NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7608 8.2833 118.1283 52.3524 39.4154 174.0496 3 L 3.8140 8.2332 122.8168 57.4356 42.3293 176.5257 4 E 4.0322 9.2396 118.5000 59.0861 30.3820 178.0938 5 K 4.5399 7.8856 116.7038 56.2181 32.6668 176.0942 6 L 4.4708 7.4332 120.6665 52.5971 43.4915 174.8886 7 E 3.8401 8.8865 127.3968 56.6809 29.5400 176.0497 8 V 4.1068 8.0854 126.1119 60.0380 33.2728 175.1296 9 S 4.6032 8.2891 117.1615 56.9917 64.1139 173.6905 10 H 5.0225 8.5728 123.7095 55.4909 29.3877 173.0958 11 D 4.4899 7.5984 120.3294 53.3204 41.7028 176.8775 12 A 3.6126 8.7939 129.5620 55.2281 18.3776 178.1492 13 D 4.9456 8.2179 112.2108 54.2116 41.4027 177.5625 14 S 4.7473 8.5187 114.2748 57.3740 63.4918 172.1656 15 L 4.7116 9.2387 125.8854 53.0597 44.2968 174.8673 16 C 4.4829 8.8644 128.2201 59.0571 32.1958 172.7443 17 V 4.2941 8.6756 127.2650 60.9187 34.0817 174.3364 18 V 4.0560 7.7670 128.7036 62.0660 32.4916 175.2482 19 I 4.3960 8.2363 129.1615 61.3737 37.9361 176.3879 20 E 4.7876 9.6451 122.3557 55.8641 32.8940 175.5035 21 I 4.8577 7.6251 120.2460 59.4626 41.2133 174.4713 22 S 4.9316 8.7357 122.3196 56.8888 64.8832 173.5835 23 K 3.8314 8.5407 123.2173 58.8950 32.1385 176.3513 24 H 4.5668 8.9635 122.6683 55.6360 27.9806 175.2540 25 S 4.5228 8.3689 116.2136 58.2440 63.2860 173.9473 26 N 5.1195 9.1108 122.9087 53.0971 38.8184 173.8445 27 I 4.5011 7.9125 121.8161 60.0083 38.5560 175.5780 28 K 4.1868 8.9971 130.5865 55.5850 32.4986 175.8846 29 Y 4.6576 7.9575 126.2176 57.5834 39.7668 175.4543 30 E 4.8482 8.6037 117.3503 55.4815 31.0648 174.4341 31 L 4.2809 9.0006 129.6080 55.7639 43.1179 175.6194 32 D 4.7548 8.8813 125.5793 52.7420 42.2449 176.6849 33 K 3.9456 9.1528 126.3810 60.0242 32.2087 178.0549 34 E 4.1313 8.3248 116.2361 59.4741 29.7771 178.5724 35 S 4.1345 8.4193 112.9257 59.9502 63.1624 175.5417 36 G 3.8400 9.0378 107.5129 45.5229 0.0000 172.4990 37 A 4.7668 8.2496 122.3165 49.7020 21.1633 178.8207 38 L 4.4211 8.0567 120.6759 54.1852 43.0365 176.3515 *40 V 3.5471 8.0586 119.0326 63.4592 31.5172 175.1001 41 D 4.4548 8.7083 128.2467 56.1509 41.6953 176.4371 42 R 4.4628 7.0560 116.6165 55.8852 33.1615 173.0123 43 V 4.7343 8.4505 124.3739 60.8414 33.4008 175.1232 44 L 4.0805 8.6787 127.3948 55.6166 41.8592 178.0674 45 Y 4.1112 9.2942 122.6730 60.1992 38.0819 176.7010 46 G 3.9748 7.2911 107.9448 43.7451 0.0000 173.6676 47 A 4.3819 8.1759 122.1237 51.7061 17.5603 175.1260 48 Q 4.8812 7.1294 121.8992 54.3871 33.2221 174.6223 49 N 4.9509 8.6708 111.5230 52.3401 39.5883 173.8578 50 Y 2.9826 8.2539 119.1768 58.2510 38.4099 175.8973 51 P 4.3602 0.0000 0.0000 63.4174 32.0069 175.5943 52 A 4.4171 7.4073 117.2888 50.7757 21.9336 175.8014 53 N 4.5836 8.5900 116.5426 54.4632 39.9170 173.5133 54 Y 5.1754 9.2950 123.5249 55.8727 42.3870 173.7112 55 G 4.4094 8.9940 115.2501 45.6852 0.0000 171.7935 56 F 5.3056 8.8342 117.8403 55.9233 41.7620 173.7575 57 V 4.4662 8.4718 121.0358 61.2320 32.0025 174.2592 58 P 4.5785 0.0000 0.0000 62.8631 32.2069 175.3958 59 N 3.1400 8.6183 116.3574 54.0675 36.3884 174.3273 60 T 4.6533 7.3754 109.8449 60.2087 71.9930 172.1605 61 L 4.9567 9.4910 130.1010 53.4416 44.9522 175.5788 62 G 4.5858 8.4660 113.0452 43.7001 0.0000 173.5043 63 S 4.8254 8.5455 114.3177 56.4318 60.3223 172.8830 64 D 4.6765 8.3218 126.3028 53.3434 40.7144 179.0323 65 G 4.0018 8.2373 106.9091 46.3814 0.0000 173.4447 66 D 4.9780 7.6050 118.6703 51.2138 44.2505 173.8536 67 P 5.3785 0.0000 0.0000 61.8505 32.1759 176.7353 68 V 3.7789 8.2688 120.0204 62.0629 32.2583 175.6406 69 D 5.1355 8.8474 125.0403 54.6920 42.2625 174.9832 70 A 4.8960 8.1112 120.2316 50.8912 23.3618 175.2151 71 L 5.0422 8.6692 119.2116 52.9949 45.1900 176.1366 72 V 4.7495 8.3470 122.1168 60.0966 31.1346 173.5241 73 L 4.2284 8.6733 123.1634 54.9078 42.1928 176.6937 74 S 4.6609 8.2908 116.1731 57.6082 65.3035 174.6947 75 D 4.4519 8.6789 120.5041 56.0071 40.9103 176.8418 76 V 4.1256 7.0003 111.1194 59.2004 34.1098 174.5726 77 A 4.5295 7.8540 123.5452 50.3053 20.3015 176.3105 78 F 4.4258 8.5367 122.5281 56.2995 40.0385 175.4589 79 Q 3.7777 8.9583 125.8403 56.2398 29.0790 175.7346 80 A 3.9849 8.5327 127.4580 54.0722 18.5528 176.7270 81 G 4.0451 8.3902 111.2791 45.4262 0.0000 174.2618 82 S 4.4703 8.2823 114.9188 58.0811 64.7053 173.3206 83 V 4.8483 8.0606 119.5101 61.1639 34.2033 174.8023 84 V 4.3490 8.3357 124.2502 60.0879 35.4223 173.6631 85 K 4.8112 8.4410 121.6963 55.5008 33.7770 175.4237 86 A 5.1733 8.9416 128.5593 50.2920 22.7093 174.1820 87 R 5.0497 8.4564 111.3801 54.7036 33.0927 174.8499 88 L 4.5125 9.3033 124.8454 55.1284 41.8821 177.2655 89 V 4.2303 9.6951 122.4459 60.6553 33.5090 176.2871 90 G 4.0562 7.2968 107.6357 47.8067 0.0000 170.9148 91 V 4.5702 7.1408 115.7050 60.9965 35.3192 171.9673 92 L 4.1409 8.7103 127.4045 53.5608 42.9007 174.9423 93 N 4.8224 8.5442 126.2646 52.8589 40.6171 173.6410 *95 E 4.6154 8.5371 121.0848 56.6831 31.7783 174.5942 96 D 4.1567 8.8320 121.0847 50.9033 42.5819 175.3640 97 E 3.4346 5.9000 115.9004 59.6646 29.2314 178.7939 98 S 4.2394 9.1021 115.4560 59.5956 63.5668 174.6922 99 G 3.9248 7.7391 116.0618 46.1404 0.0000 172.0538 *101 D 4.6045 7.2921 123.6589 53.2795 41.0347 174.3399 102 E 4.1676 8.4347 122.0638 55.8848 31.1360 176.4949 103 K 4.3846 8.5296 120.5384 54.2789 35.5292 175.9981 104 L 4.3186 8.3877 125.5978 55.0707 43.0554 176.4405 105 I 4.8040 8.5146 123.3367 59.7586 39.6931 174.6998 106 A 5.0409 8.4923 126.5835 51.2400 23.4348 174.5391 107 L 5.1367 8.2105 117.6796 52.3017 46.2685 174.9975 108 P 4.8973 0.0000 0.0000 61.9981 32.5021 176.5557 109 I 3.6531 8.7145 123.0557 61.9338 37.8619 177.0579 110 D 4.4809 9.0611 125.9258 57.4998 41.0494 178.7715 111 K 3.9070 8.1980 118.7632 59.6543 32.3317 177.7934 112 I 3.8116 7.9967 118.7989 63.8513 37.1028 176.1734 113 D 4.3824 7.4118 121.5686 52.9155 42.1923 172.7599 114 P 4.7140 0.0000 0.0000 63.3324 32.0104 178.1823 115 T 3.8999 7.5200 116.6554 66.9437 68.7395 174.7938 116 H 4.4665 7.6649 117.8090 54.6190 29.7862 176.2220 117 S 4.4639 8.2561 115.7958 60.8965 62.8304 175.2501 118 Y 4.2280 7.9878 117.7496 59.3795 37.4163 177.1225 119 V 3.9988 6.3967 120.1193 62.0836 29.6852 175.2680 120 K 4.1513 8.3260 124.6607 58.1292 32.8169 176.6008 121 D 4.7596 9.2909 116.3512 53.1826 44.5357 175.6897 122 I 3.3257 8.9459 124.1586 64.2231 38.1030 177.5158 123 D 4.3917 7.9597 118.1324 55.9218 39.3835 176.4943 124 D 4.7141 8.7993 119.5211 54.5052 40.6498 175.6438 125 L 4.6604 7.2168 120.2506 52.6263 43.5195 177.3359 126 S 4.2361 8.4272 117.6902 58.2930 64.7235 175.1598 127 K 3.7314 8.6612 125.1555 60.1837 31.9863 178.1179 128 H 4.2250 8.2410 119.0973 59.1375 29.5968 176.3156 129 T 3.8098 7.9625 116.9328 67.1629 68.2623 176.2707 130 L 3.7445 7.8344 120.2154 57.7432 41.0689 179.4818 131 D 4.4258 8.5431 119.1754 57.3332 40.8335 178.5198 132 K 3.9401 8.4378 120.3703 59.6955 32.1227 178.7499 133 I 3.9013 7.9193 119.7826 64.4381 37.1256 177.9805 134 K 3.9522 8.6877 120.6598 60.0629 31.8268 177.8017 135 H 4.2656 8.6331 117.8098 60.0945 29.9817 176.0567 136 F 4.0487 8.7049 121.4682 61.9498 38.7934 176.7694 137 F 3.4240 8.6927 119.2439 59.9974 38.9584 176.6508 138 E 4.7104 7.8835 115.4258 56.2330 30.1051 176.9508 139 T 4.9167 8.4388 106.9147 62.4485 72.4242 174.5159 140 Y 4.8924 7.7612 118.3895 57.7211 38.0656 176.0403 141 K 4.1811 7.2604 118.3600 56.1954 34.2946 177.5022 142 D 4.3111 7.9792 121.2860 57.7710 40.6487 178.8288 143 L 4.2864 7.7022 114.7148 55.7959 41.7991 176.6884 144 E 3.9949 7.6403 120.3331 54.0093 29.7882 174.6776 145 P 4.1999 0.0000 0.0000 64.1614 32.3375 176.0438 146 N 4.1275 8.5594 117.6250 52.5434 35.5610 174.0095 147 K 4.0197 7.2628 112.0232 55.3044 35.5780 173.3691 148 W 5.3244 7.4113 122.2594 55.2074 32.5012 173.7851 149 V 4.5769 8.4700 118.6082 61.4949 34.0845 173.2500 150 K 4.5704 9.8004 130.5788 54.7000 33.9261 175.6012 151 V 3.9459 8.3909 128.4170 61.6792 31.4647 175.6780 152 K 4.0479 8.3880 128.6586 56.9240 32.6265 178.8004 153 G 3.8445 6.7786 102.5263 46.8845 0.0000 170.1639 154 F 5.2982 8.5767 118.5978 56.4120 41.3522 174.9120 155 E 4.9451 8.8657 118.3968 54.7577 34.6392 175.2022 156 N 4.9026 8.6365 118.8673 52.0545 38.7658 176.0168 157 K 3.7936 9.0087 118.3740 59.6990 32.0433 177.7154 158 E 3.9466 8.2938 119.0164 59.6108 29.2712 178.4466 159 S 4.0517 8.9923 112.7013 61.6004 62.4305 175.5927 160 A 3.9546 7.9820 123.0242 55.5466 18.0882 179.4264 161 I 3.5781 8.5052 118.1719 64.7989 37.1789 178.2116 162 K 4.3130 8.1684 120.2253 58.8805 31.6862 179.1657 163 V 3.5305 7.8895 118.2374 67.0533 31.6818 177.1754 164 L 3.8317 8.5982 119.6132 57.8744 41.7467 178.3125 165 E 3.8853 8.4936 117.5092 59.5837 29.4719 179.3753 166 K 3.7822 8.3035 119.3809 59.8408 32.2001 178.3028 167 A 4.7445 8.0107 121.0567 53.4752 18.5039 179.7265 168 I 3.6144 7.4603 118.5278 64.5559 37.0498 178.5044 169 K 4.0535 8.2201 119.1314 59.2326 31.7210 179.0129 170 A 3.9494 7.5446 119.0347 54.5550 18.2574 178.4866 171 Y 4.1738 7.8013 118.5230 59.3650 39.1235 175.0462 172 Q 4.0124 7.9092 121.8316 56.1106 29.0198 175.3016 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 N 8.28 4.76 0.00 2.81 2.86 0.00 0.00 6.97 5.85 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 3 L 8.23 3.81 0.00 1.86 1.83 1.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.24 4.03 0.00 1.98 2.05 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 2.37 2.39 0.00 5 K 7.89 4.54 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 L 7.43 4.47 0.00 1.56 1.68 0.88 0.80 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 7 E 8.89 3.84 0.00 1.93 1.85 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 0.00 2.24 2.28 0.00 8 V 8.09 4.11 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 0.59 0.00 0.00 0.74 0.00 0.00 9 S 8.29 4.60 0.00 3.76 3.67 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 10 H 8.57 5.02 0.00 3.13 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.60 4.49 0.00 2.52 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 12 A 8.79 3.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.22 4.95 0.00 2.76 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 14 S 8.52 4.75 0.00 3.78 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 15 L 9.24 4.71 0.00 1.83 1.55 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.86 4.48 0.00 3.14 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 17 V 8.68 4.29 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 0.74 0.00 0.00 0.89 0.00 0.00 18 V 7.77 4.06 0.81 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 0.79 0.00 0.00 0.64 0.00 0.00 19 I 8.24 4.40 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.51 1.04 0.00 0.00 20 E 9.65 4.79 0.00 2.00 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 2.44 2.53 0.00 21 I 7.63 4.86 1.50 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.05 0.00 0.00 22 S 8.74 4.93 0.00 3.87 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 0.00 23 K 8.54 3.83 0.00 1.74 1.65 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.95 1.31 7.81 24 H 8.96 4.57 0.00 3.36 3.59 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.37 4.52 0.00 3.98 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 26 N 9.11 5.12 0.00 2.98 3.18 0.00 0.00 6.19 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 27 I 7.91 4.50 1.93 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 1.05 0.63 -0.06 0.00 0.00 28 K 9.00 4.19 0.00 1.94 1.97 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.38 1.35 7.81 29 Y 7.96 4.66 0.00 3.22 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 30 E 8.60 4.85 0.00 1.96 1.87 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 2.17 2.30 0.00 31 L 9.00 4.28 0.00 1.86 1.83 1.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.88 4.75 0.00 2.87 2.55 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 33 K 9.15 3.95 0.00 1.80 1.94 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.45 7.81 34 E 8.32 4.13 0.00 1.95 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 2.32 2.37 0.00 35 S 8.42 4.13 0.00 4.01 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 0.00 36 G 9.04 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 37 A 8.25 4.77 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 38 L 8.06 4.42 0.00 1.67 1.86 0.95 0.58 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 *40 V 8.06 3.55 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 0.54 0.00 0.00 0.89 0.00 0.00 41 D 8.71 4.45 0.00 2.65 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.06 4.46 0.00 1.91 1.71 0.00 3.14 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 43 V 8.45 4.73 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 0.89 0.00 0.00 0.90 0.00 0.00 44 L 8.68 4.08 0.00 1.75 1.70 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.29 4.11 0.00 2.74 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 46 G 7.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.18 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 48 Q 7.13 4.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 49 N 8.67 4.95 0.00 2.94 2.81 0.00 0.00 5.92 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 50 Y 8.25 2.98 0.00 2.99 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 51 P 0.00 4.36 0.00 1.94 1.98 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 52 A 7.41 4.42 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 53 N 8.59 4.58 0.00 2.81 2.93 0.00 0.00 6.23 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.30 5.18 0.00 3.07 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.99 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 0.00 0.00 0.00 0.00 56 F 8.83 5.31 0.00 3.14 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 57 V 8.47 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 0.78 0.00 0.00 0.91 0.00 0.00 58 P 0.00 4.58 0.00 1.93 1.99 0.00 3.91 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 59 N 8.62 3.14 0.00 2.52 1.87 0.00 0.00 6.63 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 60 T 7.38 4.65 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 1.31 0.00 0.00 61 L 9.49 4.96 0.00 1.86 1.70 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.47 4.59 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 0.00 0.00 0.00 63 S 8.55 4.83 0.00 3.99 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 64 D 8.32 4.68 0.00 2.81 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 65 G 8.24 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 66 D 7.61 4.98 0.00 2.82 2.44 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 67 P 0.00 5.38 0.00 2.09 2.32 0.00 3.44 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.17 0.00 68 V 8.27 3.78 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 0.79 0.00 0.00 0.92 0.00 0.00 69 D 8.85 5.14 0.00 2.60 2.36 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 70 A 8.11 4.90 1.11 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 0.00 0.00 71 L 8.67 5.04 0.00 1.59 1.59 1.09 0.89 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 72 V 8.35 4.75 2.16 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 0.76 0.00 0.00 0.88 0.00 0.00 73 L 8.67 4.23 0.00 1.53 1.61 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.29 4.66 0.00 4.01 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 75 D 8.68 4.45 0.00 2.66 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 76 V 7.00 4.13 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 0.57 0.00 0.00 0.31 0.00 0.00 77 A 7.85 4.53 1.11 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 0.00 0.00 78 F 8.54 4.43 0.00 3.06 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 79 Q 8.96 3.78 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 80 A 8.53 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.39 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 82 S 8.28 4.47 0.00 3.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.06 4.85 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 0.73 0.00 0.00 0.84 0.00 0.00 84 V 8.34 4.35 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.48 0.00 0.00 85 K 8.44 4.81 0.00 1.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 E 8.54 4.62 0.00 2.28 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 0.00 2.38 2.60 0.00 96 D 8.83 4.16 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 5.90 3.43 0.00 1.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 98 S 9.10 4.24 0.00 3.89 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 99 G 7.74 3.92 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 0.00 0.00 0.00 *101 D 7.29 4.60 0.00 2.70 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 0.00 102 E 8.43 4.17 0.00 1.84 1.82 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 2.28 2.38 0.00 103 K 8.53 4.38 0.00 1.34 1.44 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.32 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.34 1.06 7.81 104 L 8.39 4.32 0.00 1.55 1.55 0.89 0.72 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 0.00 105 I 8.51 4.80 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.91 0.00 0.00 106 A 8.49 5.04 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 0.00 107 L 8.21 5.14 0.00 1.47 1.49 0.96 1.03 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 0.00 108 P 0.00 4.90 0.00 1.94 1.84 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 109 I 8.71 3.65 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.92 0.00 0.00 110 D 9.06 4.48 0.00 2.68 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 0.00 111 K 8.20 3.91 0.00 1.69 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 112 I 8.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.96 3.81 4.43 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 1.14 0.00 0.00 130 L 7.83 3.74 0.00 1.65 1.13 0.65 0.41 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 0.00 131 D 8.54 4.43 0.00 2.80 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 0.00 132 K 8.44 3.94 0.00 1.76 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 133 I 7.92 3.90 2.31 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 1.51 0.76 1.25 0.00 0.00 134 K 8.69 3.95 0.00 2.30 2.16 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.43 7.81 135 H 8.63 4.27 0.00 3.25 3.56 0.00 5.83 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 0.00 136 F 8.70 4.05 0.00 3.28 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 0.00 137 F 8.69 3.42 0.00 3.26 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 0.00 138 E 7.88 4.71 0.00 2.19 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 2.53 2.34 0.00 139 T 8.44 4.92 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 1.10 0.00 0.00 140 Y 7.76 4.89 0.00 2.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.26 4.18 0.00 1.30 1.34 0.00 1.22 0.00 0.00 1.20 0.00 0.00 2.42 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.45 0.21 7.81 142 D 7.98 4.31 0.00 2.62 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 0.00 143 L 7.70 4.29 0.00 1.68 1.88 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.64 3.99 0.00 1.76 1.57 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 1.47 1.47 0.00 145 P 0.00 4.20 0.00 2.18 2.08 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 146 N 8.56 4.13 0.00 2.86 2.90 0.00 0.00 6.81 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 0.00 147 K 7.26 4.02 0.00 1.67 1.45 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.94 1.57 7.81 148 W 7.41 5.32 0.00 3.46 3.09 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 0.00 149 V 8.47 4.58 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 0.89 0.00 0.00 0.89 0.00 0.00 150 K 9.80 4.57 0.00 1.92 2.12 0.00 2.07 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 151 V 8.39 3.95 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 0.71 0.00 0.00 1.01 0.00 0.00 152 K 8.39 4.05 0.00 1.88 1.77 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 153 G 6.78 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 0.00 154 F 8.58 5.30 0.00 2.90 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 0.00 155 E 8.87 4.95 0.00 1.91 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 2.25 2.26 0.00 156 N 8.64 4.90 0.00 3.20 2.99 0.00 0.00 5.55 6.59 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 0.00 157 K 9.01 3.79 0.00 1.87 1.98 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.51 7.81 158 E 8.29 3.95 0.00 2.07 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 0.00 2.39 2.40 0.00 159 S 8.99 4.05 0.00 3.88 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 0.00 160 A 7.98 3.95 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 0.00 161 I 8.51 3.58 2.08 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.93 0.00 0.00 162 K 8.17 4.31 0.00 2.05 1.84 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 163 V 7.89 3.53 2.22 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 0.78 0.00 0.00 0.97 0.00 0.00 164 L 8.60 3.83 0.00 1.72 1.73 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.49 3.89 0.00 2.11 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 2.33 2.38 0.00 166 K 8.30 3.78 0.00 1.92 2.04 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 167 A 8.01 4.74 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 0.00 168 I 7.46 3.61 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.82 0.00 0.00 169 K 8.22 4.05 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.61 7.81 170 A 7.54 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.80 4.17 0.00 3.12 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 7.91 4.01 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.32 0.00 0.00 0.00 0.00 0.00 2.51 2.87 0.00 * Residues marked with a * may have inaccurate shift predictions.