 4.9640 8.9944 124.1237 61.8624 71.0925 172.9066 79 N 5.4347 8.8660 123.9512 51.4001 41.6274 173.9833 80 Q 4.5271 9.0791 123.9353 54.4636 32.3681 174.2379 81 T 4.5839 8.8186 123.7902 63.7316 69.1171 173.9234 82 L 5.1072 8.9825 126.4113 52.7993 44.5927 176.6929 83 S 4.4853 8.5899 116.0688 57.3792 64.2618 175.3507 84 K 3.3294 8.5069 121.0883 59.2136 31.7875 178.1991 85 Q 3.8334 7.9698 119.4604 59.4788 28.9518 178.3629 86 E 3.8249 7.9299 118.6989 59.1823 29.4636 179.3254 87 A 3.6840 7.7212 120.7885 54.9503 18.2470 179.8711 88 K 3.7775 7.8878 117.3066 59.4689 32.0963 179.6242 89 L 3.8378 7.8026 119.0262 57.5798 41.4171 179.5112 90 A 3.4050 7.6113 121.9499 54.4151 18.0467 179.7254 91 L 4.1607 7.9767 116.6340 57.4353 41.8454 178.7799 92 E 4.3203 8.2658 117.7743 57.3321 30.0758 177.2579 93 S 4.4909 7.4962 109.0333 56.8654 63.7463 173.2657 94 A 3.3785 7.6835 120.9937 52.7235 15.4249 177.3968 95 H 4.5457 7.6534 120.7275 55.6930 30.2935 173.4153 96 F 4.0838 8.1579 125.7869 55.7414 40.0097 174.0715 97 P 4.5776 0.0000 0.0000 61.4984 32.4762 176.1292 98 S 4.3124 8.3104 114.7670 58.3155 63.8419 174.6861 99 G 3.8257 8.3444 106.8255 44.6490 0.0000 172.6209 100 E 4.0470 8.6891 118.7617 59.5959 29.7472 179.6087 101 V 3.4893 7.6663 113.9393 63.8087 31.1626 177.1039 *103 D 4.4809 8.2672 119.3343 53.9648 42.8102 177.7613 104 A 3.9407 8.0247 120.5776 55.1148 18.3499 179.5292 105 L 3.8536 8.0489 117.7294 58.0718 41.6803 180.0640 106 R 3.8963 7.8594 117.3155 59.4587 29.8867 178.7565 107 D 4.4511 7.8588 117.3628 56.9230 40.8137 177.8791 108 L 4.2942 7.5264 117.0072 54.0527 41.7084 176.7666 109 S 3.7225 7.7182 113.7865 59.5217 60.9044 171.8628 110 I 4.1765 7.4532 121.2402 59.0531 37.9844 174.0938 111 P 4.4344 0.0000 0.0000 62.1831 31.6285 177.2808 112 I 3.6204 8.3943 125.5111 63.9724 37.3165 178.6067 113 S 4.2763 8.0545 113.7258 60.7453 62.6728 174.8486 114 Q 4.2972 7.8806 118.9982 56.1165 29.0711 175.4257 115 L 4.4420 7.5914 119.4493 54.6681 42.0578 176.4596 116 K 4.9752 8.9163 123.0166 54.3649 36.1138 175.1807 117 H 4.3789 9.1316 123.6348 56.5169 29.8642 174.8030 118 I 4.2900 9.4425 118.4607 59.7820 39.0444 175.6050 119 G 3.4711 6.0475 115.1910 44.8124 0.0000 171.2369 120 T 4.6781 7.8824 117.4357 61.4089 71.0896 173.1116 121 L 4.6983 8.9056 129.7968 53.5729 44.2681 175.3494 122 S 5.0406 8.6053 122.5532 57.9701 64.9992 173.3993 123 T 4.8850 9.2603 120.2439 61.9038 72.5690 172.7114 124 S 5.1190 9.2211 122.2073 57.1245 63.9927 172.6384 125 R 5.3593 9.2112 127.3782 54.5497 33.0872 173.7501 126 A 4.9668 8.5490 127.1172 49.1723 21.9063 174.9003 127 E 5.1047 8.4404 119.1926 54.7082 33.1944 175.2020 128 I 4.7793 8.5159 122.3496 59.2698 42.1775 173.9776 129 S 4.8707 8.6917 122.6564 58.5575 64.1250 173.0578 130 Y 4.5627 8.6251 123.5071 56.8261 42.0580 174.2513 131 E 3.4855 8.1359 127.9308 58.3834 28.2935 175.2146 132 Q 4.6172 9.0832 126.3250 56.6546 29.2471 175.0757 133 G 4.2324 8.3896 107.2750 45.0462 0.0000 171.2582 134 I 5.1522 7.6302 120.1500 59.4679 41.2376 174.3857 135 L 5.1404 9.3372 129.8886 54.0876 43.6968 174.6662 136 C 5.2996 9.5589 124.6307 58.0611 31.0443 172.7651 137 L 5.2179 8.8812 123.7146 53.3819 43.7834 175.0571 138 D 5.5850 9.9069 125.1659 52.8345 43.7281 174.9698 139 H 4.7613 9.4490 124.7894 54.7811 31.4059 173.3225 140 S 5.2353 8.3945 122.7156 56.9325 65.7463 173.7105 141 S 5.0092 8.9356 116.5552 57.4848 67.0559 173.0110 142 Y 4.4705 9.4267 123.7758 56.6174 41.0242 174.4748 143 L 3.3395 9.0860 129.7587 55.5987 38.9647 175.1766 144 G 4.0500 7.9805 105.5875 45.3950 0.0000 172.6098 145 I 4.2884 7.5036 121.5471 60.2859 38.0759 174.4865 146 E 5.4813 8.4527 122.2579 55.0559 32.7899 173.6656 147 D 4.8503 8.9489 120.0829 52.2182 43.9777 173.2603 148 Y 5.0403 8.3565 114.6543 56.3621 41.9738 174.5533 149 E 5.4012 9.3238 122.4503 54.9587 34.0688 173.5325 150 I 5.2280 8.8672 118.9627 59.2783 40.5341 174.1836 151 E 5.3817 9.3878 124.4519 54.5193 33.8678 174.2801 152 F 5.3101 9.5706 125.3814 56.5851 42.3605 173.8361 153 E 4.5031 8.7557 126.6941 55.1455 30.6430 175.9524 154 G 4.2566 8.5427 112.9208 44.8638 0.0000 172.6583 155 T 4.4655 8.5470 108.5652 62.5145 70.1186 175.2195 156 S 4.7306 7.5681 115.5794 55.5978 67.2917 174.7167 157 E 3.9808 8.6671 121.6719 59.7733 29.2992 179.5275 158 E 4.0070 8.1346 118.0839 59.7099 29.6311 178.8219 159 H 4.2085 8.1423 117.8802 59.1568 29.8794 177.1260 160 A 4.4862 8.3244 122.6960 55.4956 18.1871 179.8695 161 T 3.8793 7.8436 114.3485 66.7815 68.6143 176.9315 162 V 3.6149 7.6002 119.7198 66.5646 31.4222 178.2585 163 T 3.8487 8.4740 115.6147 66.5607 68.1916 176.6281 164 F 3.8415 8.4109 122.8292 61.3042 39.4006 177.2120 165 Q 3.9477 8.2958 117.8025 58.7759 28.4670 178.3281 166 E 3.8879 8.1308 120.4098 59.2831 29.7184 178.9119 167 I 3.5039 7.6493 120.0849 64.3890 37.0989 178.4812 168 L 3.8994 7.7638 119.9036 57.2871 41.4507 179.6099 169 K 3.8577 7.9593 119.6947 59.6476 32.0177 178.7275 170 T 3.6294 7.8229 114.9981 66.6315 68.3174 175.0453 171 F 4.5529 7.8292 115.6957 56.4484 39.6804 176.1890 172 S 3.7184 7.3974 115.6466 59.8711 60.4446 172.1636 173 I 4.4804 8.3132 119.4324 59.4775 39.7131 176.1082 174 S 4.6245 8.4576 121.0667 56.6432 63.9222 174.0218 175 Q 4.1893 8.7006 126.5657 56.5871 29.3772 175.7821 176 V 4.5732 8.1231 116.4574 58.4311 35.4943 173.8797 177 P 4.1737 0.0000 0.0000 63.5359 31.3332 176.4304 178 T 4.3548 8.3658 121.7602 62.1493 70.3322 174.2896 179 E 4.2984 8.4436 122.5571 54.8458 30.9349 173.8870 180 N 4.7410 8.2723 114.1796 54.0000 40.7114 176.6425 181 K 4.1026 8.5652 121.1901 59.7882 32.0968 179.6911 182 I 3.5463 7.4831 119.5413 64.4491 36.2105 178.3634 183 Q 4.0459 7.7929 119.5897 58.4202 28.4181 178.7306 184 R 3.8780 7.9519 118.0618 58.9514 30.1807 178.3148 185 F 4.1611 7.6788 114.6478 57.8584 39.8074 176.7627 186 F 4.7321 7.6033 115.3408 58.4150 40.8627 175.9489 187 S 4.4438 7.5475 117.6275 58.2339 61.0309 174.5460 188 K 4.1816 8.2012 123.3998 56.3674 32.7952 176.5850 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 G 8.21 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 3 K 8.06 4.94 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 4 E 9.83 4.71 0.00 1.58 1.74 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 2.14 2.16 0.00 5 I 8.38 4.47 1.85 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 1.29 1.22 0.93 0.00 0.00 6 E 9.03 4.54 0.00 1.85 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 2.20 2.38 0.00 7 I 8.20 4.66 2.02 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 1.22 1.08 0.99 0.00 0.00 8 E 8.52 5.69 0.00 1.86 1.70 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 2.12 2.31 0.00 9 R 8.49 4.62 0.00 1.06 0.66 0.00 3.17 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 10 K 7.75 5.06 0.00 1.93 1.68 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.43 7.81 11 T 8.79 4.73 4.69 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 1.44 0.00 0.00 12 L 8.52 4.85 0.00 1.64 1.64 0.91 1.00 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 13 V 8.68 4.79 2.18 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 0.79 0.00 0.00 1.24 0.00 0.00 14 S 8.52 4.46 0.00 4.13 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 15 K 8.46 2.57 0.00 1.61 1.68 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 0.98 7.81 16 E 7.90 3.88 0.00 2.06 1.95 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 2.37 2.42 0.00 17 T 7.78 3.83 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 1.22 0.00 0.00 18 F 8.35 4.00 0.00 3.05 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 19 K 8.23 3.99 0.00 1.95 1.82 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.54 7.81 20 R 8.17 3.88 0.00 1.86 2.07 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 21 L 7.96 3.85 0.00 1.57 1.34 0.70 0.02 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 22 I 7.45 3.61 1.98 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 1.52 0.51 1.02 0.00 0.00 23 S 8.02 4.09 0.00 3.91 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 24 Q 8.35 4.09 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 25 L 8.17 4.39 0.00 1.68 1.72 0.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.62 3.98 0.00 3.24 3.35 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.05 4.14 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.75 0.00 0.00 28 G 9.06 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 29 E 8.87 4.20 0.00 1.91 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 2.32 1.88 0.00 30 G 8.09 3.82 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 0.00 0.00 0.00 31 D 8.08 4.43 0.00 2.78 2.56 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 0.00 0.00 0.00 32 F 7.93 4.87 0.00 3.15 3.08 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 33 K 9.21 4.73 0.00 1.65 1.70 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.50 7.81 34 L 8.61 4.95 0.00 1.43 1.45 0.92 0.72 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 35 Q 9.39 4.76 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 36 R 8.84 4.88 0.00 1.70 1.71 0.00 3.07 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 37 N 9.32 4.96 0.00 2.20 1.91 0.00 0.00 6.56 6.08 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 38 H 9.08 4.71 0.00 3.06 3.02 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.11 5.18 0.00 2.55 2.67 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 0.00 0.00 0.00 0.00 40 F 8.73 5.38 0.00 2.99 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 41 E 9.09 4.88 0.00 2.12 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 2.39 2.18 0.00 42 T 8.82 4.83 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 1.18 0.00 0.00 43 D 8.42 3.96 0.00 2.58 2.65 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 44 D 7.87 4.61 0.00 2.81 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 45 F 7.32 4.09 0.00 3.31 3.11 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 0.00 0.00 0.00 46 Q 8.64 3.99 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 47 L 8.11 3.94 0.00 2.07 1.94 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.53 3.87 0.00 2.05 2.12 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 49 K 8.05 4.17 0.00 1.97 1.88 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.65 7.81 50 Q 7.69 4.43 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 51 S 7.97 3.77 0.00 3.97 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 52 S 8.34 5.08 0.00 3.81 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 53 A 8.89 4.77 1.21 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 0.00 0.00 54 L 8.59 5.33 0.00 1.72 1.59 0.46 0.58 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 55 R 9.25 5.54 0.00 1.93 2.26 0.00 3.01 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 56 I 9.13 5.22 2.19 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 1.34 1.13 1.12 0.00 0.00 57 R 9.25 4.99 0.00 1.98 1.82 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 58 E 9.04 4.74 0.00 1.93 1.65 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 1.72 1.47 0.00 59 K 8.63 4.44 0.00 1.78 1.54 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.57 7.81 60 E 9.36 3.53 0.00 2.09 1.95 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 2.20 2.26 0.00 61 A 7.88 3.61 1.32 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 0.00 0.00 0.00 62 I 7.26 4.49 1.94 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 1.47 1.22 0.93 0.00 0.00 63 F 8.82 5.39 0.00 3.20 2.96 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 64 T 9.01 5.06 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 65 F 9.81 5.54 0.00 2.92 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 66 T 9.37 5.08 4.31 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 1.30 0.00 0.00 67 L 8.71 5.04 0.00 1.48 1.33 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.93 0.00 0.00 119 G 6.05 3.47 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 0.00 120 T 7.88 4.68 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 0.87 0.00 0.00 121 L 8.91 4.70 0.00 2.08 1.65 -0.38 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.61 5.04 0.00 3.86 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 0.00 123 T 9.26 4.88 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 1.25 0.00 0.00 124 S 9.22 5.12 0.00 3.85 3.75 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 0.00 125 R 9.21 5.36 0.00 1.99 1.78 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 126 A 8.55 4.97 0.09 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 0.00 127 E 8.44 5.10 0.00 1.77 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 2.22 0.00 128 I 8.52 4.78 1.86 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 1.36 1.25 1.03 0.00 0.00 129 S 8.69 4.87 0.00 3.97 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 0.00 130 Y 8.63 4.56 0.00 3.12 3.04 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 0.00 131 E 8.14 3.49 0.00 2.36 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 2.08 2.39 0.00 132 Q 9.08 4.62 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 133 G 8.39 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 0.00 0.00 0.00 0.00 134 I 7.63 5.15 1.77 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 1.12 0.59 0.91 0.00 0.00 135 L 9.34 5.14 0.00 1.95 1.81 1.01 0.67 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 0.00 136 C 9.56 5.30 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 0.00 137 L 8.88 5.22 0.00 1.65 1.64 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.91 5.59 0.00 2.76 2.65 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 0.00 139 H 9.45 4.76 0.00 2.68 3.06 0.00 5.57 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 0.00 140 S 8.39 5.24 0.00 3.95 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 0.00 141 S 8.94 5.01 0.00 3.71 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 0.00 142 Y 9.43 4.47 0.00 2.79 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 0.00 143 L 9.09 3.34 0.00 1.19 1.38 0.52 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.98 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 0.00 145 I 7.50 4.29 2.21 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 1.38 0.79 0.89 0.00 0.00 146 E 8.45 5.48 0.00 1.85 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 2.18 2.24 0.00 147 D 8.95 4.85 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 148 Y 8.36 5.04 0.00 3.10 2.53 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 0.00 149 E 9.32 5.40 0.00 2.12 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 2.37 2.49 0.00 150 I 8.87 5.23 1.94 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 1.35 0.91 0.97 0.00 0.00 151 E 9.39 5.38 0.00 2.00 1.95 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 2.40 2.34 0.00 152 F 9.57 5.31 0.00 3.38 3.17 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 0.00 153 E 8.76 4.50 0.00 1.64 1.67 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 0.00 2.16 2.14 0.00 154 G 8.54 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 0.00 0.00 0.00 0.00 155 T 8.55 4.47 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 1.24 0.00 0.00 156 S 7.57 4.73 0.00 4.05 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 0.00 157 E 8.67 3.98 0.00 2.03 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 0.00 2.42 2.36 0.00 158 E 8.13 4.01 0.00 2.09 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 2.42 2.45 0.00 159 H 8.14 4.21 0.00 3.26 3.36 0.00 5.59 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 0.00 160 A 8.32 4.49 1.61 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 0.00 0.00 161 T 7.84 3.88 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 1.26 0.00 0.00 162 V 7.60 3.61 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 1.03 0.00 0.00 1.00 0.00 0.00 163 T 8.47 3.85 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 0.73 0.00 0.00 164 F 8.41 3.84 0.00 3.25 3.08 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 0.00 165 Q 8.30 3.95 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 166 E 8.13 3.89 0.00 2.17 2.18 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 2.37 2.36 0.00 167 I 7.65 3.50 1.40 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.01 0.60 0.00 0.00 168 L 7.76 3.90 0.00 1.70 1.81 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.96 3.86 0.00 1.94 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 170 T 7.82 3.63 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 0.47 0.00 0.00 171 F 7.83 4.55 0.00 3.02 3.01 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 0.00 172 S 7.40 3.72 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.31 4.48 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.92 0.00 0.00 174 S 8.46 4.62 0.00 3.87 3.81 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 0.00 175 Q 8.70 4.19 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 176 V 8.12 4.57 2.10 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 0.80 0.00 0.00 1.01 0.00 0.00 177 P 0.00 4.17 0.00 2.03 2.01 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 2.03 2.12 0.00 178 T 8.37 4.35 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 1.24 0.00 0.00 179 E 8.44 4.30 0.00 1.99 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 2.23 1.90 0.00 180 N 8.27 4.74 0.00 2.77 2.74 0.00 0.00 6.81 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 0.00 181 K 8.57 4.10 0.00 1.90 2.00 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.62 7.81 182 I 7.48 3.55 1.66 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 -0.11 -0.36 0.80 0.00 0.00 183 Q 7.79 4.05 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 184 R 7.95 3.88 0.00 1.83 1.51 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 185 F 7.68 4.16 0.00 2.30 1.88 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 0.00 186 F 7.60 4.73 0.00 3.13 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 0.00 187 S 7.55 4.44 0.00 4.23 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 0.00 188 K 8.20 4.18 0.00 1.73 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.