NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.1228 8.2644 123.5958 52.0075 20.5368 177.1250 10 R 4.2310 7.9356 120.4355 57.4357 32.1149 176.5906 11 F 4.4012 9.2597 112.4732 59.2357 38.7377 175.5181 12 R 4.0674 6.9811 119.2284 57.0748 30.2671 177.8382 13 K 3.9494 7.8532 117.1767 57.4621 32.2727 177.0527 14 V 4.2964 7.0237 119.3257 60.3264 33.1099 177.2403 15 D 4.6163 8.4213 124.9804 52.2756 38.3313 176.3024 16 V 3.7590 7.9302 122.9999 66.2955 31.7372 176.4620 17 D 4.4574 8.2596 117.6810 57.1864 40.3036 178.4869 18 E 3.7452 8.2788 119.0651 58.5592 29.3110 177.5269 19 Y 4.6549 6.8636 114.3806 57.5704 38.6808 174.9115 20 D 4.5752 7.7424 121.3062 53.6078 41.9571 176.4329 21 E 4.6712 8.6534 129.7426 54.3195 27.4356 175.1708 22 N 4.4958 7.3591 114.6186 52.7537 42.8275 175.2286 23 K 4.2105 8.0731 120.7102 55.7993 32.9248 176.2697 24 F 4.4659 8.5521 126.6759 57.9339 40.1114 174.9330 25 V 4.2919 6.7153 125.4546 61.2424 35.3044 173.3182 26 D 4.6963 7.8688 133.2228 53.8093 39.3548 179.2029 *35 A 4.2185 8.7651 131.7029 51.7868 20.0603 176.3596 36 G 4.0810 7.2557 100.4840 43.1277 0.0000 171.7508 37 P 4.3790 0.0000 0.0000 62.2297 32.1918 176.4325 38 D 4.6134 8.3012 118.9254 53.0173 40.2469 176.4467 39 E 3.9722 8.6967 125.9542 59.5206 29.6204 179.3692 40 G 3.7294 8.2177 104.8326 47.9515 0.0000 174.9023 41 E 3.9550 8.4046 121.4832 58.9619 29.5920 179.1622 42 V 3.5403 7.6443 117.6610 66.2249 31.7398 177.3540 43 D 4.3782 8.6147 118.9329 57.5506 40.5938 178.9526 44 S 4.0666 8.5083 113.6798 61.7702 62.2389 176.1603 45 C 4.2857 7.9328 118.9543 62.6632 27.7877 175.8685 46 L 4.0137 8.3491 121.1124 57.9529 41.0853 179.5956 47 R 3.9686 8.0823 117.5144 59.2803 30.2047 177.8199 48 Q 4.1510 7.6367 113.0121 55.8124 29.0174 176.8533 49 G 3.8988 8.6305 106.8709 46.0597 0.0000 175.1720 50 N 4.6586 7.4762 119.2417 51.7792 36.5668 175.3745 51 M 3.9787 7.8160 124.2226 58.5666 32.4174 177.8861 52 T 4.2794 7.9945 112.9394 65.7189 68.8249 175.2292 53 A 4.4377 7.7602 122.2552 53.9941 19.6313 179.1007 54 A 3.9640 8.0187 119.3558 55.0557 18.3015 179.4509 55 L 3.9304 8.0841 118.5644 58.6424 42.1121 178.9085 56 Q 4.0478 8.1970 116.3443 59.0658 28.7453 178.6527 57 A 4.1292 8.2127 121.0086 55.1428 18.5199 179.2865 58 A 4.0575 8.0254 118.3827 54.3988 19.8304 179.1773 59 L 4.4827 7.9679 119.1986 52.3599 38.7765 176.3093 60 K 4.4781 7.1158 118.8559 56.0792 36.4234 175.3264 61 N 4.1203 8.7657 120.2687 53.5652 35.9595 172.7182 62 P 4.5559 0.0000 0.0000 62.2987 32.6645 176.6452 63 P 4.6273 0.0000 0.0000 62.2787 29.8134 178.0538 64 I 3.7837 7.6666 118.7764 63.3235 38.4481 175.5862 65 N 4.9769 7.8958 114.3425 52.6243 39.7848 174.5864 66 T 4.0023 7.4587 108.1493 61.7670 69.2353 174.2704 67 K 4.3084 8.5112 123.2814 56.2884 33.1622 175.6616 68 S 4.7987 7.5566 112.8469 57.5011 64.3951 174.6434 69 Q 4.0858 8.7245 126.0624 58.8144 28.6221 178.1771 70 A 4.0091 8.1105 121.7264 55.3586 18.1740 179.7238 71 V 3.5686 7.4016 116.1402 65.0302 31.2392 178.6370 72 K 3.9526 7.6326 118.0656 59.2419 32.0144 178.9033 73 D 4.3946 8.7378 119.3947 57.4385 40.6528 178.9582 74 R 3.8297 8.3063 119.2070 59.5286 30.1096 178.3734 75 A 4.0125 7.8756 120.1706 55.0585 18.3390 179.5393 76 G 3.6091 8.3884 104.5944 48.3050 0.0000 175.9827 77 S 4.0633 8.0481 117.5209 61.1977 62.6530 176.7261 78 I 3.5581 7.4068 122.0991 64.4334 36.7646 178.7157 79 V 3.3114 7.4089 118.8571 65.6518 31.1882 177.7932 80 L 3.6450 7.8974 120.5091 57.9594 41.7621 178.6973 81 K 3.8112 8.5256 120.0990 59.4656 31.7624 178.9861 82 V 3.6155 7.0887 117.5499 65.9208 31.9772 177.4173 83 L 3.6356 7.6776 118.9254 57.9767 41.1396 179.7434 84 I 3.8359 7.7798 118.2591 64.5308 37.2199 178.3831 85 S 4.3351 7.7693 113.4709 59.4963 62.8287 174.7204 86 F 4.4290 7.6510 120.4086 56.7121 39.9379 174.7800 87 K 4.5469 8.1835 121.0121 55.3181 33.6258 177.5381 88 A 3.3151 7.3045 121.3093 54.2387 20.1588 177.8448 89 N 4.5239 8.1389 114.0133 53.9231 39.4605 175.8116 90 D 4.8150 8.8156 121.5246 54.4187 41.5022 178.4116 91 I 3.1687 7.4647 121.6270 63.9873 37.1335 177.2577 92 E 3.7323 7.9422 119.6250 59.4406 29.0616 178.5556 93 K 3.8008 8.0467 116.9757 59.5605 32.4656 177.9135 94 A 4.2138 7.4717 119.9081 55.3674 18.4017 179.6343 95 V 3.6185 7.8695 116.8383 66.3247 31.3906 177.7126 96 Q 4.2854 8.1260 115.0914 57.1348 28.5556 176.7455 97 S 4.6418 7.7630 114.1620 57.8678 63.6063 173.8467 98 L 4.7413 7.5656 121.1599 53.1810 43.7059 175.8903 99 D 4.7658 8.2141 120.3357 52.2091 41.0687 177.3315 100 K 3.8860 8.7375 119.6339 60.2048 31.8708 179.1661 101 N 4.4614 8.2188 116.1762 55.9640 38.4058 177.5798 102 G 3.5442 8.5269 107.6723 47.9651 0.0000 176.0040 103 V 3.6542 7.8180 120.8788 65.4469 31.4787 177.6659 104 D 4.3026 8.2818 118.8089 57.3165 40.5321 178.2861 105 L 3.7983 7.5621 119.3201 58.3533 42.3266 178.1034 106 L 4.0245 8.3118 120.2490 58.5997 41.9568 178.3225 107 M 3.9998 8.4919 117.5610 59.1510 32.0077 178.7868 108 K 4.0236 8.0363 118.1783 59.6811 32.0951 178.9549 109 Y 4.3252 8.2957 117.4539 60.8907 37.7255 178.1005 110 I 3.4176 7.7095 120.4174 64.5484 36.9819 177.9261 111 Y 3.9580 7.7822 116.5002 60.6091 37.9116 178.0423 112 K 4.2691 7.9345 120.9048 59.5529 32.4927 179.1738 113 G 3.5611 8.3599 106.1959 47.5383 0.0000 175.1507 114 F 4.8776 7.5857 117.9727 59.2919 39.0211 176.2604 115 E 4.6039 8.0588 117.2662 55.9180 30.9816 176.5793 116 S 4.6838 7.7251 114.1950 56.2783 63.4292 171.6212 117 P 4.6016 0.0000 0.0000 63.0780 32.5910 175.7696 118 S 4.6760 7.8241 114.1757 57.9727 69.6189 174.9974 119 D 4.4827 7.9620 117.4602 54.7912 44.4720 176.9162 *121 S 4.5726 7.6744 115.3428 58.5472 65.0917 176.3643 122 S 4.2237 8.1517 116.4445 61.4209 62.5149 176.0390 123 A 4.0486 8.1580 121.7448 55.2406 18.1657 179.3966 124 V 3.9603 7.7569 116.5957 64.6638 32.1754 178.4438 125 L 4.0891 8.6436 119.9746 57.4084 41.4649 179.3653 126 L 4.3733 8.5826 119.0572 57.3498 41.5583 179.1525 127 Q 4.1133 8.4605 118.7230 58.2133 28.7062 178.4106 128 W 3.7824 8.0476 119.8142 59.7300 29.2422 177.7496 129 H 4.0501 8.5284 118.2968 59.2659 29.4457 176.4546 130 E 3.9403 8.1489 120.7571 59.6717 29.5239 179.0808 131 K 3.9141 8.0445 117.8245 59.3078 32.1302 179.2562 132 A 4.0177 8.6076 121.3631 55.1821 18.3523 179.4202 133 L 4.0067 8.4996 118.9348 58.2480 41.8688 179.1142 134 A 4.0212 7.7724 119.4709 54.8995 18.3308 179.1116 135 A 4.2261 7.7598 118.4241 55.0860 18.9634 179.7362 136 G 3.7114 8.7119 103.0994 44.2537 0.0000 174.1581 137 G 4.0536 7.9158 112.2927 44.4818 0.0000 175.0685 138 V 3.8180 8.1864 118.2945 64.1137 31.0228 178.5529 139 G 3.6213 8.0534 106.9107 47.6528 0.0000 175.7099 140 S 4.3230 8.0574 115.7037 60.9220 63.1844 176.4177 141 I 3.9404 7.5280 123.3851 64.0993 37.2262 177.8515 142 V 3.5548 7.8184 119.0686 66.2977 31.0811 178.1273 143 R 4.2800 7.8789 117.1508 57.7541 30.1698 178.8021 144 V 3.6655 7.9035 119.4097 65.7933 31.3063 177.9865 145 L 3.9248 7.6482 117.4252 57.7150 41.7248 177.9470 146 T 4.1569 8.0176 106.5950 61.7148 69.3734 174.4895 147 A 4.2011 7.3088 125.8306 52.6646 18.8722 177.5121 148 R 4.3204 8.5657 120.2917 56.3383 31.7893 176.4116 149 K 4.4534 7.9043 116.7096 54.7669 33.0278 175.1096 150 T 4.6272 7.9918 117.3049 59.6555 70.6975 173.9886 151 V 3.8057 8.1917 118.0630 61.8060 31.4856 176.2595 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 9 A 8.26 4.12 1.27 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 0.00 0.00 10 R 7.94 4.23 0.00 1.93 1.98 0.00 3.23 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 11 F 9.26 4.40 0.00 3.20 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 12 R 6.98 4.07 0.00 1.51 1.77 0.00 2.63 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 13 K 7.85 3.95 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 V 7.02 4.30 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 0.79 0.00 0.00 1.08 0.00 0.00 15 D 8.42 4.62 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.93 3.76 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 1.12 0.00 0.00 1.04 0.00 0.00 17 D 8.26 4.46 0.00 2.89 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 18 E 8.28 3.75 0.00 1.16 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 2.33 2.21 0.00 19 Y 6.86 4.65 0.00 2.99 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 20 D 7.74 4.58 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.65 4.67 0.00 2.00 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 2.31 2.29 0.00 22 N 7.36 4.50 0.00 3.08 2.78 0.00 0.00 7.19 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 23 K 8.07 4.21 0.00 1.87 1.70 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.38 7.81 24 F 8.55 4.47 0.00 2.96 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 25 V 6.72 4.29 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 0.77 0.00 0.00 0.88 0.00 0.00 26 D 7.87 4.70 0.00 2.66 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 0.00 0.00 0.00 *35 A 8.77 4.22 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 36 G 7.26 4.08 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 0.00 0.00 0.00 37 P 0.00 4.38 0.00 2.02 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.28 0.00 38 D 8.30 4.61 0.00 2.67 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 39 E 8.70 3.97 0.00 2.03 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 2.41 0.00 40 G 8.22 3.73 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 0.00 0.00 0.00 41 E 8.40 3.96 0.00 2.05 2.07 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 2.31 2.32 0.00 42 V 7.64 3.54 2.21 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 1.04 0.00 0.00 0.98 0.00 0.00 43 D 8.61 4.38 0.00 2.83 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 44 S 8.51 4.07 0.00 3.92 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 45 C 7.93 4.29 0.00 3.20 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 46 L 8.35 4.01 0.00 1.81 1.69 0.91 0.76 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 47 R 8.08 3.97 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 48 Q 7.64 4.15 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 49 G 8.63 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 0.00 0.00 0.00 50 N 7.48 4.66 0.00 2.71 2.77 0.00 0.00 6.98 7.53 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 51 M 7.82 3.98 0.00 0.90 1.67 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 52 T 7.99 4.28 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 1.31 0.00 0.00 53 A 7.76 4.44 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 54 A 8.02 3.96 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 55 L 8.08 3.93 0.00 2.04 1.83 0.81 0.98 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 56 Q 8.20 4.05 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 57 A 8.21 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.03 4.06 1.28 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 0.00 0.00 59 L 7.97 4.48 0.00 1.65 1.72 0.97 0.85 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 60 K 7.12 4.48 0.00 1.67 1.80 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.47 7.81 61 N 8.77 4.12 0.00 2.88 2.91 0.00 0.00 6.75 8.03 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 62 P 0.00 4.56 0.00 2.17 2.14 0.00 3.79 0.00 0.00 3.64 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 63 P 0.00 4.63 0.00 2.24 2.10 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 64 I 7.67 3.78 1.97 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 1.39 0.68 0.90 0.00 0.00 65 N 7.90 4.98 0.00 2.70 2.77 0.00 0.00 6.94 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 66 T 7.46 4.00 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 1.22 0.00 0.00 67 K 8.51 4.31 0.00 1.73 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 68 S 7.56 4.80 0.00 3.88 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 69 Q 8.72 4.09 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 8.11 4.01 1.33 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 0.00 0.00 71 V 7.40 3.57 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 0.84 0.00 0.00 0.94 0.00 0.00 72 K 7.63 3.95 0.00 2.05 1.94 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.63 1.67 7.81 73 D 8.74 4.39 0.00 2.78 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 74 R 8.31 3.83 0.00 1.90 2.13 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 75 A 7.88 4.01 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 76 G 8.39 3.61 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 0.00 77 S 8.05 4.06 0.00 3.98 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 78 I 7.41 3.56 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.84 0.00 0.00 79 V 7.41 3.31 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 0.63 0.00 0.00 -0.01 0.00 0.00 80 L 7.90 3.65 0.00 1.69 1.74 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.53 3.81 0.00 1.87 1.95 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 82 V 7.09 3.62 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 1.13 0.00 0.00 0.94 0.00 0.00 83 L 7.68 3.64 0.00 1.42 0.68 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.78 3.84 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.37 0.95 0.00 0.00 85 S 7.77 4.34 0.00 4.05 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 86 F 7.65 4.43 0.00 3.67 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 87 K 8.18 4.55 0.00 1.85 1.71 0.00 1.51 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 88 A 7.30 3.32 1.23 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 89 N 8.14 4.52 0.00 2.70 2.86 0.00 0.00 6.79 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.82 4.82 0.00 2.98 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 91 I 7.46 3.17 1.36 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 0.62 0.59 -0.84 0.00 0.00 92 E 7.94 3.73 0.00 1.92 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 2.34 2.34 0.00 93 K 8.05 3.80 0.00 1.79 1.87 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 94 A 7.47 4.21 1.56 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 0.00 0.00 95 V 7.87 3.62 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 1.04 0.00 0.00 0.82 0.00 0.00 96 Q 8.13 4.29 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 97 S 7.76 4.64 0.00 4.02 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 98 L 7.57 4.74 0.00 1.82 1.64 0.99 1.09 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 99 D 8.21 4.77 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.74 3.89 0.00 1.79 1.94 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.51 7.81 101 N 8.22 4.46 0.00 2.94 2.87 0.00 0.00 7.04 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 0.00 102 G 8.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.82 3.65 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 1.18 0.00 0.00 0.96 0.00 0.00 104 D 8.28 4.30 0.00 2.91 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 0.00 105 L 7.56 3.80 0.00 1.60 1.85 0.63 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.31 4.02 0.00 1.90 1.81 0.81 1.06 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 0.00 107 M 8.49 4.00 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.87 0.00 108 K 8.04 4.02 0.00 1.78 1.63 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.61 7.81 109 Y 8.30 4.33 0.00 3.07 2.77 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 0.00 110 I 7.71 3.42 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.30 0.00 0.00 111 Y 7.78 3.96 0.00 3.00 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 0.00 112 K 7.93 4.27 0.00 2.08 1.97 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.88 7.81 113 G 8.36 3.56 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 0.00 0.00 0.00 114 F 7.59 4.88 0.00 3.22 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 0.00 115 E 8.06 4.60 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 116 S 7.73 4.68 0.00 3.83 3.76 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 0.00 117 P 0.00 4.60 0.00 2.21 2.11 0.00 3.83 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 2.01 1.97 0.00 118 S 7.82 4.68 0.00 3.81 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 0.00 119 D 7.96 4.48 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 S 7.67 4.57 0.00 4.03 4.18 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 0.00 122 S 8.15 4.22 0.00 3.95 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 0.00 123 A 8.16 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.76 3.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.21 0.00 0.00 125 L 8.64 4.09 0.00 2.02 1.57 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.58 4.37 0.00 1.99 1.80 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.46 4.11 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 128 W 8.05 3.78 0.00 3.52 3.21 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 0.00 129 H 8.53 4.05 0.00 3.28 3.57 0.00 5.61 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 0.00 130 E 8.15 3.94 0.00 2.15 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 2.29 2.38 0.00 131 K 8.04 3.91 0.00 1.80 1.69 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.38 7.81 132 A 8.61 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.50 4.01 0.00 1.76 1.89 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.77 4.02 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 0.00 135 A 7.76 4.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.71 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 0.00 137 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 0.00 138 V 8.19 3.82 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 0.88 0.00 0.00 0.96 0.00 0.00 139 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.06 4.32 0.00 4.05 4.17 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 0.00 141 I 7.53 3.94 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.74 0.90 0.00 0.00 142 V 7.82 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 143 R 7.88 4.28 0.00 1.89 1.94 0.00 3.20 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 144 V 7.90 3.67 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 0.76 0.00 0.00 0.98 0.00 0.00 145 L 7.65 3.92 0.00 1.73 1.64 0.87 0.68 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 0.00 146 T 8.02 4.16 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 1.18 0.00 0.00 147 A 7.31 4.20 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 0.00 148 R 8.57 4.32 0.00 1.82 2.13 0.00 3.34 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 149 K 7.90 4.45 0.00 1.68 1.99 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.44 7.81 150 T 7.99 4.63 4.20 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 1.19 0.00 0.00 151 V 8.19 3.81 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 0.62 0.00 0.00 0.40 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.