NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 E 4.2919 8.4444 120.2264 56.1115 31.7728 176.0617 35 Q 3.9673 8.0142 119.9701 54.3740 29.4988 174.9945 36 S 4.5702 8.9726 120.9774 57.3021 66.6955 175.3339 37 V 3.5472 8.0769 120.6858 65.7421 31.2488 176.0399 38 P 4.2300 0.0000 0.0000 65.7590 30.9568 178.6188 39 Q 3.9628 7.8228 115.3328 58.6108 28.6193 178.3758 40 A 4.1146 7.9703 121.4461 55.1350 18.7508 178.9115 41 Q 4.1326 8.2139 118.2460 59.7147 28.9645 180.2059 42 T 4.1184 7.9150 114.4017 63.9215 68.3678 176.2559 *44 L 4.2829 7.8735 122.3953 54.9886 43.8597 179.4937 45 V 3.5756 7.9654 117.6645 65.9057 31.3912 177.6574 46 E 3.9098 8.4827 119.5623 59.3770 29.3476 179.0647 47 R 3.9623 7.9150 114.1668 59.2478 29.6662 177.6401 48 H 4.9374 7.9840 117.0803 56.3746 28.9340 176.4891 49 L 4.6849 8.2960 118.9782 54.8208 43.1639 178.5373 50 A 4.0324 8.0837 121.5889 54.5596 18.4599 178.1561 51 S 4.6665 7.8865 108.6154 58.0778 63.3558 174.1743 52 L 4.1172 7.3405 120.7564 54.9441 41.9301 177.8175 53 T 4.2123 8.9145 114.2097 61.0528 70.7811 175.8265 54 G 3.7366 8.5968 107.9847 48.3677 0.0000 175.3878 55 D 4.3008 7.9638 120.9245 57.0975 40.9388 178.7892 56 E 3.6558 7.6462 118.4082 59.0968 29.4626 179.1707 57 A 4.0788 8.1523 121.1051 55.1881 18.3628 179.9980 58 R 3.8674 8.0843 116.5559 59.2021 30.0974 178.8853 59 L 3.9622 7.8970 121.6477 57.5571 42.0412 178.8391 60 L 3.8015 8.4095 120.2842 57.8515 41.7492 178.6592 61 A 3.2964 7.8573 119.6948 54.9072 18.7537 179.0971 62 A 4.0673 8.0703 119.2530 55.4706 18.5242 179.9058 63 L 4.2310 8.4466 119.3336 57.3107 41.4070 179.8820 64 S 3.8208 7.6917 113.6773 60.8104 62.8881 175.6673 65 D 4.4345 7.4073 120.9094 55.1508 40.7032 177.0503 66 G 3.9476 7.7383 107.5761 44.9372 0.0000 174.4083 67 S 4.0095 7.7450 115.8066 58.3136 63.5177 172.7458 68 A 4.7801 7.5692 123.7437 50.2173 22.1425 175.0930 69 F 4.9161 8.5380 116.3555 55.1634 44.0124 174.2648 70 A 4.2574 8.5944 122.2822 52.0772 19.0974 176.8606 71 L 4.9793 9.1052 122.9843 53.1762 45.9786 174.7752 72 L 5.2168 9.3738 128.3414 53.7390 44.5673 174.8814 73 T 5.1436 8.9933 123.1558 61.7722 71.8491 173.0542 74 L 5.1420 8.9135 126.2619 53.5650 43.7879 175.1994 75 Y 5.1702 8.9918 121.7843 56.0253 40.7179 177.1522 76 S 4.1452 9.3668 117.9052 60.6605 63.9588 173.5895 77 G 4.6955 8.3525 106.9529 43.5222 0.0000 172.8090 78 S 4.7200 8.4217 116.2207 56.8895 64.2828 175.4258 79 R 3.8928 8.3335 117.2179 59.1418 28.8026 177.6094 80 F 4.5528 7.7976 114.4761 58.2460 40.0883 176.3768 81 S 4.7329 8.2986 115.5520 57.2169 63.5378 174.4937 82 R 4.1289 7.9732 123.7255 56.9419 31.6669 178.7596 83 G 4.0511 7.6692 105.1223 46.8096 0.0000 175.5428 84 E 4.8380 9.1368 124.1714 53.8385 32.1846 174.1810 85 V 3.6708 8.3976 123.1837 63.2629 31.4604 175.4666 86 L 4.6365 8.5961 127.5263 55.3275 43.7686 176.1562 87 Y 4.6079 7.1199 116.4273 57.0010 41.9384 172.6360 88 R 5.2118 7.4702 123.2267 54.6937 34.7550 173.4792 89 Y 4.7866 9.3018 123.2050 56.1302 42.7359 173.7364 90 S 4.8729 7.2786 118.5987 56.3583 65.8426 172.8126 91 N 4.6550 8.6654 121.9896 52.9119 37.9824 175.9129 92 A 3.8064 7.9988 124.7618 55.3180 19.3647 178.7991 93 G 3.7725 7.8472 105.7757 46.5265 0.0000 176.1204 94 R 3.8170 8.6018 117.9120 59.1269 30.2793 178.6479 95 A 3.9322 8.0940 119.1215 54.5244 18.1319 177.6588 96 A 4.2451 7.6076 115.8796 51.6776 19.3634 178.0831 97 G 3.8459 8.2728 104.6016 45.7674 0.0000 173.8161 98 I 4.2255 7.7387 121.2377 60.2116 37.2307 176.1578 99 Q 4.1177 9.6277 126.3921 58.7349 28.9601 177.2505 100 C 4.5072 8.3362 118.4249 57.2229 27.2590 173.5901 101 N 4.2702 8.2834 122.8688 56.2916 38.9688 176.5981 102 D 4.1990 7.7837 116.7335 56.5997 41.0070 177.5405 103 F 4.8672 7.4957 116.0930 57.1271 39.0772 177.1983 104 I 3.6197 7.2993 121.7849 64.1583 37.6031 177.8980 105 A 4.1140 7.7598 122.4660 54.4342 18.1671 179.4631 106 L 3.9347 7.7405 117.1295 58.1088 41.7221 179.1684 107 Y 4.9878 8.1152 118.4318 60.7756 37.7482 178.5925 108 L 4.1240 8.3657 120.2183 57.6695 41.7523 178.8236 109 N 4.3147 8.4295 117.2674 57.1655 38.8899 176.2518 110 H 4.2143 8.4672 119.3287 59.4653 30.0168 177.2554 111 L 3.9669 8.2589 120.8253 57.6856 41.3231 179.5470 112 F 3.9955 8.7276 118.0418 60.4350 38.6506 177.6052 113 A 4.0875 8.0907 119.4516 54.9097 18.3332 178.7365 114 Q 4.3690 8.2484 114.7083 55.4565 28.6440 177.0992 115 G 4.0469 7.9242 107.9833 46.4076 0.0000 174.9068 116 L 4.3217 7.8246 121.1733 55.9592 42.7612 176.9592 117 V 4.9355 7.2522 110.1029 59.4037 36.0722 174.3149 118 I 4.8947 8.6181 114.8684 59.2214 41.5543 174.0271 119 A 5.1659 8.9683 124.6904 50.7835 20.3666 176.6048 120 S 4.7789 9.2049 118.7816 57.1334 66.2962 173.4350 121 D 4.9204 8.6588 119.1657 53.7851 41.5051 176.3425 122 F 3.9877 8.6845 121.1805 59.1960 39.8135 174.7593 123 T 4.2501 8.1977 123.8532 61.2369 70.5901 174.4932 124 E 3.5887 8.5358 127.9652 59.2652 29.6395 178.6043 125 S 4.2582 7.7735 110.3644 59.8428 63.5596 174.2692 126 L 4.2433 7.8811 121.6687 54.6486 41.7510 177.9785 127 R 4.1892 8.1772 121.1823 60.3905 29.8700 178.5134 128 T 4.0083 7.8900 108.5004 64.7434 68.7790 176.0368 129 D 4.3253 8.0070 122.0125 57.3440 40.7678 178.1164 130 Y 4.2859 7.6236 116.8184 61.0751 38.0337 178.3902 131 E 4.0241 8.2000 119.1410 59.4137 29.4012 179.2058 132 L 4.0173 7.6758 117.5445 58.1972 42.0315 179.0575 133 C 4.4021 8.4828 116.7779 63.1463 27.9009 176.2398 134 E 3.9303 8.2248 118.7874 58.8944 29.0848 179.1213 135 G 3.7434 7.8319 104.2830 45.6424 0.0000 173.7375 136 D 4.4643 7.6138 121.8297 53.9668 42.2369 176.7946 137 S 4.0551 8.8388 120.5812 61.7489 62.5250 176.1968 138 D 4.3440 8.1355 121.0425 57.1821 40.5192 178.2740 139 F 3.9561 8.1960 121.0296 61.4720 39.3370 177.3605 140 R 3.6839 7.9268 117.4693 59.1361 29.7501 179.2502 141 K 3.8130 7.9934 117.9632 59.2519 31.9668 179.2885 142 A 3.8268 7.4094 122.2651 54.3717 18.0305 179.2178 143 Q 3.5481 7.5284 118.0997 59.3377 28.7883 178.7444 144 A 3.8729 7.6487 120.1613 55.0084 18.2189 179.0253 145 E 3.9860 8.1965 117.3006 59.7517 29.5605 179.7677 146 L 3.9803 7.9309 118.9188 57.7106 41.4036 179.3084 147 Q 4.0894 8.1237 119.1197 59.0363 28.9368 177.8697 148 I 3.7450 7.1061 120.2792 64.1016 37.2668 176.4268 149 H 4.8878 8.0413 112.6945 55.5600 30.7664 174.5963 150 L 4.7325 7.8993 120.0127 51.9904 41.6707 175.0192 151 P 4.4042 0.0000 0.0000 64.4260 32.0204 178.2203 152 K 4.2673 7.9267 116.9192 56.2313 32.3323 176.3302 153 L 4.3571 7.3804 121.3882 56.0787 42.3921 176.4082 154 S 4.9446 9.2657 119.0923 56.6672 67.0449 172.4548 155 I 5.1426 8.3915 120.6957 59.6166 39.5187 175.1018 156 R 4.6618 9.1297 126.6375 54.4528 33.1825 174.4091 157 R 4.6205 8.5654 125.4188 56.1938 31.0247 175.4400 158 E 5.0687 9.9057 123.1288 55.1798 34.9333 174.0895 159 T 5.0545 8.8514 116.0784 62.0957 72.4817 173.4794 160 L 4.8404 9.2367 129.8511 54.8698 43.4200 175.8346 161 R 5.0170 8.6750 123.6628 54.2346 35.3323 174.1807 162 I 4.1537 8.1774 121.1923 61.2406 38.7420 175.7338 163 S 4.4796 8.6650 123.7533 57.0022 64.6488 173.3754 164 P 4.2107 0.0000 0.0000 65.7538 30.9005 179.0305 165 L 4.0546 7.9138 117.4023 57.6050 41.5625 179.3609 166 G 3.7118 8.4515 106.1085 48.0681 0.0000 175.8427 167 R 3.9617 8.1982 120.9188 58.8786 29.9968 178.9445 168 Q 3.9850 8.2950 119.4205 59.2997 28.8521 178.4086 169 L 3.9867 8.1666 119.2647 57.2723 41.6891 178.8013 170 W 4.2910 8.4045 127.9615 60.9879 30.7341 177.8446 171 T 4.1283 7.8313 113.9538 66.4838 67.8104 177.4085 172 L 4.0265 8.0075 118.2953 55.5782 41.4413 178.7344 *174 T 4.1085 7.7912 107.8456 60.7971 70.5001 173.7758 175 T 3.9780 7.4286 117.5091 62.3402 68.5137 173.7533 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 34 E 8.44 4.29 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 35 Q 8.01 3.97 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 36 S 8.97 4.57 0.00 4.10 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 37 V 8.08 3.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.93 0.00 0.00 38 P 0.00 4.23 0.00 2.19 2.07 0.00 3.65 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 2.10 2.17 0.00 39 Q 7.82 3.96 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 40 A 7.97 4.11 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 41 Q 8.21 4.13 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 42 T 7.91 4.12 4.37 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 1.20 0.00 0.00 *44 L 7.87 4.28 0.00 1.90 1.80 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.97 3.58 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 1.03 0.00 0.00 0.94 0.00 0.00 46 E 8.48 3.91 0.00 2.14 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 2.30 2.35 0.00 47 R 7.91 3.96 0.00 1.95 2.02 0.00 3.00 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 48 H 7.98 4.94 0.00 3.25 3.40 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.30 4.68 0.00 1.75 1.67 0.93 0.79 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 50 A 8.08 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.67 0.00 3.96 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 52 L 7.34 4.12 0.00 1.68 1.61 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.91 4.21 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 1.30 0.00 0.00 54 G 8.60 3.74 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 0.00 0.00 0.00 55 D 7.96 4.30 0.00 2.26 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.65 3.66 0.00 1.97 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 2.10 1.47 0.00 57 A 8.15 4.08 1.37 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 0.00 0.00 58 R 8.08 3.87 0.00 2.03 1.95 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 59 L 7.90 3.96 0.00 1.57 1.76 0.64 0.52 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 60 L 8.41 3.80 0.00 1.82 1.71 0.83 1.43 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 61 A 7.86 3.30 1.51 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 62 A 8.07 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.45 4.23 0.00 1.68 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.69 3.82 0.00 2.84 2.68 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 65 D 7.41 4.43 0.00 2.77 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 66 G 7.74 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 67 S 7.75 4.01 0.00 3.89 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 68 A 7.57 4.78 1.03 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 0.00 0.00 69 F 8.54 4.92 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 70 A 8.59 4.26 0.92 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 71 L 9.11 4.98 0.00 1.90 1.68 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.37 5.22 0.00 1.73 1.35 1.02 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.99 5.14 4.33 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 0.51 0.00 0.00 74 L 8.91 5.14 0.00 1.62 1.58 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.99 5.17 0.00 2.87 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 76 S 9.37 4.15 0.00 3.90 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 77 G 8.35 4.70 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 0.00 0.00 0.00 78 S 8.42 4.72 0.00 3.94 3.83 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 79 R 8.33 3.89 0.00 1.53 1.82 0.00 2.43 0.00 0.00 2.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 80 F 7.80 4.55 0.00 3.09 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 81 S 8.30 4.73 0.00 3.80 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 82 R 7.97 4.13 0.00 1.59 1.36 0.00 2.72 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.00 83 G 7.67 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 84 E 9.14 4.84 0.00 1.94 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 2.27 2.26 0.00 85 V 8.40 3.67 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 0.49 0.00 0.00 0.71 0.00 0.00 86 L 8.60 4.64 0.00 1.58 1.69 0.94 0.83 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 87 Y 7.12 4.61 0.00 2.95 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 88 R 7.47 5.21 0.00 1.63 1.70 0.00 2.84 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 89 Y 9.30 4.79 0.00 3.43 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 90 S 7.28 4.87 0.00 3.81 3.45 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 91 N 8.67 4.65 0.00 2.89 2.96 0.00 0.00 6.01 7.26 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 92 A 8.00 3.81 0.71 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 0.00 0.00 93 G 7.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.60 3.82 0.00 1.87 1.98 0.00 3.14 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 95 A 8.09 3.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.61 4.25 0.47 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 97 G 8.27 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.74 4.23 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 1.12 0.00 0.00 99 Q 9.63 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 100 C 8.34 4.51 0.00 3.38 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 0.00 101 N 8.28 4.27 0.00 2.77 2.79 0.00 0.00 7.07 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 0.00 102 D 7.78 4.20 0.00 1.62 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 0.00 0.00 0.00 103 F 7.50 4.87 0.00 2.04 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 0.00 0.00 0.00 0.00 104 I 7.30 3.62 1.74 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 1.34 1.25 0.69 0.00 0.00 105 A 7.76 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.74 3.93 0.00 1.73 1.69 0.86 0.92 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 0.00 107 Y 8.12 4.99 0.00 3.13 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 0.00 108 L 8.37 4.12 0.00 1.72 1.93 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.43 4.31 0.00 2.92 3.10 0.00 0.00 6.86 8.20 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 0.00 110 H 8.47 4.21 0.00 3.36 3.68 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.26 3.97 0.00 1.68 1.55 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.73 4.00 0.00 3.19 3.12 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 0.00 113 A 8.09 4.09 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 0.00 114 Q 8.25 4.37 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.96 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 115 G 7.92 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 0.00 116 L 7.82 4.32 0.00 1.65 1.65 0.92 0.62 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 0.00 117 V 7.25 4.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 118 I 8.62 4.89 1.96 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 1.14 0.77 0.94 0.00 0.00 119 A 8.97 5.17 1.44 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 0.00 120 S 9.20 4.78 0.00 3.90 4.07 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 0.00 121 D 8.66 4.92 0.00 2.65 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 F 8.68 3.99 0.00 2.95 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 0.00 123 T 8.20 4.25 4.09 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 1.11 0.00 0.00 124 E 8.54 3.59 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 125 S 7.77 4.26 0.00 3.95 3.91 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 0.00 0.00 0.00 126 L 7.88 4.24 0.00 1.54 0.99 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.18 4.19 0.00 2.18 2.03 0.00 3.17 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 128 T 7.89 4.01 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 1.23 0.00 0.00 129 D 8.01 4.33 0.00 2.63 2.71 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 0.00 130 Y 7.62 4.29 0.00 3.26 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 0.00 131 E 8.20 4.02 0.00 2.23 2.04 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 2.39 2.57 0.00 132 L 7.68 4.02 0.00 1.83 1.79 0.97 1.03 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 0.00 133 C 8.48 4.40 0.00 3.11 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 0.00 134 E 8.22 3.93 0.00 1.96 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 2.26 2.58 0.00 135 G 7.83 3.74 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 0.00 0.00 0.00 136 D 7.61 4.46 0.00 2.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.84 4.06 0.00 3.92 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 0.00 138 D 8.14 4.34 0.00 3.01 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 0.00 139 F 8.20 3.96 0.00 2.42 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 0.00 140 R 7.93 3.68 0.00 2.11 1.90 0.00 3.22 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 141 K 7.99 3.81 0.00 1.85 1.74 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 142 A 7.41 3.83 0.19 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 0.00 0.00 143 Q 7.53 3.55 0.00 1.50 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 144 A 7.65 3.87 1.25 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 0.00 0.00 145 E 8.20 3.99 0.00 2.06 1.94 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 2.27 2.40 0.00 146 L 7.93 3.98 0.00 1.69 1.65 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.12 4.09 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 148 I 7.11 3.74 1.82 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 1.43 0.69 0.59 0.00 0.00 149 H 8.04 4.89 0.00 3.11 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.90 4.73 0.00 1.78 1.56 0.93 0.77 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 0.00 151 P 0.00 4.40 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 152 K 7.93 4.27 0.00 1.79 1.91 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 153 L 7.38 4.36 0.00 1.82 1.66 0.91 0.82 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 0.00 154 S 9.27 4.94 0.00 3.90 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 0.00 155 I 8.39 5.14 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.08 0.00 0.00 156 R 9.13 4.66 0.00 1.94 2.02 0.00 2.93 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 157 R 8.57 4.62 0.00 1.48 0.99 0.00 2.93 0.00 0.00 2.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 158 E 9.91 5.07 0.00 1.97 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 0.00 2.33 2.39 0.00 159 T 8.85 5.05 4.33 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 1.23 0.00 0.00 160 L 9.24 4.84 0.00 1.87 1.80 1.01 0.79 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 0.00 161 R 8.68 5.02 0.00 1.76 1.69 0.00 3.17 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 162 I 8.18 4.15 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.80 0.00 0.00 163 S 8.67 4.48 0.00 3.90 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 0.00 164 P 0.00 4.21 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 165 L 7.91 4.05 0.00 1.83 1.66 0.92 0.89 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 0.00 166 G 8.45 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 0.00 0.00 0.00 167 R 8.20 3.96 0.00 2.03 2.01 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 168 Q 8.29 3.99 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 169 L 8.17 3.99 0.00 1.85 1.75 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 170 W 8.40 4.29 0.00 3.50 3.31 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 0.00 171 T 7.83 4.13 4.45 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 1.24 0.00 0.00 172 L 8.01 4.03 0.00 1.83 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *174 T 7.79 4.11 4.11 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 0.74 0.00 0.00 175 T 7.43 3.98 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.