NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8014 8.2133 109.7343 45.5625 0.0000 174.1579 *2 I 3.9732 7.4113 123.0420 61.4600 39.6428 177.7903 3 L 4.7260 7.6695 117.5983 54.5201 42.4987 175.9689 4 S 5.2826 7.6996 113.2886 56.6498 66.2856 173.1881 5 A 5.0175 9.1482 121.9104 50.4550 22.7814 174.6225 6 E 5.3091 8.7628 119.2744 54.7947 33.4214 174.5996 7 Q 4.9381 9.3352 126.2803 54.9349 32.9924 173.3787 8 S 5.4139 8.7336 120.0444 57.0848 66.4832 172.6925 9 F 5.0208 8.5032 116.1938 56.8655 41.4525 172.3584 10 T 5.1680 8.8700 108.5108 60.0844 71.5630 173.4734 11 L 4.8860 8.5345 121.5637 53.2978 45.8261 176.0458 12 R 4.3819 8.4994 121.6754 55.4108 31.3551 175.6122 13 H 4.3031 9.2330 123.9492 54.4266 29.8340 174.1201 14 P 4.4151 0.0000 0.0000 65.1256 31.2133 176.5136 15 H 4.6878 8.3269 114.7687 55.4598 29.4945 174.3186 16 G 3.8172 7.9720 106.2673 44.2598 0.0000 174.1186 17 Q 3.8703 8.8004 117.5568 59.1443 28.9730 178.2048 18 A 3.9491 8.0224 121.0413 55.2979 18.3648 179.3071 19 A 3.9111 7.9506 118.4285 55.1475 18.4936 179.5027 20 A 3.9602 8.2477 119.7115 55.2998 18.2385 179.8881 21 L 3.9498 8.4282 116.4953 57.8521 42.0664 179.2635 22 A 4.1632 8.0540 120.7338 55.0513 18.0224 179.3085 23 F 4.0851 8.5488 119.3537 61.7999 39.3518 177.7721 24 V 3.9228 8.0847 109.6475 63.4207 31.4599 177.6819 25 R 4.5300 7.4614 115.7940 55.3749 31.6323 176.4565 26 E 4.5794 7.5684 120.9423 52.8288 29.5960 174.0613 27 P 4.2527 0.0000 0.0000 64.9978 31.7033 178.2744 28 A 3.8788 7.9741 119.9221 54.9732 18.0654 179.2348 29 A 3.8247 7.7823 116.7854 55.2314 18.6852 179.2095 30 A 3.9076 7.5262 118.6923 55.3794 18.3750 179.9731 31 L 3.9218 8.3206 117.3716 57.5241 41.3871 179.5075 32 A 4.0671 7.6779 120.1267 54.7822 18.6269 179.4392 33 G 3.8025 7.8681 103.8567 45.7781 0.0000 173.3869 34 V 3.8227 7.6357 122.7539 61.6896 31.4353 176.8718 35 R 3.7755 8.2232 124.9723 58.9411 29.3926 177.5159 36 F 4.5306 7.5560 114.5235 57.8437 39.2806 174.7550 37 L 4.7385 7.6556 121.8146 52.9830 43.0865 175.8842 38 R 4.6111 8.7901 123.5101 55.2223 32.6610 175.2259 39 G 4.1697 8.7595 108.6014 46.2027 0.0000 173.8263 40 L 4.1852 7.8819 118.6952 55.0657 42.2450 176.2860 41 D 4.3065 8.1033 121.3120 53.5705 45.1757 173.4824 42 S 4.7266 7.7385 114.4149 57.6076 65.2099 173.5795 43 D 4.9139 8.8785 123.2015 52.9564 39.6527 176.3747 44 G 4.1598 8.4185 110.7425 45.7588 0.0000 174.8141 45 E 4.5271 8.3275 117.6963 57.6158 31.7186 176.2803 46 Q 5.2675 9.1823 117.0292 54.0864 33.8369 174.7643 47 V 4.8339 9.0779 121.0171 59.8612 34.8637 174.4858 48 W 5.0556 7.9474 118.9448 55.4154 32.1408 174.3911 49 G 3.9859 7.0530 106.3983 45.9626 0.0000 171.8417 50 E 5.3407 8.3574 116.9896 55.2423 33.5305 174.4494 51 L 5.1091 9.1930 121.3647 53.2097 44.9057 175.2106 52 L 5.1042 8.5076 121.7569 53.2158 43.6936 175.8455 53 V 4.4289 8.9431 124.3536 60.6919 33.6574 174.3086 54 T 4.9882 8.4868 124.9824 62.5371 69.6083 174.5888 55 V 4.5756 8.6292 119.2027 58.3736 36.2081 173.6982 56 P 4.4681 0.0000 0.0000 64.3400 31.8861 176.2113 57 L 4.1936 8.7895 126.9473 55.8210 40.0457 176.2709 58 L 4.1821 7.8622 115.7184 55.4286 43.0947 178.9691 59 G 3.8482 7.8938 107.3201 46.4993 0.0000 174.9456 60 E 4.5832 8.8460 127.1400 55.7545 30.1239 175.4139 61 V 4.4644 8.9513 126.2943 60.8977 33.7700 174.1875 62 D 5.1509 8.8158 128.2016 52.9296 40.7677 175.5468 63 L 4.9593 9.1489 123.2859 52.2942 44.2392 174.5322 64 P 5.3056 0.0000 0.0000 62.6337 33.4435 174.9715 65 F 5.6553 8.9818 114.8331 55.8034 41.9601 173.4353 66 R 5.3554 8.7994 119.6652 55.5098 33.5237 173.7036 67 S 5.3062 9.6911 121.9787 56.5945 67.5263 172.8454 68 E 4.4667 9.5831 125.1615 56.1636 30.8133 175.5157 69 I 4.5654 8.5785 128.5401 60.5470 38.2585 175.3654 70 V 4.3102 8.7177 128.5268 60.8544 33.6109 174.4916 71 R 4.5771 8.7048 129.4909 56.1509 30.6487 175.6044 72 T 4.6708 8.4246 115.9527 58.7854 71.5561 173.3841 73 P 4.2261 0.0000 0.0000 64.9953 31.4909 177.5065 74 Q 4.5757 8.2266 113.6851 55.0603 31.1262 177.0985 75 G 4.5540 7.0246 111.7149 46.2537 0.0000 175.2177 76 A 5.0128 6.5571 124.1537 50.9447 23.1808 175.4445 77 E 5.0929 9.4333 118.0806 54.6006 34.5692 174.8229 78 L 5.1713 8.8353 122.1253 53.1589 44.5150 175.6450 79 R 4.9194 8.8479 123.6837 53.3718 32.5843 173.7989 80 P 4.9142 0.0000 0.0000 63.0004 32.1086 175.8296 81 L 4.6204 8.7519 123.1016 53.8077 43.2801 176.6265 82 T 3.7617 8.3461 119.6145 63.1295 68.8757 174.8122 83 L 4.0120 5.6200 126.4824 52.6413 43.3627 176.3835 84 T 3.9276 7.7021 110.0320 61.8944 67.9158 174.5727 85 G 4.1410 8.5102 110.9094 45.7643 0.0000 175.4356 86 E 4.1702 8.0896 118.5757 58.2953 29.9729 176.5746 87 R 4.9077 7.3622 114.1294 54.1115 32.9108 174.9402 88 A 4.6462 8.7015 121.8716 52.3593 19.4529 176.5119 89 W 5.3822 8.8651 116.8899 55.5012 32.4839 173.4270 90 V 4.8930 9.2672 118.9220 61.1050 34.2793 174.5002 91 A 4.9158 9.1429 129.3049 50.5667 20.8295 175.7841 92 V 4.3814 8.5719 123.0693 61.7540 32.9100 175.0775 93 S 5.0452 8.7416 124.6301 57.0465 66.2061 173.5356 94 G 4.1551 8.4778 108.2332 45.3674 0.0000 172.0342 95 Q 5.0547 8.7390 120.1645 53.8544 33.4163 174.2228 96 A 5.4724 9.0658 123.7477 49.8088 22.9219 175.0750 97 T 4.9960 8.0609 109.7797 59.7156 72.2913 172.9258 98 A 4.8074 8.9016 124.9398 50.2675 21.3880 176.2316 99 A 4.4453 8.9259 126.5839 50.0780 20.7595 176.1021 100 E 4.2582 8.3083 117.8231 57.9096 29.9922 177.5066 101 G 3.8615 8.5941 110.5942 44.9045 0.0000 174.3736 102 G 3.8419 8.2993 107.7893 45.2720 0.0000 173.2128 103 E 4.2295 7.7573 120.8493 54.9749 31.1595 174.5533 *105 A 4.1979 8.1576 120.4145 51.6311 20.1805 175.6929 106 F 5.1281 8.8931 120.6534 55.4147 42.8896 174.3041 107 A 5.1727 8.5585 123.4245 50.3219 22.5297 174.9901 108 F 5.1687 9.7512 120.6490 55.6906 43.3451 174.1673 109 Q 5.0613 8.9908 120.9907 54.1289 32.7713 174.2253 110 F 5.3176 9.4872 121.9599 55.6801 42.6705 174.0282 111 Q 4.8990 9.0614 123.5732 54.1993 32.0235 173.7116 112 A 4.5665 9.0258 129.4670 51.7261 19.8745 176.3837 113 H 4.3338 8.7809 120.8184 53.8770 29.9729 174.2773 114 L 4.6696 8.1939 122.9631 53.7716 42.7575 177.0329 115 A 4.4386 8.6592 125.1986 52.9780 19.5471 178.0566 116 T 4.3905 8.2189 111.1308 59.0385 72.4010 174.9234 *124 G 3.8915 8.3513 115.4460 44.4106 0.0000 172.3411 125 A 4.0392 8.5605 119.0360 55.0806 18.0567 179.9511 126 A 3.9373 7.9135 118.2100 55.2258 18.6400 179.1360 127 F 4.0880 8.1649 117.5873 61.5196 39.7997 176.7129 128 E 4.2351 8.2774 117.7966 59.1655 29.1005 180.0698 129 K 4.2215 7.8322 115.8145 56.9182 31.8362 179.0371 *131 V 3.8346 7.7479 120.9393 63.0603 33.2586 177.5871 132 Q 3.9391 8.2214 118.6151 58.6693 28.3814 178.5804 133 A 3.8992 8.2778 121.9857 55.0737 18.5625 179.5405 134 A 3.8493 7.8673 118.5842 55.1401 18.5350 179.5285 135 A 3.9813 8.3270 119.7575 55.2634 18.4921 180.0572 136 G 3.5981 8.3226 104.5936 48.1581 0.0000 176.0581 137 R 3.8656 8.0624 120.5575 59.1845 29.9099 179.3377 138 T 3.7026 7.7051 115.1891 66.4934 68.3795 176.7202 139 L 3.6853 7.7926 120.7591 57.8560 41.5870 179.5204 140 E 3.8258 8.1142 118.4527 59.1895 29.0920 179.4262 141 R 3.5627 7.6027 118.0272 59.1447 30.2278 178.5222 142 V 3.6203 7.4194 117.7351 65.7843 31.6467 177.6464 143 A 3.9631 7.5982 120.5960 55.3903 18.0542 179.8841 144 K 4.0808 8.0178 114.8002 58.6758 32.4019 178.5559 145 A 4.3674 7.5392 119.7727 52.6102 18.9352 179.0679 146 L 3.7932 7.4408 118.0730 57.0861 41.6277 177.6541 147 P 3.2657 0.0000 0.0000 65.1122 31.3730 178.0767 148 E 3.9211 8.0063 117.6907 59.2401 29.2840 178.8901 149 G 3.6006 7.6998 104.1578 47.6002 0.0000 175.3674 150 L 4.2831 8.1685 121.9992 57.3254 41.7346 179.4718 151 A 4.0310 8.3471 120.6459 54.9474 18.0283 179.4039 152 A 4.1719 7.8736 118.1200 54.3721 18.5264 178.9890 153 G 4.0027 7.8899 102.2848 44.3629 0.0000 173.6403 154 L 4.4498 6.8715 120.7118 52.2562 43.3013 174.9628 155 P 4.4007 0.0000 0.0000 61.8907 32.0352 174.9146 156 P 4.3997 0.0000 0.0000 63.0863 31.5239 175.9804 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 0 G 8.21 3.80 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 0.00 0.00 0.00 *2 I 7.41 3.97 1.84 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 1.39 0.64 0.87 0.00 0.00 3 L 7.67 4.73 0.00 1.54 1.59 0.86 0.69 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 4 S 7.70 5.28 0.00 4.02 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 5 A 9.15 5.02 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 6 E 8.76 5.31 0.00 2.00 1.84 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 2.39 2.27 0.00 7 Q 9.34 4.94 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 8 S 8.73 5.41 0.00 3.95 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 9 F 8.50 5.02 0.00 3.19 3.20 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 10 T 8.87 5.17 4.29 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 1.22 0.00 0.00 11 L 8.53 4.89 0.00 1.91 1.66 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.50 4.38 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 13 H 9.23 4.30 0.00 3.04 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.42 0.00 2.18 2.13 0.00 3.41 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 15 H 8.33 4.69 0.00 3.21 3.35 0.00 5.66 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 16 G 7.97 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 17 Q 8.80 3.87 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 18 A 8.02 3.95 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 19 A 7.95 3.91 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 20 A 8.25 3.96 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 21 L 8.43 3.95 0.00 1.75 1.76 0.92 1.05 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 22 A 8.05 4.16 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 23 F 8.55 4.09 0.00 3.33 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.08 3.92 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 1.11 0.00 0.00 1.04 0.00 0.00 25 R 7.46 4.53 0.00 2.00 1.96 0.00 3.24 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 26 E 7.57 4.58 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 27 P 0.00 4.25 0.00 2.35 2.35 0.00 3.74 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 2.08 2.06 0.00 28 A 7.97 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.78 3.82 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 30 A 7.53 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.32 3.92 0.00 1.79 1.77 1.03 0.60 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 32 A 7.68 4.07 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 33 G 7.87 3.80 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 0.00 0.00 0.00 34 V 7.64 3.82 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 0.99 0.00 0.00 0.88 0.00 0.00 35 R 8.22 3.78 0.00 1.51 1.77 0.00 2.54 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 36 F 7.56 4.53 0.00 3.06 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 37 L 7.66 4.74 0.00 1.85 1.76 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.79 4.61 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 39 G 8.76 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 0.00 0.00 0.00 40 L 7.88 4.19 0.00 1.49 1.52 1.09 1.18 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 41 D 8.10 4.31 0.00 2.35 1.54 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 42 S 7.74 4.73 0.00 3.59 3.44 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 43 D 8.88 4.91 0.00 2.88 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 44 G 8.42 4.16 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 0.00 0.00 0.00 45 E 8.33 4.53 0.00 2.12 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 2.36 2.37 0.00 46 Q 9.18 5.27 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 47 V 9.08 4.83 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 1.12 0.00 0.00 0.95 0.00 0.00 48 W 7.95 5.06 0.00 3.27 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 49 G 7.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.36 5.34 0.00 2.20 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 2.44 2.37 0.00 51 L 9.19 5.11 0.00 1.74 1.63 1.16 0.82 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 52 L 8.51 5.10 0.00 1.57 1.63 1.01 0.90 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 53 V 8.94 4.43 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 1.07 0.00 0.00 0.93 0.00 0.00 54 T 8.49 4.99 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 55 V 8.63 4.58 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 0.78 0.00 0.00 0.99 0.00 0.00 56 P 0.00 4.47 0.00 2.04 2.00 0.00 3.71 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 1.99 2.10 0.00 57 L 8.79 4.19 0.00 1.85 1.88 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.86 4.18 0.00 1.67 1.76 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.89 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 60 E 8.85 4.58 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 61 V 8.95 4.46 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 0.84 0.00 0.00 1.02 0.00 0.00 62 D 8.82 5.15 0.00 2.79 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 63 L 9.15 4.96 0.00 1.70 1.76 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 5.31 0.00 2.17 2.22 0.00 4.05 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 65 F 8.98 5.66 0.00 3.38 3.35 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 66 R 8.80 5.36 0.00 1.89 1.79 0.00 2.84 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 67 S 9.69 5.31 0.00 3.94 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 68 E 9.58 4.47 0.00 2.07 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 2.34 2.33 0.00 69 I 8.58 4.57 1.91 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 1.16 0.75 0.93 0.00 0.00 70 V 8.72 4.31 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 0.88 0.00 0.00 0.95 0.00 0.00 71 R 8.70 4.58 0.00 1.87 1.82 0.00 3.24 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 72 T 8.42 4.67 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 1.24 0.00 0.00 73 P 0.00 4.23 0.00 2.04 2.15 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 74 Q 8.23 4.58 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 75 G 7.02 4.55 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 0.00 76 A 6.56 5.01 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 77 E 9.43 5.09 0.00 1.81 1.81 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 2.14 2.21 0.00 78 L 8.84 5.17 0.00 1.64 1.62 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.85 4.92 0.00 1.75 1.85 0.00 3.14 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 80 P 0.00 4.91 0.00 2.27 2.28 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 81 L 8.75 4.62 0.00 1.61 1.58 0.95 0.86 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 82 T 8.35 3.76 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 1.21 0.00 0.00 83 L 5.62 4.01 0.00 0.27 1.02 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.70 3.93 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 1.10 0.00 0.00 85 G 8.51 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 0.00 0.00 0.00 0.00 86 E 8.09 4.17 0.00 2.11 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 0.00 2.30 2.25 0.00 87 R 7.36 4.91 0.00 1.97 1.95 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 88 A 8.70 4.65 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 89 W 8.87 5.38 0.00 3.70 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 90 V 9.27 4.89 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 0.99 0.00 0.00 1.04 0.00 0.00 91 A 9.14 4.92 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 92 V 8.57 4.38 1.84 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 0.49 0.00 0.00 0.47 0.00 0.00 93 S 8.74 5.05 0.00 3.83 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 94 G 8.48 4.16 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 0.00 0.00 0.00 95 Q 8.74 5.05 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 96 A 9.07 5.47 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 5.00 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 1.10 0.00 0.00 98 A 8.90 4.81 1.17 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 0.00 0.00 99 A 8.93 4.45 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 0.00 100 E 8.31 4.26 0.00 2.34 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 2.27 1.88 0.00 101 G 8.59 3.86 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 0.00 0.00 0.00 102 G 8.30 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 0.00 103 E 7.76 4.23 0.00 2.01 1.84 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 2.36 2.31 0.00 *105 A 8.16 4.20 1.10 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 0.00 0.00 0.00 0.00 0.00 106 F 8.89 5.13 0.00 1.74 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 0.00 107 A 8.56 5.17 1.13 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 0.00 0.00 108 F 9.75 5.17 0.00 3.01 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.99 5.06 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 110 F 9.49 5.32 0.00 2.96 2.91 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 0.00 111 Q 9.06 4.90 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 112 A 9.03 4.57 1.14 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 0.00 0.00 113 H 8.78 4.33 0.00 1.40 2.52 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.19 4.67 0.00 1.52 1.60 0.90 0.84 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 0.00 115 A 8.66 4.44 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 0.00 116 T 8.22 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *124 G 8.35 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 0.00 0.00 0.00 125 A 8.56 4.04 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 0.00 126 A 7.91 3.94 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 0.00 127 F 8.16 4.09 0.00 3.04 3.26 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 0.00 128 E 8.28 4.24 0.00 2.26 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 2.47 2.71 0.00 129 K 7.83 4.22 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.58 7.81 *131 V 7.75 3.83 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 1.06 0.00 0.00 0.58 0.00 0.00 132 Q 8.22 3.94 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 133 A 8.28 3.90 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 0.00 134 A 7.87 3.85 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 0.00 135 A 8.33 3.98 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 0.00 136 G 8.32 3.60 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 0.00 0.00 0.00 137 R 8.06 3.87 0.00 1.93 1.89 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 138 T 7.71 3.70 4.34 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 1.18 0.00 0.00 139 L 7.79 3.69 0.00 1.73 1.57 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.11 3.83 0.00 1.87 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 2.39 2.40 0.00 141 R 7.60 3.56 0.00 1.59 1.62 0.00 2.96 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 142 V 7.42 3.62 1.66 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 0.58 0.00 0.00 0.83 0.00 0.00 143 A 7.60 3.96 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 0.00 144 K 8.02 4.08 0.00 1.71 1.82 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.51 7.81 145 A 7.54 4.37 1.54 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 0.00 146 L 7.44 3.79 0.00 1.79 1.67 0.88 0.27 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 0.00 147 P 0.00 3.27 0.00 1.78 1.42 0.00 3.46 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.56 0.00 148 E 8.01 3.92 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 2.33 2.34 0.00 149 G 7.70 3.60 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 0.00 0.00 0.00 150 L 8.17 4.28 0.00 1.87 1.83 0.99 0.77 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 0.00 151 A 8.35 4.03 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 0.00 152 A 7.87 4.17 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 0.00 153 G 7.89 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 0.00 154 L 6.87 4.45 0.00 1.67 1.34 0.76 -0.01 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 0.00 155 P 0.00 4.40 0.00 1.85 1.96 0.00 3.33 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 1.78 2.06 0.00 156 P 0.00 4.40 0.00 2.16 2.01 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.