NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7472 8.4293 117.3738 53.4684 28.7524 172.3968 7 P 4.2342 0.0000 0.0000 61.9570 32.0128 175.7324 8 I 4.4056 7.8171 120.4873 58.7201 40.1249 174.9726 9 P 4.5146 0.0000 0.0000 61.8732 32.0503 176.0901 10 N 4.4119 8.3846 116.4527 53.3353 39.0075 174.8963 11 R 4.1522 8.3035 121.6621 54.9247 30.8462 174.5586 12 P 4.2943 0.0000 0.0000 62.5862 31.8520 175.9299 13 V 3.9259 8.2903 123.2358 62.0952 32.2598 175.2738 14 L 4.6846 8.1154 126.6842 52.8305 44.1709 176.6384 15 T 4.1557 8.2713 112.7671 62.3285 70.6115 175.7624 16 R 3.9536 8.6650 123.7101 61.9185 29.1151 179.7005 17 A 4.3676 8.3321 123.3795 54.5957 18.1066 180.0710 18 R 4.0040 8.0955 116.2248 59.1842 29.9809 178.7747 19 A 4.3145 8.0967 119.1725 53.7186 18.6919 178.6186 20 S 4.5446 7.7321 110.9263 57.4324 63.7945 174.0920 21 L 3.3822 7.0197 124.5406 53.9890 42.5644 174.8577 22 P 4.2239 0.0000 0.0000 62.6103 31.8079 177.3873 23 L 4.1992 8.4614 121.7962 57.7375 41.9511 178.9224 24 V 3.7160 7.8984 117.7750 64.9173 31.5796 174.6514 25 L 5.4719 7.9131 118.1909 53.2521 45.6042 175.0815 26 Y 4.8788 7.9877 116.1843 56.0932 41.6163 173.7878 27 I 4.7005 8.3248 121.4029 60.3287 39.1182 174.6882 28 D 4.8043 8.5138 126.3636 52.9488 42.0950 176.7535 29 R 3.7027 8.9345 125.8754 59.6291 30.1126 178.1978 30 F 4.3800 7.9961 114.5918 59.6561 39.2490 176.8914 31 L 4.3380 8.3746 119.1480 54.4973 42.4076 177.4398 32 G 3.9681 7.8944 105.2929 47.1047 0.0000 174.0744 33 G 4.3354 8.7637 106.2753 46.2362 0.0000 171.7900 34 V 4.5802 7.7734 117.6459 61.4144 33.7253 174.4770 35 F 5.1077 8.5457 126.5579 55.3353 43.8160 173.9621 36 S 5.0819 8.5787 119.8699 57.7556 64.0521 175.4321 37 K 4.1619 9.2495 128.9606 57.0472 31.7378 175.3577 38 R 4.9767 7.6612 119.2890 55.2256 33.8477 177.7476 39 R 4.2655 8.8605 118.6694 59.5650 30.1824 173.1234 40 I 4.4930 8.6666 124.2143 57.1819 37.9131 171.1012 41 P 4.8794 0.0000 0.0000 60.9650 32.1142 176.6099 42 K 4.0650 9.0999 123.3975 56.6710 32.9269 176.2519 43 R 3.8561 8.3495 121.4389 57.8549 28.0920 176.4590 44 T 4.4367 8.3768 114.5741 61.9564 70.8101 174.1341 45 Q 4.9436 8.3534 127.7290 54.0290 30.2343 174.6253 46 F 4.9698 10.3671 126.5062 56.5394 42.1118 174.7876 47 G 3.9457 9.0275 106.0995 42.8655 0.0000 171.5806 48 P 3.9452 0.0000 0.0000 61.2505 32.2303 177.0716 49 V 2.9998 7.2505 122.4988 63.5849 32.0099 175.2303 50 E 4.5000 9.0202 125.6361 53.4280 33.4592 175.8244 51 G 4.3814 8.2211 111.2190 44.4854 0.0000 169.8947 52 P 4.5392 0.0000 0.0000 62.5799 32.4129 176.0550 53 L 5.1134 8.5384 124.6889 54.6332 43.5977 177.5328 54 V 4.3639 8.7921 124.0245 61.6710 35.4990 176.7467 55 R 4.5467 9.3084 113.0197 57.4408 32.1459 172.1358 56 G 3.5818 8.4102 104.7815 46.0001 0.0000 174.4513 57 S 3.8619 7.9300 116.2630 60.6303 63.6893 175.2406 58 E 3.6882 8.2918 117.9996 57.6903 26.1997 174.9715 59 L 4.8949 7.1146 121.6459 51.9790 44.6858 178.4028 60 K 4.2980 8.7507 122.8074 55.7798 33.1421 176.6975 61 D 4.5843 8.0370 116.5032 54.4360 41.1451 178.3790 62 C 4.3269 7.5200 117.7079 61.8503 28.2837 172.3939 63 Y 4.9375 6.3423 114.8444 54.7524 40.9246 174.4754 64 I 3.9638 8.3652 119.7692 61.3861 38.6595 174.1367 65 H 5.4739 8.7028 122.3423 54.5587 30.7920 174.5331 66 L 5.1227 9.1329 124.1544 53.6758 45.3260 176.3554 67 K 3.7092 8.3067 130.7343 55.2167 31.7048 174.6383 68 V 4.0029 8.0499 122.0703 60.8739 34.7017 174.7030 *84 L 5.1713 7.4423 119.0429 55.0870 42.9977 179.3649 85 W 5.4478 8.3843 117.6809 55.5202 34.3022 173.7446 86 F 5.2013 8.9233 122.2009 57.1915 39.7891 176.9597 87 E 4.3563 9.0234 122.6118 54.4874 29.7712 174.0512 88 L 4.1767 6.3565 134.2414 54.0403 41.7153 178.7963 89 S 4.4888 7.7274 115.5915 59.0416 63.7127 175.9043 90 D 4.9126 7.6043 119.4372 52.2079 43.0057 176.2323 91 E 4.0151 8.7760 126.8089 59.1916 29.7565 178.6563 92 T 4.2446 8.4815 110.0944 63.1381 69.3802 175.6983 93 L 4.6612 7.9701 120.8835 53.7568 43.5888 181.3070 94 C 4.7776 7.8694 116.0839 59.4361 31.0315 172.8465 95 N 5.1257 7.7029 117.6996 50.3346 39.8680 174.5408 96 W 4.8048 8.3823 112.7898 61.3240 27.7796 178.0803 97 M 3.1534 6.5915 118.9829 57.6127 30.9104 177.8921 98 M 3.7370 7.4447 116.4584 57.5658 31.1130 177.5265 99 F 4.8632 7.9189 117.1777 56.6306 39.7631 175.7692 100 V 3.9458 7.5339 119.7281 62.0320 31.2966 175.7292 101 R 4.4027 8.3554 127.1279 55.2124 31.5955 174.2253 102 P 5.0390 0.0000 0.0000 62.3558 31.9234 176.0309 103 A 4.3013 8.7141 126.9928 52.5795 18.6686 177.1552 104 Q 4.2264 9.1558 117.5964 55.4312 30.7330 175.0265 105 N 4.8997 7.3809 114.5736 51.2305 40.3324 174.7523 106 H 4.3632 8.4107 113.2217 57.6409 28.9101 176.7411 107 L 4.1042 7.4993 120.4797 56.8964 41.4767 177.4912 108 E 4.4187 7.7483 114.0040 55.8538 30.4018 175.6020 109 Q 4.4516 7.7775 121.8185 55.9001 29.9218 174.6334 110 N 5.1439 9.0139 119.1254 52.3621 40.0346 173.5089 111 L 5.4799 8.0870 121.4280 53.8304 46.4020 176.1632 112 V 5.5069 8.8355 118.8711 58.7168 35.9840 175.3462 113 A 5.6996 8.6751 125.3026 49.5381 21.4341 175.4036 114 Y 4.3041 7.3291 120.3599 56.1845 41.8835 174.1625 115 Q 4.8699 8.5553 120.5779 55.6408 28.9086 174.1785 116 Y 4.8405 9.5077 123.3936 58.4824 41.8960 175.9728 117 G 4.2065 7.9660 108.9033 45.8823 0.0000 173.6029 118 H 4.7896 8.9767 120.5356 55.7751 28.4864 173.4954 119 H 5.1166 8.0764 116.3538 54.0438 33.6016 172.0783 120 V 4.8446 8.0149 118.1410 61.5288 34.5832 173.7604 121 Y 4.8813 8.5597 123.3286 56.3417 42.7156 173.6273 122 Y 5.4558 8.9218 119.2440 56.7437 40.9877 174.9268 123 T 5.3858 9.2279 121.3217 61.5139 72.1979 173.7742 124 T 4.5548 9.3474 117.7323 62.1915 69.5800 174.6863 125 I 4.5054 8.7852 117.5434 60.8196 38.9210 175.2448 126 K 4.8041 7.7919 121.5949 54.2895 36.7198 174.9769 127 N 4.6865 8.7818 119.7577 53.5670 39.0954 174.7249 128 V 4.3195 9.3646 127.4052 62.1961 33.5005 175.5467 129 E 4.9131 8.6021 124.8091 54.3115 32.1882 171.7309 130 P 4.4270 0.0000 0.0000 65.3617 31.8462 177.2348 131 K 4.1693 8.7026 124.1806 56.3256 29.4345 174.9688 132 Q 4.9584 7.7932 120.0736 54.5407 31.3337 177.4541 133 E 3.1220 8.4417 125.0035 54.5272 30.9453 175.5504 134 L 4.6428 8.1644 128.0311 54.6756 42.6600 176.8270 135 K 4.8397 10.1117 123.4739 54.8498 36.6884 175.6188 136 V 4.7053 8.4602 124.4953 60.0153 34.3142 174.4902 137 W 5.0030 8.3859 130.7902 55.9917 34.8712 173.0207 138 Y 4.7479 6.4922 119.9798 58.5667 37.9550 176.6425 139 A 4.4042 9.2759 125.2355 51.7024 19.8032 178.1292 140 A 4.0899 9.3563 126.1616 56.4662 18.1482 181.2993 141 S 4.1539 8.0827 114.8349 63.6882 62.7831 177.3352 142 Y 4.4708 8.2136 122.6602 60.4734 37.4299 177.7344 143 A 3.6075 8.8005 124.6082 55.4271 18.1404 180.1171 144 E 4.0794 7.8516 118.5651 62.0253 29.8930 183.1731 *145 F 4.3156 7.4747 122.6474 62.0289 38.0878 178.6098 146 V 3.8310 6.4640 123.3361 63.0072 31.5349 178.1861 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 *6 H 8.43 4.75 0.00 2.95 2.97 0.00 7.18 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.25 2.08 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 8 I 7.82 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.91 0.00 0.00 9 P 0.00 4.51 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 N 8.38 4.41 0.00 2.73 2.80 0.00 0.00 6.89 7.66 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 11 R 8.30 4.15 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 12 P 0.00 4.29 0.00 2.07 1.98 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 13 V 8.29 3.93 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 0.81 0.00 0.00 0.94 0.00 0.00 14 L 8.12 4.68 0.00 1.68 1.60 0.92 0.91 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 15 T 8.27 4.16 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 16 R 8.66 3.95 0.00 1.84 2.00 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 17 A 8.33 4.37 1.49 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 0.00 0.00 18 R 8.10 4.00 0.00 1.87 1.97 0.00 3.54 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 19 A 8.10 4.31 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 20 S 7.73 4.54 0.00 4.24 4.15 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 21 L 7.02 3.38 0.00 1.74 1.59 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.22 0.00 1.98 1.89 0.00 2.24 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 23 L 8.46 4.20 0.00 1.61 1.73 0.91 0.89 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 24 V 7.90 3.72 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 1.11 0.00 0.00 0.96 0.00 0.00 25 L 7.91 5.47 0.00 1.17 1.42 0.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.99 4.88 0.00 3.01 2.97 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 27 I 8.32 4.70 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.47 0.69 0.00 0.00 28 D 8.51 4.80 0.00 2.61 2.54 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 29 R 8.93 3.70 0.00 1.19 1.04 0.00 2.86 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 30 F 8.00 4.38 0.00 3.04 3.13 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 31 L 8.37 4.34 0.00 1.73 1.92 0.75 1.02 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 32 G 7.89 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 33 G 8.76 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 0.00 0.00 0.00 0.00 34 V 7.77 4.58 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 0.98 0.00 0.00 1.11 0.00 0.00 35 F 8.55 5.11 0.00 1.75 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 36 S 8.58 5.08 0.00 3.40 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 37 K 9.25 4.16 0.00 1.78 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 38 R 7.66 4.98 0.00 1.53 1.71 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 39 R 8.86 4.27 0.00 1.59 1.76 0.00 3.18 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 40 I 8.67 4.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.91 0.00 0.00 41 P 0.00 4.88 0.00 1.93 2.02 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 42 K 9.10 4.07 0.00 1.88 1.74 0.00 1.80 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 43 R 8.35 3.86 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 44 T 8.38 4.44 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 0.86 0.00 0.00 45 Q 8.35 4.94 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 46 F 10.37 4.97 0.00 3.35 3.41 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 47 G 9.03 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 48 P 0.00 3.95 0.00 1.68 1.51 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 49 V 7.25 3.00 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 -0.36 0.00 0.00 0.20 0.00 0.00 50 E 9.02 4.50 0.00 1.73 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 0.00 2.12 2.24 0.00 51 G 8.22 4.38 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 0.00 52 P 0.00 4.54 0.00 2.12 2.00 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 53 L 8.54 5.11 0.00 1.46 1.47 0.79 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.79 4.36 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 0.71 0.00 0.00 0.93 0.00 0.00 55 R 9.31 4.55 0.00 1.79 1.82 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 56 G 8.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 3.86 0.00 3.83 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 58 E 8.29 3.69 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.86 0.00 59 L 7.11 4.89 0.00 1.61 1.42 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.75 4.30 0.00 1.71 1.57 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 61 D 8.04 4.58 0.00 2.66 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 62 C 7.52 4.33 0.00 3.19 3.07 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 63 Y 6.34 4.94 0.00 3.07 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 64 I 8.37 3.96 1.90 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 1.01 0.00 0.00 65 H 8.70 5.47 0.00 3.37 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.13 5.12 0.00 2.03 1.95 1.06 1.10 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 67 K 8.31 3.71 0.00 1.53 1.59 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.26 7.81 68 V 8.05 4.00 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 0.87 0.00 0.00 0.93 0.00 0.00 *84 L 7.44 5.17 0.00 1.36 1.62 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.38 5.45 0.00 3.16 3.15 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 86 F 8.92 5.20 0.00 3.04 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 87 E 9.02 4.36 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 88 L 6.36 4.18 0.00 0.83 1.27 0.72 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.73 4.49 0.00 3.62 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 90 D 7.60 4.91 0.00 2.61 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 91 E 8.78 4.02 0.00 2.12 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 2.38 2.32 0.00 92 T 8.48 4.24 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 1.23 0.00 0.00 93 L 7.97 4.66 0.00 1.56 1.64 0.92 0.67 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 94 C 7.87 4.78 0.00 2.82 2.60 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 95 N 7.70 5.13 0.00 2.65 2.71 0.00 0.00 7.21 7.83 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 96 W 8.38 4.80 0.00 3.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.59 3.15 0.00 1.03 1.27 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 98 M 7.44 3.74 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.09 0.00 99 F 7.92 4.86 0.00 3.26 3.13 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 0.00 100 V 7.53 3.95 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 0.76 0.00 0.00 1.06 0.00 0.00 101 R 8.36 4.40 0.00 1.81 1.84 0.00 3.42 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 102 P 0.00 5.04 0.00 2.27 2.26 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 103 A 8.71 4.30 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 0.00 104 Q 9.16 4.23 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 105 N 7.38 4.90 0.00 2.71 2.76 0.00 0.00 6.00 7.90 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 0.00 106 H 8.41 4.36 0.00 3.26 3.49 0.00 5.72 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 0.00 107 L 7.50 4.10 0.00 1.82 1.72 0.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.75 4.42 0.00 1.97 2.00 0.00 0.00 0.00 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 2.16 0.00 109 Q 7.78 4.45 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 110 N 9.01 5.14 0.00 2.87 2.96 0.00 0.00 6.45 6.83 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 0.00 111 L 8.09 5.48 0.00 1.42 1.53 0.92 1.17 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 0.00 112 V 8.84 5.51 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 0.87 0.00 0.00 0.93 0.00 0.00 113 A 8.68 5.70 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 0.00 114 Y 7.33 4.30 0.00 3.10 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 0.00 115 Q 8.56 4.87 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.87 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 116 Y 9.51 4.84 0.00 3.10 3.13 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 0.00 117 G 7.97 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 0.00 0.00 0.00 0.00 118 H 8.98 4.79 0.00 3.01 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.08 5.12 0.00 3.25 2.91 0.00 5.75 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.01 4.84 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 0.85 0.00 0.00 1.07 0.00 0.00 121 Y 8.56 4.88 0.00 2.33 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 0.00 122 Y 8.92 5.46 0.00 2.91 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 0.00 123 T 9.23 5.39 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 1.36 0.00 0.00 124 T 9.35 4.55 4.52 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 1.43 0.00 0.00 125 I 8.79 4.51 1.92 0.00 0.00 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 1.32 0.74 0.99 0.00 0.00 126 K 7.79 4.80 0.00 1.71 1.72 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 127 N 8.78 4.69 0.00 2.63 2.80 0.00 0.00 6.81 7.68 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 0.00 128 V 9.36 4.32 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 1.01 0.00 0.00 1.05 0.00 0.00 129 E 8.60 4.91 0.00 1.69 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 1.90 0.00 130 P 0.00 4.43 0.00 2.09 2.10 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 131 K 8.70 4.17 0.00 1.94 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.24 7.81 132 Q 7.79 4.96 0.00 1.68 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 133 E 8.44 3.12 0.00 1.16 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 2.12 1.89 0.00 134 L 8.16 4.64 0.00 1.43 1.54 0.76 0.79 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 0.00 135 K 10.11 4.84 0.00 1.69 1.59 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.23 1.43 7.81 136 V 8.46 4.71 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 0.45 0.00 0.00 -0.02 0.00 0.00 137 W 8.39 5.00 0.00 3.27 2.88 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 0.00 138 Y 6.49 4.75 0.00 2.78 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 A 9.28 4.40 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 9.36 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 0.00 141 S 8.08 4.15 0.00 3.72 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 0.00 142 Y 8.21 4.47 0.00 3.18 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 0.00 143 A 8.80 3.61 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 0.00 144 E 7.85 4.08 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 *145 F 7.47 4.32 0.00 2.38 2.24 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 0.00 146 V 6.46 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 0.90 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.