NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4911 8.2893 120.3272 55.9085 32.2544 174.0701 2 D 4.6488 8.2646 120.3363 52.4788 40.0722 175.3923 3 K 4.7390 8.0097 117.8056 55.1237 36.5207 176.6330 4 V 4.0813 8.0836 122.4606 61.6515 33.3457 174.3268 5 Y 4.5321 8.5254 126.4119 56.1098 38.0179 175.3429 6 L 4.1945 7.7766 124.8770 54.8112 42.5515 177.1123 7 T 4.4713 8.5007 112.7682 59.9747 71.3031 175.8171 8 W 4.2917 8.8659 121.7935 59.7819 29.0754 178.6093 9 W 4.7590 8.5674 128.0118 60.6477 30.1364 178.0283 10 Q 3.9268 8.4176 118.2785 58.8131 28.2020 178.7781 11 V 3.8118 8.1760 119.3614 66.2756 31.6719 177.6172 12 D 4.6568 9.1960 119.4556 57.8271 40.6791 179.2780 13 R 3.7412 7.8878 118.1111 58.7790 29.8404 178.8632 14 A 3.8513 8.3271 121.0126 55.2630 18.3508 179.6152 15 I 3.6680 8.3149 118.5864 64.6535 37.1072 178.4513 16 F 3.9594 8.4842 121.1246 61.0278 39.3495 176.9716 17 A 4.0352 8.3933 120.5889 55.2262 18.2720 179.4587 18 L 3.8645 8.1080 117.5055 58.0046 41.4009 179.5518 19 A 3.8499 8.1292 120.8639 55.3018 17.9605 179.3443 20 E 3.7165 7.3980 116.8955 59.0883 29.8036 178.8679 21 K 4.0613 7.4690 117.5988 59.0587 32.0802 179.0889 22 L 3.9225 7.6898 118.6264 56.9233 41.2958 179.4077 23 R 3.9293 7.3703 117.3233 58.8029 30.0047 178.3231 24 E 4.1294 7.7044 118.3000 59.3037 29.5131 178.1545 25 Y 4.3989 7.9102 118.4234 57.7566 40.4355 174.6995 26 K 3.6833 8.0420 118.5357 56.3071 29.3249 173.3530 27 P 4.2271 0.0000 0.0000 62.6650 32.5218 176.5085 28 D 4.7422 8.7915 122.2472 56.1498 41.8172 177.2972 29 V 4.7244 7.5297 115.5987 60.1623 35.4087 174.1654 30 I 4.7619 8.5603 122.2336 59.7321 40.6003 175.0482 31 I 4.8650 8.6452 126.0524 59.4208 39.8753 174.6578 32 G 3.9506 8.9440 115.9058 45.6442 0.0000 171.5260 33 V 4.2917 8.4496 125.6306 61.2428 32.0325 175.0818 34 A 4.1334 8.4333 130.2789 53.0035 18.7559 176.9324 35 R 4.2999 8.7677 117.7010 58.1084 31.8710 179.0478 36 G 4.1725 7.8560 105.5768 47.1813 0.0000 175.2028 37 G 3.9096 7.8750 107.4352 46.1086 0.0000 175.3964 38 L 3.9903 8.0172 122.2000 57.4687 41.6078 178.8945 39 I 3.6044 6.8413 119.8941 64.1900 36.9798 176.5926 40 P 4.2730 0.0000 0.0000 65.4107 31.1695 178.5739 41 A 3.9422 7.8151 119.2879 55.0734 18.2921 179.8225 42 V 3.4715 8.4706 117.2318 66.2112 31.6696 178.1187 43 R 3.9695 7.8623 117.6976 59.6740 29.9385 179.0891 44 L 4.0005 8.5982 118.6747 57.5942 41.4045 179.3976 45 S 4.0451 8.1940 113.4243 61.7801 61.8435 176.1508 46 H 4.6448 8.0444 119.8561 58.6552 28.6512 177.9217 47 I 3.7624 7.9215 121.5083 64.4143 37.0596 177.3379 48 L 4.4506 8.0873 118.9943 55.0969 41.7412 176.6410 49 G 3.4889 7.6124 102.5919 49.0639 0.0000 174.7357 50 D 4.4882 7.8942 114.3701 53.7595 39.3596 174.4182 51 I 4.3100 7.1991 111.9756 59.2967 39.8273 175.4882 52 P 4.1984 0.0000 0.0000 63.8913 31.7324 174.3319 53 L 5.1804 8.5115 125.5710 53.1767 44.2269 175.3640 54 K 4.6981 8.8533 124.2922 54.5905 35.9372 175.1042 55 V 4.7570 8.4214 123.7157 61.3118 33.4917 174.5818 56 I 5.4218 8.4105 126.4068 58.2786 42.0376 173.6496 57 D 4.9177 8.5091 126.2597 52.9328 44.1096 173.7317 58 V 4.7231 8.5289 125.9138 61.0654 33.6759 174.5703 59 K 4.8052 8.5517 127.1287 54.7117 35.8523 174.7133 60 F 5.0352 8.5866 121.8369 55.2358 42.6633 172.4287 61 Y 4.4634 8.9864 114.5905 59.2431 41.6299 178.5325 *68 G 4.0172 7.4832 112.5909 45.6819 0.0000 172.3127 69 E 5.3849 8.5669 120.9829 53.5777 29.7960 175.4830 70 K 4.5600 8.3845 125.3107 54.7981 33.8844 174.1803 71 P 3.6579 0.0000 0.0000 62.1446 32.5127 175.7079 72 V 4.1112 8.8326 125.7527 60.8803 33.5579 174.7840 73 I 4.4767 8.2760 129.7281 61.5092 35.6121 176.2753 74 T 4.0754 8.9038 125.1547 65.8378 69.4182 174.9825 75 I 4.4954 7.5262 122.0631 59.2545 40.4935 173.1401 76 P 4.8970 0.0000 0.0000 61.9500 32.8286 175.3230 77 I 4.6961 7.9197 111.8224 59.5074 40.3505 174.0456 78 H 4.8262 8.7249 117.4283 54.6274 32.8557 172.8367 79 G 4.1225 8.7050 107.8659 44.6322 0.0000 172.9448 80 D 4.8085 8.4171 119.6840 51.8899 40.9414 176.5979 81 L 4.6067 8.5833 125.1330 54.3837 41.0961 176.3185 82 K 5.0758 7.8595 119.5389 57.0426 32.7494 176.2255 83 D 4.6846 8.8981 124.2654 55.1587 38.5000 173.1318 84 K 4.8578 7.3758 117.7185 54.5606 35.7492 175.7602 85 R 4.3180 9.2111 124.9293 56.0158 30.9929 175.9102 86 V 4.9649 9.0428 125.2692 61.2737 34.5639 174.9138 87 V 5.0855 8.2565 124.5101 60.2251 34.5676 174.2293 88 I 4.7354 8.8242 126.7502 60.0093 39.1811 174.8493 89 V 5.4848 8.6470 126.0191 60.3800 34.4629 173.8576 90 D 5.1186 8.4867 125.7848 52.7466 45.3058 175.5571 91 D 4.4955 8.7954 119.8023 55.5912 40.2827 176.4667 92 V 4.6227 7.5332 117.7690 59.3072 34.7698 174.9789 93 S 4.0558 8.5996 119.4982 57.9135 61.9585 173.4694 94 D 4.4656 8.7161 126.8794 55.5809 41.5439 178.0160 95 T 4.1868 8.2419 110.0318 62.8503 70.3922 177.1554 96 G 4.2305 8.5317 108.7601 45.7931 0.0000 174.5451 97 K 3.7019 7.8692 120.7398 60.5155 31.9473 178.4332 98 T 4.2093 7.7734 114.6641 66.8461 68.6633 176.6918 99 L 4.0896 7.9978 120.0906 57.5489 41.6860 179.3767 100 E 4.0140 8.2615 119.0719 59.1289 29.4422 179.2118 101 V 3.5921 7.5445 117.1839 66.1668 31.7833 178.0795 102 V 3.6230 7.9441 117.8577 66.3251 31.4127 178.0471 103 I 3.7692 7.9166 119.3705 64.0411 36.8520 178.0325 104 E 3.9073 8.0189 120.0153 59.5391 29.3557 178.7702 105 E 3.9900 7.9859 116.9993 59.3974 29.6030 179.2378 106 V 3.8174 7.7908 117.9081 65.4363 31.6156 178.3192 107 K 4.0363 8.0365 118.3299 59.1545 31.7469 179.2321 108 K 4.3255 7.9461 117.3897 58.2304 32.0350 177.5799 109 L 4.5040 7.4704 118.8951 53.6353 42.3404 176.6446 110 G 3.9700 8.5501 106.7519 46.3565 0.0000 174.5606 111 A 5.1235 7.8584 120.3155 51.3397 19.1286 177.7211 112 K 4.1309 8.1657 124.8167 58.9401 32.2761 176.3081 113 E 4.8815 8.1195 119.8262 54.3366 33.5804 173.5238 114 I 5.1173 8.4662 125.4374 59.4645 40.2822 174.5967 115 K 4.5922 9.0156 127.8228 54.4866 35.7348 174.5396 116 I 5.0592 8.7374 125.6460 59.4732 40.6135 174.4734 117 A 5.3337 9.3792 127.7199 50.6388 22.0997 174.7948 118 C 5.8804 9.0659 119.2481 57.0112 32.6124 175.6243 119 L 4.1807 8.8272 120.0253 57.6354 42.6077 176.6389 120 A 5.9008 8.7917 118.8350 49.6700 22.8712 174.0119 121 M 4.8953 8.0202 113.7964 54.6919 34.4527 173.7530 122 K 4.2861 7.9356 118.2146 52.7467 35.1418 175.6873 123 P 3.9579 0.0000 0.0000 65.4946 31.2451 177.4163 124 W 4.5500 6.8705 111.1185 56.5903 28.6988 176.2574 125 T 4.4902 7.4811 114.2247 62.1640 67.1632 173.9608 126 S 4.3035 9.2475 121.7736 59.3239 63.7198 173.7589 127 V 4.2675 7.6600 120.4054 60.9275 32.6310 174.7118 128 V 3.8868 8.1870 127.9864 60.7032 31.8199 173.8768 129 P 4.3243 0.0000 0.0000 63.4500 31.6751 176.2374 130 D 4.3637 8.5181 120.6836 56.6316 41.6151 176.5500 131 Y 4.9058 7.6766 116.6596 56.9517 42.2722 173.5779 132 Y 5.9983 8.2639 121.1547 56.3087 41.2029 174.1007 133 V 3.8743 8.6075 116.3739 64.0483 33.6555 175.3898 134 F 5.1600 8.2588 118.7148 55.9571 41.4652 174.8589 135 R 5.0230 8.3109 120.8692 55.1824 32.8312 173.9006 136 T 4.3265 7.8708 117.5918 62.0323 71.3680 173.1077 137 E 4.3915 8.8725 121.6856 55.8055 31.0693 176.4169 138 K 4.5608 7.9374 119.0080 54.7624 34.2302 176.1147 139 W 4.3044 8.5533 131.8900 57.2945 31.7717 174.8565 140 I 3.9333 7.2670 128.4276 60.3727 37.6360 175.3710 141 V 3.9766 8.1913 128.5757 60.9997 32.7104 175.5308 142 F 3.8778 8.1498 127.0454 55.8691 39.3866 175.0931 143 P 3.9400 0.0000 0.0000 65.0545 30.8539 177.4669 144 W 4.9424 7.1566 112.0264 56.3673 28.6775 175.6099 145 E 4.6820 7.5711 118.7125 55.1057 30.7876 175.4885 146 E 4.2490 8.4659 120.8608 55.5133 31.1454 175.5312 147 F 5.3861 8.1243 117.8654 55.4310 41.4989 174.1722 148 P 4.6319 0.0000 0.0000 62.0975 32.2010 175.8978 149 V 4.3931 8.1239 120.4033 61.2433 33.4092 174.9191 150 I 4.3871 8.1679 126.0349 59.6824 38.6192 174.8765 151 E 4.7913 8.5008 124.0062 54.4817 32.8150 176.1651 152 K 4.1802 8.4487 117.8557 56.9895 32.3443 176.8041 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 1 M 8.29 4.49 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 D 8.26 4.65 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.01 4.74 0.00 1.37 1.43 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 4 V 8.08 4.08 1.76 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 0.65 0.00 0.00 0.79 0.00 0.00 5 Y 8.53 4.53 0.00 2.73 2.87 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 6 L 7.78 4.19 0.00 1.00 1.33 0.54 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.50 4.47 4.40 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 1.32 0.00 0.00 8 W 8.87 4.29 0.00 3.63 3.48 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 9 W 8.57 4.76 0.00 3.44 3.17 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 10 Q 8.42 3.93 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 11 V 8.18 3.81 2.50 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 12 D 9.20 4.66 0.00 3.36 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 13 R 7.89 3.74 0.00 1.62 1.66 0.00 2.63 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 14 A 8.33 3.85 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 15 I 8.31 3.67 2.17 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 1.50 0.92 0.99 0.00 0.00 16 F 8.48 3.96 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.39 4.04 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 18 L 8.11 3.86 0.00 1.79 1.63 0.94 0.96 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 19 A 8.13 3.85 1.16 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 20 E 7.40 3.72 0.00 1.61 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 21 K 7.47 4.06 0.00 1.87 1.38 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.55 7.81 22 L 7.69 3.92 0.00 1.69 1.64 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.37 3.93 0.00 1.87 1.94 0.00 3.08 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 24 E 7.70 4.13 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 25 Y 7.91 4.40 0.00 2.92 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 26 K 8.04 3.68 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.50 7.81 27 P 0.00 4.23 0.00 2.02 2.03 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 28 D 8.79 4.74 0.00 2.59 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 29 V 7.53 4.72 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 0.91 0.00 0.00 1.00 0.00 0.00 30 I 8.56 4.76 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.91 0.00 0.00 31 I 8.65 4.86 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.92 0.00 0.00 32 G 8.94 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 33 V 8.45 4.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 34 A 8.43 4.13 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 35 R 8.77 4.30 0.00 1.89 1.96 0.00 3.34 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 36 G 7.86 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 37 G 7.88 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 0.00 0.00 0.00 38 L 8.02 3.99 0.00 1.57 1.62 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 I 6.84 3.60 1.03 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.37 1.02 0.00 0.00 40 P 0.00 4.27 0.00 2.14 2.13 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 41 A 7.82 3.94 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 42 V 8.47 3.47 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 1.07 0.00 0.00 0.93 0.00 0.00 43 R 7.86 3.97 0.00 2.17 2.06 0.00 3.45 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 44 L 8.60 4.00 0.00 1.68 1.70 0.91 0.91 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 45 S 8.19 4.05 0.00 3.94 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 46 H 8.04 4.64 0.00 3.41 3.32 0.00 5.69 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 47 I 7.92 3.76 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 0.84 0.00 0.00 48 L 8.09 4.45 0.00 1.68 1.64 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.61 3.49 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 0.00 50 D 7.89 4.49 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.20 4.31 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.97 0.00 0.00 52 P 0.00 4.20 0.00 2.12 2.25 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 53 L 8.51 5.18 0.00 1.60 1.54 0.96 0.55 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 K 8.85 4.70 0.00 1.71 1.63 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.34 7.81 55 V 8.42 4.76 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 0.75 0.00 0.00 0.91 0.00 0.00 56 I 8.41 5.42 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 1.09 1.07 0.98 0.00 0.00 57 D 8.51 4.92 0.00 2.74 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 58 V 8.53 4.72 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 0.56 0.00 0.00 0.93 0.00 0.00 59 K 8.55 4.81 0.00 1.77 1.58 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.26 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.91 1.25 7.81 60 F 8.59 5.04 0.00 2.82 2.92 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 61 Y 8.99 4.46 0.00 3.06 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 *68 G 7.48 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 0.00 0.00 0.00 69 E 8.57 5.38 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 70 K 8.38 4.56 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.41 7.81 71 P 0.00 3.66 0.00 1.81 1.74 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 72 V 8.83 4.11 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 1.02 0.00 0.00 1.09 0.00 0.00 73 I 8.28 4.48 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.89 0.00 0.00 74 T 8.90 4.08 4.35 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 1.26 0.00 0.00 75 I 7.53 4.50 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.96 0.00 0.00 76 P 0.00 4.90 0.00 1.96 2.06 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 77 I 7.92 4.70 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.94 0.00 0.00 78 H 8.72 4.83 0.00 3.06 3.20 0.00 5.87 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 79 G 8.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.42 4.81 0.00 2.79 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 81 L 8.58 4.61 0.00 1.72 1.71 0.93 0.66 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 82 K 7.86 5.08 0.00 1.83 1.68 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 83 D 8.90 4.68 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.38 4.86 0.00 1.90 1.65 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.53 7.81 85 R 9.21 4.32 0.00 1.42 1.37 0.00 2.74 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 86 V 9.04 4.96 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 1.02 0.00 0.00 0.99 0.00 0.00 87 V 8.26 5.09 2.34 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 0.87 0.00 0.00 1.02 0.00 0.00 88 I 8.82 4.74 1.90 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 0.62 0.97 0.00 0.00 89 V 8.65 5.48 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 1.08 0.00 0.00 0.95 0.00 0.00 90 D 8.49 5.12 0.00 2.72 2.46 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 0.00 91 D 8.80 4.50 0.00 2.03 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 92 V 7.53 4.62 2.28 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 0.74 0.00 0.00 0.86 0.00 0.00 93 S 8.60 4.06 0.00 3.90 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.72 4.47 0.00 2.79 2.53 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 95 T 8.24 4.19 4.28 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 1.30 0.00 0.00 96 G 8.53 4.23 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 0.00 97 K 7.87 3.70 0.00 1.70 1.62 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.15 7.81 98 T 7.77 4.21 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 1.34 0.00 0.00 99 L 8.00 4.09 0.00 1.84 1.74 0.92 0.99 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 0.00 100 E 8.26 4.01 0.00 2.27 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 2.35 2.58 0.00 101 V 7.54 3.59 2.34 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 0.99 0.00 0.00 1.08 0.00 0.00 102 V 7.94 3.62 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 0.99 0.00 0.00 1.04 0.00 0.00 103 I 7.92 3.77 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.92 0.00 0.00 104 E 8.02 3.91 0.00 2.37 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 2.33 2.52 0.00 105 E 7.99 3.99 0.00 2.15 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 2.52 2.46 0.00 106 V 7.79 3.82 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 107 K 8.04 4.04 0.00 2.05 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 108 K 7.95 4.33 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.73 7.81 109 L 7.47 4.50 0.00 1.78 1.79 0.96 0.82 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 0.00 110 G 8.55 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 0.00 111 A 7.86 5.12 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 0.00 112 K 8.17 4.13 0.00 1.97 1.95 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.41 7.81 113 E 8.12 4.88 0.00 2.14 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 2.36 2.39 0.00 114 I 8.47 5.12 1.89 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 1.27 0.83 0.94 0.00 0.00 115 K 9.02 4.59 0.00 1.43 1.51 0.00 1.17 0.00 0.00 1.17 0.00 0.00 2.23 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.82 1.10 7.81 116 I 8.74 5.06 1.85 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 1.17 0.57 0.93 0.00 0.00 117 A 9.38 5.33 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 C 9.07 5.88 0.00 2.95 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 0.00 119 L 8.83 4.18 0.00 2.09 2.07 1.23 0.76 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 0.00 120 A 8.79 5.90 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 0.00 121 M 8.02 4.90 0.00 1.61 1.68 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.00 122 K 7.94 4.29 0.00 0.91 0.74 0.00 2.15 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 0.94 7.81 123 P 0.00 3.96 0.00 1.88 2.05 0.00 2.40 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 124 W 6.87 4.55 0.00 3.35 3.38 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 0.00 125 T 7.48 4.49 4.42 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 1.08 0.00 0.00 126 S 9.25 4.30 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.66 4.27 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 0.77 0.00 0.00 0.97 0.00 0.00 128 V 8.19 3.89 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 0.83 0.00 0.00 0.85 0.00 0.00 129 P 0.00 4.32 0.00 2.21 2.06 0.00 3.42 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 1.84 2.06 0.00 130 D 8.52 4.36 0.00 2.26 1.86 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 0.00 131 Y 7.68 4.91 0.00 2.91 2.72 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 0.00 132 Y 8.26 6.00 0.00 2.94 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 0.00 133 V 8.61 3.87 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.70 0.00 0.00 134 F 8.26 5.16 0.00 3.13 2.85 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 0.00 135 R 8.31 5.02 0.00 1.99 1.82 0.00 3.35 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 136 T 7.87 4.33 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 1.10 0.00 0.00 137 E 8.87 4.39 0.00 2.05 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 2.08 2.24 0.00 138 K 7.94 4.56 0.00 1.56 1.90 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.37 7.81 139 W 8.55 4.30 0.00 3.43 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 0.00 140 I 7.27 3.93 0.86 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.21 -0.25 0.00 0.00 141 V 8.19 3.98 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 1.13 0.00 0.00 0.39 0.00 0.00 142 F 8.15 3.88 0.00 1.51 1.45 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 0.00 143 P 0.00 3.94 0.00 0.49 0.72 0.00 2.75 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.70 0.00 144 W 7.16 4.94 0.00 3.61 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 0.00 145 E 7.57 4.68 0.00 2.04 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 2.37 1.72 0.00 146 E 8.47 4.25 0.00 1.99 1.91 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 2.30 2.36 0.00 147 F 8.12 5.39 0.00 3.07 2.85 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 0.00 148 P 0.00 4.63 0.00 2.06 1.99 0.00 3.73 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 2.01 2.12 0.00 149 V 8.12 4.39 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 0.85 0.00 0.00 0.99 0.00 0.00 150 I 8.17 4.39 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.90 0.00 0.00 151 E 8.50 4.79 0.00 1.91 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 2.20 2.29 0.00 152 K 8.45 4.18 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.