NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7953 8.1476 120.6221 55.5051 34.3026 173.6725 2 V 4.8683 9.2215 125.3707 58.9306 34.4248 172.8389 3 L 4.0047 9.2056 128.4888 54.3461 43.5846 176.4164 4 I 4.8215 8.8744 128.4595 59.9048 39.0340 174.7617 5 L 4.9933 9.3659 128.2149 52.8194 45.1363 175.4167 6 N 5.4452 8.9680 120.0297 51.7578 42.2052 175.0459 7 G 4.5142 8.8973 112.1186 42.5583 0.0000 171.4343 8 P 4.4018 0.0000 0.0000 64.6014 31.5110 177.1766 9 N 4.5219 9.3693 116.3256 53.8547 37.6931 176.3586 10 L 4.0056 7.5368 118.5116 56.8236 41.9571 178.8281 11 N 4.3469 8.2377 115.3585 55.3259 37.4232 175.6322 12 L 4.3229 8.1107 117.7908 54.8033 42.2202 176.1949 13 L 3.8363 7.2699 119.3959 55.9960 42.2289 176.9389 14 G 4.3220 9.0916 116.4411 46.5762 0.0000 175.2502 15 R 4.0825 7.5964 117.9818 57.3502 30.5571 177.0864 16 R 4.0233 7.8142 114.3094 55.6870 28.6553 176.4252 17 E 3.9118 8.7391 125.5024 55.0538 29.9542 171.1483 18 P 4.7840 0.0000 0.0000 64.3248 32.8284 176.3748 19 E 4.2813 8.0016 115.2889 56.0322 29.3925 177.3703 20 V 3.5773 7.0887 119.2892 64.2314 32.2909 176.0675 21 Y 4.2712 7.6127 119.1973 59.3706 39.0636 174.6240 22 G 3.8149 7.9569 103.8335 44.3408 0.0000 172.8631 23 R 4.4415 8.4889 112.7224 56.1574 30.6458 176.0064 24 T 4.6402 8.0533 113.7433 61.8163 68.0041 174.2453 25 T 4.6837 8.2390 120.2261 59.4703 72.1262 175.7699 26 L 3.9045 8.1579 121.5166 58.2709 41.7970 178.2129 27 E 3.8368 8.1446 118.0324 59.7619 29.5170 179.2780 28 E 3.8252 7.9931 118.1798 58.9515 29.4423 178.9731 29 L 3.6635 7.8626 120.7727 58.2509 41.9853 178.9836 30 E 2.6750 7.4927 117.9291 58.8669 29.2019 179.2775 31 A 3.7539 7.2839 120.4019 54.7989 18.2904 179.4430 32 L 3.1073 7.5581 117.6297 58.0993 41.5410 179.7139 33 C 4.2976 7.5975 116.2739 62.6094 28.0065 175.8243 34 E 3.8723 8.2914 121.0504 59.1544 29.2682 178.8498 35 A 3.8940 7.8602 120.6945 55.0872 18.2801 179.6453 36 W 4.7354 7.9370 116.5291 59.8165 29.4053 178.7767 37 G 3.8425 8.5720 105.6200 47.8611 0.0000 175.6139 38 A 4.0464 8.5302 124.6411 54.5958 18.1984 179.2127 39 E 3.9619 8.0804 115.0524 59.2247 29.4165 178.3610 40 L 4.5910 7.7274 117.8510 54.2128 42.2796 176.6154 41 G 3.9462 8.0379 104.6977 45.3700 0.0000 173.2652 42 L 4.7522 7.6085 118.5327 52.2523 44.3534 176.4044 43 G 3.9434 8.6236 110.9109 46.1866 0.0000 172.6904 44 V 5.3426 8.4963 116.9311 59.2489 35.1680 175.3151 45 V 4.5533 8.5610 123.0685 59.8237 34.2341 174.0557 46 F 5.1529 8.8600 126.0915 56.4691 41.7795 174.2740 47 R 4.6214 8.2606 123.5888 54.6761 34.7563 173.8079 48 Q 5.1945 8.5741 121.4074 55.1958 32.1169 173.6979 49 T 4.8191 8.8851 118.9707 61.1711 71.1966 173.5905 50 N 4.7895 9.0347 123.1470 53.5961 39.3454 174.8713 51 Y 4.5439 7.9032 118.3116 55.9298 39.8985 175.6152 52 E 3.9539 9.0221 126.1734 59.6653 29.6241 179.2119 53 G 3.5258 8.0096 104.8787 47.8349 0.0000 175.3604 54 Q 3.5408 7.7886 121.5296 58.4115 28.9748 177.8623 55 L 3.9174 7.6515 120.1109 57.7668 41.5679 179.5008 56 I 3.6617 7.9396 119.9859 64.4419 37.1458 178.2051 57 E 3.9338 7.9874 119.2842 59.4224 29.3323 179.6370 58 W 4.4744 8.1046 118.8170 59.8210 28.9124 179.1932 59 V 3.7705 8.0523 111.8877 64.4234 31.0239 178.3269 60 Q 4.1798 8.3801 117.5463 58.5554 28.7669 177.9834 61 Q 4.3184 8.1174 117.2108 56.6965 29.1789 177.5269 62 A 4.2467 7.8613 122.5022 55.7852 18.3539 179.3263 63 H 4.2593 8.2591 112.8111 59.1048 28.4568 177.6822 64 Q 4.0285 7.6878 119.2228 58.3339 28.6521 177.6980 65 E 4.2495 7.8808 117.2315 56.7531 29.9103 177.4431 66 G 3.8816 7.8946 107.4353 44.7368 0.0000 174.1213 67 F 4.3914 7.2022 118.2327 57.7394 39.3642 174.7254 68 L 4.6896 8.4350 123.8471 55.8965 43.4519 175.8789 69 A 4.8275 7.8356 118.1564 51.2018 22.9280 174.7664 70 I 4.9311 8.4458 120.1888 59.4958 40.3026 174.9322 71 V 4.7138 8.7862 127.3036 61.1152 33.7106 174.1319 72 L 5.0522 8.9974 129.8029 53.4477 45.2766 174.4646 73 N 5.2946 8.8030 125.9425 50.4963 40.1023 173.0694 74 P 4.3852 0.0000 0.0000 62.3834 32.9095 178.2178 75 G 3.8195 8.3817 107.5885 46.2946 0.0000 175.2663 76 A 4.3477 8.5504 120.3749 54.3423 18.5575 179.3216 77 L 3.3673 7.9875 117.5884 57.3292 41.4925 179.1121 78 T 3.7632 7.6815 109.5118 64.6498 68.2046 175.2200 79 H 4.8726 7.9009 117.2204 57.0039 29.2059 175.1605 80 Y 4.6912 7.2038 114.2163 56.2082 42.2594 176.0036 81 S 4.2016 7.4678 116.7980 57.1233 60.7205 173.4457 82 Y 4.2467 8.0060 124.6525 60.1028 37.9166 177.5105 83 A 4.0521 8.0306 121.8618 54.9126 18.5387 179.2386 84 L 3.8596 7.6860 119.1076 58.0467 42.1761 178.4669 85 L 3.8799 7.6408 120.0252 58.7468 42.0343 178.6295 86 D 4.4117 8.3468 118.0932 57.4180 40.5511 179.0277 87 A 3.9693 7.8373 120.2534 55.1301 18.5854 179.1122 88 I 3.7788 8.2489 117.4962 64.4812 37.8865 178.3552 89 R 3.9711 8.0172 116.9698 58.4866 29.9308 177.9064 90 A 4.4464 7.6367 118.6584 51.5850 19.2057 176.5339 91 Q 4.6891 7.1040 114.7330 53.3043 31.8191 173.8598 92 P 4.4259 0.0000 0.0000 64.9981 32.0189 176.9029 93 L 4.3533 8.1071 119.4840 53.5506 42.3524 175.5358 94 P 4.3636 0.0000 0.0000 63.6233 32.5971 174.9247 95 V 4.8375 8.4504 121.9287 61.1455 34.5249 173.8431 96 V 4.6467 8.8807 128.5265 61.3089 33.5373 173.9411 97 E 4.7768 8.9349 129.8121 55.3886 30.8705 175.0005 98 V 4.8552 8.4520 126.4343 61.4209 35.0520 173.8777 99 H 4.9251 9.3115 123.3292 54.0093 32.7629 174.4924 100 L 4.4990 9.1205 122.2081 57.4785 42.5773 177.3879 101 T 4.5693 7.7489 106.6387 59.2021 70.7373 173.5880 102 N 4.2978 8.2385 121.1487 53.4005 38.6910 175.8154 103 L 3.9831 8.3334 126.8440 57.4920 41.9366 178.6863 104 H 4.4744 8.0077 113.7387 56.6920 29.0236 175.6595 105 A 4.6803 7.4055 120.4899 51.7096 19.4160 176.8941 106 R 4.7505 6.9422 117.9137 56.2812 32.6574 175.5829 107 E 4.0330 8.2564 118.6864 56.9601 30.3740 177.1994 108 E 3.8695 8.9091 122.2001 59.4804 29.3662 179.4418 109 F 4.3322 7.9182 112.9596 59.4734 38.3003 177.3306 110 R 3.3699 6.3363 118.9721 58.1359 29.8081 177.9013 111 R 3.8826 7.4361 115.9144 57.7054 30.3614 175.7553 112 H 4.7630 7.7279 117.2990 54.3087 30.7000 173.5748 113 S 4.8278 8.5343 121.6675 56.7628 63.4204 174.0070 114 V 3.8919 8.3284 121.5754 62.6181 32.0748 177.4233 115 T 4.0961 7.7002 110.0312 63.6611 69.7340 176.5903 116 A 4.0581 8.0447 125.3001 54.6722 18.5226 177.6303 117 P 4.1622 0.0000 0.0000 65.4900 31.3979 177.0381 118 A 4.3822 7.8687 118.1250 52.5005 19.0540 176.7577 119 C 4.7148 7.6635 113.9494 58.1408 29.8965 174.1205 120 R 4.0672 8.3628 121.8511 59.3700 30.2703 176.6995 121 G 3.9804 7.3854 103.1422 45.7007 0.0000 171.5683 122 I 5.2857 8.2799 119.5620 58.9292 40.9440 174.6720 123 V 4.7600 9.1399 129.1520 59.9270 33.7514 174.7221 124 S 5.0798 9.0033 118.6373 58.1348 65.6933 174.3811 125 G 3.6929 8.9626 110.0336 45.5069 0.0000 174.0071 126 F 4.7072 8.0026 118.1436 56.4453 40.1237 176.8544 127 G 3.9295 8.3304 110.4381 45.8069 0.0000 174.9039 128 P 4.5892 0.0000 0.0000 65.7225 31.8008 178.2150 129 L 3.9902 8.1617 117.2596 56.8855 41.3002 179.3125 130 S 4.3027 8.5263 116.0418 61.8168 62.7233 176.2076 131 Y 3.9951 8.6104 119.4947 60.8598 37.7179 178.0627 132 K 3.5903 8.0443 120.0883 59.6017 32.0258 178.5775 133 L 3.9085 7.8741 118.7640 57.5168 41.4523 179.2283 134 A 4.0500 7.8052 120.4181 55.3119 18.2272 179.7663 135 L 4.0467 8.0619 117.7103 57.7576 41.7761 179.9504 136 V 3.5862 8.2898 119.6332 65.1266 31.2685 177.8602 137 Y 4.1219 8.1847 120.1094 60.3244 38.3827 178.0174 138 L 3.8568 8.0618 120.3613 56.8882 41.8294 178.8483 139 A 4.0945 8.0213 120.2150 55.1938 18.4394 179.0936 140 E 3.9655 7.8469 115.7394 57.7390 30.2538 176.8727 141 T 4.1629 6.7500 117.4520 62.4645 70.4990 175.4601 *142 L 4.1415 8.2302 121.7170 54.7137 41.6354 177.5442 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 8.15 4.80 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.79 0.00 2 V 9.22 4.87 2.15 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 0.76 0.00 0.00 0.97 0.00 0.00 3 L 9.21 4.00 0.00 1.09 1.22 0.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.87 4.82 1.90 0.00 0.00 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 1.33 0.66 1.08 0.00 0.00 5 L 9.37 4.99 0.00 1.47 1.60 0.98 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.97 5.45 0.00 2.71 2.68 0.00 0.00 6.59 6.96 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 7 G 8.90 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.24 2.19 0.00 3.96 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 9 N 9.37 4.52 0.00 2.94 2.98 0.00 0.00 6.96 6.36 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 10 L 7.54 4.01 0.00 1.71 1.76 1.06 0.55 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 11 N 8.24 4.35 0.00 2.86 3.18 0.00 0.00 6.03 7.79 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 12 L 8.11 4.32 0.00 1.67 1.71 0.91 0.79 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 13 L 7.27 3.84 0.00 1.81 1.72 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.09 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 0.00 0.00 0.00 0.00 15 R 7.60 4.08 0.00 1.84 2.00 0.00 3.33 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 16 R 7.81 4.02 0.00 1.96 1.98 0.00 2.99 0.00 0.00 2.79 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 17 E 8.74 3.91 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 18 P 0.00 4.78 0.00 2.23 2.25 0.00 3.76 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 1.97 1.95 0.00 19 E 8.00 4.28 0.00 1.97 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 2.27 2.22 0.00 20 V 7.09 3.58 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 0.17 0.00 0.00 0.90 0.00 0.00 21 Y 7.61 4.27 0.00 3.18 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 22 G 7.96 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 0.00 0.00 0.00 23 R 8.49 4.44 0.00 1.97 2.19 0.00 3.16 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 24 T 8.05 4.64 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 1.25 0.00 0.00 25 T 8.24 4.68 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 26 L 8.16 3.90 0.00 1.95 1.72 1.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.14 3.84 0.00 1.99 1.92 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 2.35 2.39 0.00 28 E 7.99 3.83 0.00 1.94 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 2.25 2.24 0.00 29 L 7.86 3.66 0.00 1.77 1.51 0.36 0.90 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 30 E 7.49 2.67 0.00 1.57 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 1.50 2.12 0.00 31 A 7.28 3.75 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 32 L 7.56 3.11 0.00 1.37 0.33 0.51 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.60 4.30 0.00 3.07 3.14 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 34 E 8.29 3.87 0.00 1.96 1.96 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 2.25 2.28 0.00 35 A 7.86 3.89 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 36 W 7.94 4.74 0.00 3.50 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 37 G 8.57 3.84 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 0.00 0.00 0.00 38 A 8.53 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.08 3.96 0.00 2.19 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 2.56 2.57 0.00 40 L 7.73 4.59 0.00 1.70 2.05 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.04 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 42 L 7.61 4.75 0.00 1.77 1.62 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.62 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.50 5.34 2.19 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 0.93 0.00 0.00 0.99 0.00 0.00 45 V 8.56 4.55 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 0.58 0.00 0.00 0.88 0.00 0.00 46 F 8.86 5.15 0.00 2.97 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 47 R 8.26 4.62 0.00 0.92 0.66 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.07 0.00 48 Q 8.57 5.19 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 49 T 8.89 4.82 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 1.08 0.00 0.00 50 N 9.03 4.79 0.00 2.66 2.71 0.00 0.00 6.85 7.46 0.00 0.00 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 Y 7.90 4.54 0.00 2.77 2.76 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 0.00 0.00 0.00 52 E 9.02 3.95 0.00 1.97 1.96 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 2.33 2.31 0.00 53 G 8.01 3.53 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 0.00 0.00 0.00 54 Q 7.79 3.54 0.00 1.71 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 55 L 7.65 3.92 0.00 1.81 1.65 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.94 3.66 1.99 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 1.49 0.88 0.89 0.00 0.00 57 E 7.99 3.93 0.00 1.87 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 2.27 2.50 0.00 58 W 8.10 4.47 0.00 3.49 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.05 3.77 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 0.96 0.00 0.00 60 Q 8.38 4.18 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 61 Q 8.12 4.32 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 62 A 7.86 4.25 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.26 0.00 3.47 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.69 4.03 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 65 E 7.88 4.25 0.00 2.27 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 2.37 2.38 0.00 66 G 7.89 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 67 F 7.20 4.39 0.00 3.04 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 68 L 8.43 4.69 0.00 1.70 1.92 0.93 0.77 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 69 A 7.84 4.83 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 70 I 8.45 4.93 1.87 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 1.06 0.67 0.88 0.00 0.00 71 V 8.79 4.71 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 0.84 0.00 0.00 0.98 0.00 0.00 72 L 9.00 5.05 0.00 1.70 1.41 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.80 5.29 0.00 2.73 2.75 0.00 0.00 7.08 7.19 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 74 P 0.00 4.39 0.00 2.24 1.99 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 75 G 8.38 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 76 A 8.55 4.35 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.99 3.37 0.00 1.61 1.37 0.83 0.40 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 78 T 7.68 3.76 4.19 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 1.32 0.00 0.00 79 H 7.90 4.87 0.00 3.51 3.68 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.20 4.69 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.47 4.20 0.00 3.45 3.55 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 0.00 0.00 0.00 0.00 82 Y 8.01 4.25 0.00 3.14 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 83 A 8.03 4.05 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 84 L 7.69 3.86 0.00 1.67 1.59 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.64 3.88 0.00 1.74 1.96 1.10 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.35 4.41 0.00 3.07 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 87 A 7.84 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.25 3.78 1.88 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 1.34 0.94 0.00 0.00 89 R 8.02 3.97 0.00 1.98 2.00 0.00 3.39 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 90 A 7.64 4.45 1.38 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 0.00 0.00 91 Q 7.10 4.69 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 92 P 0.00 4.43 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 93 L 8.11 4.35 0.00 1.66 1.70 1.12 1.00 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 94 P 0.00 4.36 0.00 2.19 2.27 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 2.23 2.02 0.00 95 V 8.45 4.84 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 0.97 0.00 0.00 1.01 0.00 0.00 96 V 8.88 4.65 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 0.90 0.00 0.00 1.03 0.00 0.00 97 E 8.93 4.78 0.00 2.06 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 2.25 2.32 0.00 98 V 8.45 4.86 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 0.01 0.00 0.00 0.77 0.00 0.00 99 H 9.31 4.93 0.00 3.03 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.12 4.50 0.00 1.90 1.94 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.75 4.57 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 0.85 0.00 0.00 102 N 8.24 4.30 0.00 2.58 2.64 0.00 0.00 6.94 6.66 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 0.00 103 L 8.33 3.98 0.00 1.45 1.74 0.61 1.06 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 0.00 104 H 8.01 4.47 0.00 3.23 3.31 0.00 5.83 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 0.00 105 A 7.41 4.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 6.94 4.75 0.00 1.62 1.64 0.00 2.98 0.00 0.00 3.07 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 107 E 8.26 4.03 0.00 1.52 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 0.00 2.46 2.31 0.00 108 E 8.91 3.87 0.00 1.98 1.99 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 2.39 2.32 0.00 109 F 7.92 4.33 0.00 3.24 3.27 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 0.00 110 R 6.34 3.37 0.00 1.54 1.74 0.00 2.93 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.53 0.00 111 R 7.44 3.88 0.00 1.81 2.00 0.00 3.10 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 112 H 7.73 4.76 0.00 3.17 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.53 4.83 0.00 3.82 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 0.00 114 V 8.33 3.89 1.55 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 0.28 0.00 0.00 0.55 0.00 0.00 115 T 7.70 4.10 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 1.13 0.00 0.00 116 A 8.04 4.06 1.34 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 0.00 117 P 0.00 4.16 0.00 2.08 2.17 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 118 A 7.87 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.66 4.71 0.00 3.09 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 0.00 120 R 8.36 4.07 0.00 1.93 1.93 0.00 3.50 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 121 G 7.39 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 0.00 122 I 8.28 5.29 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.92 0.00 0.00 123 V 9.14 4.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.13 0.00 0.00 124 S 9.00 5.08 0.00 3.99 3.89 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 0.00 125 G 8.96 3.69 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 0.00 0.00 0.00 126 F 8.00 4.71 0.00 3.28 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 0.00 127 G 8.33 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 0.00 128 P 0.00 4.59 0.00 2.49 2.28 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 129 L 8.16 3.99 0.00 2.05 1.63 0.98 0.66 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 0.00 130 S 8.53 4.30 0.00 4.13 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 0.00 131 Y 8.61 4.00 0.00 3.55 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.04 3.59 0.00 0.79 1.26 0.00 0.93 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.81 0.21 7.81 133 L 7.87 3.91 0.00 1.61 1.55 0.31 0.28 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 0.00 134 A 7.81 4.05 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 0.00 135 L 8.06 4.05 0.00 1.94 1.81 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.29 3.59 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 0.75 0.00 0.00 0.90 0.00 0.00 137 Y 8.18 4.12 0.00 3.06 3.19 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 0.00 138 L 8.06 3.86 0.00 1.86 1.70 1.03 0.94 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 0.00 139 A 8.02 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 7.85 3.97 0.00 1.94 1.89 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 2.27 2.31 0.00 141 T 6.75 4.16 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 0.98 0.00 0.00 *142 L 8.23 4.14 0.00 1.41 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.