NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 H 4.5343 8.4444 120.3939 56.0588 30.8674 170.7857 46 I 4.4328 8.6726 119.4033 58.8511 39.5280 170.9678 47 V 4.3217 8.2415 131.0139 60.6934 33.3540 172.7687 48 P 5.2749 0.0000 0.0000 62.7895 31.8105 175.3506 49 C 5.2639 9.1357 120.9073 58.2701 32.8442 173.6434 50 T 4.6274 8.9100 110.7415 60.4673 70.3857 176.1053 51 I 3.7059 8.9250 124.5042 64.6501 36.9103 178.7572 52 S 4.1286 8.4152 115.3839 61.9071 62.3100 176.8248 53 Q 3.9849 7.8529 120.5159 58.5159 28.7901 178.2315 54 L 4.1041 7.8443 119.8117 57.8442 41.4634 179.5841 55 L 4.0856 7.9200 118.0039 57.4519 41.6081 179.0530 56 S 4.3367 7.5879 112.2138 58.8226 63.7312 174.4098 57 A 4.5191 7.2951 125.4988 52.4077 18.8612 177.1624 58 T 4.4757 8.8894 112.1411 60.5074 71.3667 173.7926 59 L 4.7647 8.5122 125.6022 53.4495 43.8608 175.8929 60 V 4.0784 8.2712 126.9398 61.7088 33.6769 174.8261 61 D 4.3632 9.2863 128.8545 55.8140 37.4573 173.8349 62 E 3.6694 8.0461 112.4103 56.6648 27.9164 174.7076 63 V 4.3643 7.1214 117.8286 61.0719 34.6320 174.4471 64 F 5.2983 8.7561 126.2661 56.8737 40.8779 174.9419 65 R 5.6172 9.1743 120.8265 53.6633 34.8328 174.5567 66 I 4.4821 8.7999 123.5888 61.5255 38.5783 176.3668 67 G 4.0586 9.4038 119.2329 44.6932 0.0000 172.0371 68 N 4.8717 9.0936 117.3379 52.3886 40.1415 173.6185 69 V 4.1413 7.2847 119.6924 60.8500 31.9968 175.1939 70 E 4.5489 8.8599 127.7152 56.8944 29.8413 176.4493 71 I 4.6728 8.5622 116.6747 59.7169 40.2944 174.0432 72 S 4.6041 8.7638 117.8852 59.8765 65.2909 172.7001 73 Q 4.7940 8.0712 120.5913 55.5628 30.3172 174.3827 74 V 5.1427 9.0417 119.0148 60.1534 37.2251 173.8888 75 T 5.8432 8.9130 111.6964 59.1150 71.8422 173.0318 76 I 5.1870 8.1354 115.7527 59.2457 41.8475 173.8452 77 V 4.8107 7.9446 121.7649 61.4315 34.2823 174.5260 78 G 4.0767 8.7472 113.2200 46.0697 0.0000 171.2205 79 I 4.2822 7.7720 120.1734 58.7952 40.1942 174.7717 80 I 4.2238 8.2393 130.3416 61.6600 37.2971 176.7224 81 R 4.3382 8.9698 126.5247 57.3331 31.4365 176.1080 82 H 4.7800 7.8042 115.9738 55.1777 33.3749 172.4694 83 A 4.7015 8.1588 125.1003 50.3528 21.9096 175.1237 84 E 4.2801 8.7177 124.7981 54.5710 31.3893 174.5598 85 K 4.5048 8.3976 128.5107 55.3568 33.1722 175.5021 86 A 4.7921 8.5025 128.6144 49.3241 22.4766 175.1633 87 P 4.1295 0.0000 0.0000 65.6054 31.4731 178.1650 88 T 4.4973 7.7873 106.4027 62.1513 70.1150 173.2691 89 N 5.0392 7.4157 118.4588 51.9114 41.1768 173.2329 90 I 4.6289 8.3486 120.4683 59.3498 40.6158 174.8535 91 V 4.5244 7.9418 126.4823 61.5469 33.1231 173.9959 92 Y 5.0701 8.8261 126.5067 56.6630 40.4790 175.0135 93 K 4.7381 8.8853 122.8560 55.2727 33.9320 175.4815 94 I 4.8780 8.3352 125.9922 59.3225 40.3881 174.0156 95 D 5.0074 8.9619 126.7171 52.9016 43.0557 174.5441 96 D 4.6116 8.9970 123.9982 55.0785 41.2737 177.6288 *98 T 4.2575 7.6694 108.9174 60.4366 70.7352 172.7120 99 A 4.3243 7.3508 121.4556 51.6444 21.7933 175.2806 100 A 4.2206 8.4895 119.0827 51.7356 19.3389 178.4799 101 P 5.0517 0.0000 0.0000 61.7368 31.6854 175.2212 *103 D 4.6564 8.4596 118.4211 55.2436 42.8080 174.9580 104 V 4.7142 8.8450 122.4913 61.2197 34.7520 173.8966 105 R 4.7657 9.1385 129.6322 54.9518 31.8323 174.5194 106 Q 4.9494 8.8506 127.7993 54.0256 31.8880 174.0738 107 W 4.6848 8.9352 126.4070 56.4770 30.1611 176.2026 108 V 4.3636 8.7976 126.9118 61.8495 33.3201 175.1064 *118 T 4.2847 8.5546 112.7445 61.4376 68.8231 175.1841 119 V 3.8259 7.6330 120.7706 61.9291 31.9902 175.9793 120 V 3.7568 8.8001 125.0640 61.8396 31.8503 174.1028 121 P 4.4152 0.0000 0.0000 61.6864 31.9071 174.3647 122 P 4.5537 0.0000 0.0000 64.2480 31.7619 176.0640 123 E 3.7603 9.2451 118.6966 57.2496 27.4251 174.1796 124 T 4.6151 7.0609 115.7488 61.9574 71.0666 173.5299 125 Y 4.4486 8.5122 123.8419 57.9198 39.3881 175.0067 126 V 4.8008 8.8804 116.4841 59.4586 36.8401 174.1445 127 K 4.9177 8.4643 123.4142 54.8905 34.5831 174.9079 128 V 4.5179 8.8814 126.7861 60.9426 34.4030 173.7521 129 A 4.8661 8.1991 129.7291 50.3886 21.4345 175.8881 130 G 4.4265 8.0334 108.2285 46.3684 0.0000 171.3522 131 H 5.5959 8.7188 116.3637 53.6427 32.0042 173.7671 132 L 4.5575 8.4138 124.9436 55.2691 42.7196 176.1290 133 R 5.1316 8.9414 123.3773 55.0326 35.1380 173.7786 134 S 5.3282 8.7778 113.6720 57.3696 66.1683 173.2971 135 F 4.7253 9.1737 126.6037 58.3020 42.1777 174.3574 136 Q 2.9939 8.8588 127.8567 57.1941 25.9965 173.9302 137 N 4.2076 8.3246 110.1393 53.6645 36.6701 174.0041 138 K 4.4627 7.7597 120.9153 54.5251 33.0419 175.7404 139 K 4.8950 8.5293 126.2545 56.7700 33.2407 176.1528 140 S 4.6834 8.8643 116.6352 57.9100 67.1260 172.6872 141 L 5.1962 8.8751 119.5440 52.9540 44.9222 176.1738 142 V 4.8508 8.5212 121.8746 61.2871 33.4501 174.2593 143 A 4.9254 9.1216 131.4182 51.1996 19.2276 176.8846 144 F 4.8308 8.5942 117.0498 57.5220 39.4826 176.3342 145 K 4.6797 7.2936 118.8737 54.7747 36.0419 175.5912 146 I 5.0672 8.1145 123.3102 57.6613 40.9376 172.9434 *148 P 4.2856 0.0000 0.0000 62.3296 32.2398 176.6135 149 L 4.2696 8.3693 122.8920 54.3892 42.2814 176.8923 150 E 4.0670 8.8879 124.6745 58.0606 30.3750 175.0817 151 D 4.9438 7.5774 117.5144 52.4483 43.9651 175.1830 *153 N 4.7279 8.4322 113.7677 53.2811 40.6287 176.3414 154 E 3.9769 8.2818 118.6889 58.6347 29.3175 178.5440 155 F 4.1754 8.1066 119.9448 61.5057 39.7364 176.6604 156 T 3.3777 7.6690 114.7388 66.8435 68.2127 176.3257 157 T 3.7964 7.8973 117.5754 67.0658 68.4758 175.9284 158 H 4.2190 8.1890 119.8862 59.2138 29.8219 177.1638 159 I 3.5541 7.2716 121.6610 64.5752 36.9140 178.4178 160 L 3.9660 7.6887 119.0239 57.7489 41.4272 179.2899 161 E 3.9100 8.4405 118.9915 59.1218 29.3463 179.4011 162 V 3.5596 8.1082 118.6620 66.1662 31.3638 178.2189 163 I 3.6735 7.3778 117.8947 64.3312 37.0270 177.6657 164 N 4.4054 8.1167 116.5362 56.6512 39.1301 176.3529 165 A 4.1472 8.3271 122.5423 55.1956 18.5991 178.1284 166 H 4.5071 8.1688 114.3884 56.3899 29.2979 178.0521 *168 V 3.9958 7.7636 121.5422 63.0188 32.8674 177.2586 169 L 4.1375 7.9071 119.5220 57.3214 41.6487 179.4695 170 S 4.2241 7.8719 112.7697 60.6276 63.1054 175.5806 171 K 4.1051 7.6016 118.7532 58.0058 32.3746 176.6531 172 A 4.2175 7.5534 125.2430 52.2657 18.5286 176.8369 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 45 H 8.44 4.53 0.00 3.16 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.67 4.43 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 1.06 0.00 0.00 47 V 8.24 4.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 48 P 0.00 5.27 0.00 2.03 2.06 0.00 3.35 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 49 C 9.14 5.26 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.91 4.63 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 1.19 0.00 0.00 51 I 8.93 3.71 2.03 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 1.57 0.70 0.91 0.00 0.00 52 S 8.42 4.13 0.00 4.02 4.32 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 53 Q 7.85 3.98 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 54 L 7.84 4.10 0.00 1.86 1.65 0.89 0.41 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 55 L 7.92 4.09 0.00 1.77 1.75 0.93 0.79 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 56 S 7.59 4.34 0.00 4.00 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 57 A 7.30 4.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.89 4.48 4.27 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 1.25 0.00 0.00 59 L 8.51 4.76 0.00 1.52 1.56 0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.27 4.08 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 0.93 0.00 0.00 0.92 0.00 0.00 61 D 9.29 4.36 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 62 E 8.05 3.67 0.00 2.08 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 2.17 2.20 0.00 63 V 7.12 4.36 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 1.00 0.00 0.00 0.96 0.00 0.00 64 F 8.76 5.30 0.00 3.35 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 65 R 9.17 5.62 0.00 1.74 1.80 0.00 3.11 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 66 I 8.80 4.48 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.96 0.00 0.00 67 G 9.40 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 9.09 4.87 0.00 2.67 2.80 0.00 0.00 6.65 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 69 V 7.28 4.14 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 0.99 0.00 0.00 0.97 0.00 0.00 70 E 8.86 4.55 0.00 2.03 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 2.36 2.34 0.00 71 I 8.56 4.67 1.91 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 1.20 0.77 0.95 0.00 0.00 72 S 8.76 4.60 0.00 3.99 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 73 Q 8.07 4.79 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.51 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 74 V 9.04 5.14 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 0.78 0.00 0.00 0.91 0.00 0.00 75 T 8.91 5.84 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 1.20 0.00 0.00 76 I 8.14 5.19 1.87 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 1.19 0.99 0.94 0.00 0.00 77 V 7.94 4.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.75 0.00 0.00 78 G 8.75 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 79 I 7.77 4.28 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.22 0.68 0.00 0.00 80 I 8.24 4.22 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.49 1.05 0.00 0.00 81 R 8.97 4.34 0.00 1.63 1.96 0.00 3.32 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 82 H 7.80 4.78 0.00 3.11 3.09 0.00 5.61 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 83 A 8.16 4.70 1.07 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 0.00 0.00 84 E 8.72 4.28 0.00 2.01 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 2.16 0.00 85 K 8.40 4.50 0.00 1.65 1.59 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.43 7.81 86 A 8.50 4.79 1.15 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 0.00 0.00 87 P 0.00 4.13 0.00 2.07 2.14 0.00 3.65 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 2.03 2.07 0.00 88 T 7.79 4.50 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 89 N 7.42 5.04 0.00 2.04 1.50 0.00 0.00 6.59 7.71 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 90 I 8.35 4.63 1.46 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 -0.01 0.00 0.00 91 V 7.94 4.52 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 0.90 0.00 0.00 0.75 0.00 0.00 92 Y 8.83 5.07 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 93 K 8.89 4.74 0.00 1.75 1.75 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.47 7.81 94 I 8.34 4.88 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.82 0.00 0.00 95 D 8.96 5.01 0.00 2.70 2.39 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 0.00 0.00 0.00 0.00 96 D 9.00 4.61 0.00 2.95 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 *98 T 7.67 4.26 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 1.33 0.00 0.00 99 A 7.35 4.32 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 0.00 100 A 8.49 4.22 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 0.00 101 P 0.00 5.05 0.00 2.05 2.06 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 *103 D 8.46 4.66 0.00 2.64 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 0.00 104 V 8.85 4.71 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 1.05 0.00 0.00 0.93 0.00 0.00 105 R 9.14 4.77 0.00 1.78 1.71 0.00 2.96 0.00 0.00 2.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.11 0.00 106 Q 8.85 4.95 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 107 W 8.94 4.68 0.00 3.30 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 0.00 108 V 8.80 4.36 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 0.80 0.00 0.00 0.93 0.00 0.00 *118 T 8.55 4.28 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 V 7.63 3.83 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 0.75 0.00 0.00 0.95 0.00 0.00 120 V 8.80 3.76 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 0.68 0.00 0.00 0.86 0.00 0.00 121 P 0.00 4.42 0.00 2.21 1.95 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 122 P 0.00 4.55 0.00 2.03 1.99 0.00 3.75 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 2.03 2.12 0.00 123 E 9.25 3.76 0.00 2.07 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 2.19 2.39 0.00 124 T 7.06 4.62 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 1.18 0.00 0.00 125 Y 8.51 4.45 0.00 2.90 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 0.00 126 V 8.88 4.80 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 0.55 0.00 0.00 0.80 0.00 0.00 127 K 8.46 4.92 0.00 1.81 1.61 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.34 7.81 128 V 8.88 4.52 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 0.80 0.00 0.00 0.82 0.00 0.00 129 A 8.20 4.87 0.63 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 0.00 0.00 130 G 8.03 4.43 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 0.00 131 H 8.72 5.60 0.00 3.25 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.41 4.56 0.00 1.46 1.23 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.94 5.13 0.00 1.81 1.89 0.00 3.44 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 1.82 1.82 0.00 134 S 8.78 5.33 0.00 4.23 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 0.00 135 F 9.17 4.73 0.00 3.16 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 0.00 136 Q 8.86 2.99 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.24 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 137 N 8.32 4.21 0.00 2.83 2.94 0.00 0.00 7.00 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 0.00 138 K 7.76 4.46 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 139 K 8.53 4.90 0.00 1.70 1.69 0.00 1.86 0.00 0.00 1.90 0.00 0.00 3.29 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.52 7.81 140 S 8.86 4.68 0.00 4.06 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 0.00 141 L 8.88 5.20 0.00 1.58 1.58 0.89 1.16 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 0.00 142 V 8.52 4.85 2.25 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 1.31 0.00 0.00 1.09 0.00 0.00 143 A 9.12 4.93 1.24 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 0.00 0.00 144 F 8.59 4.83 0.00 3.09 3.24 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 0.00 145 K 7.29 4.68 0.00 1.39 1.60 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.61 7.81 146 I 8.11 5.07 1.82 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 1.35 1.03 0.61 0.00 0.00 *148 P 0.00 4.29 0.00 2.05 1.99 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 149 L 8.37 4.27 0.00 1.67 1.62 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.89 4.07 0.00 1.93 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 2.28 2.29 0.00 151 D 7.58 4.94 0.00 2.77 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 *153 N 8.43 4.73 0.00 3.09 2.89 0.00 0.00 6.50 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 0.00 154 E 8.28 3.98 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 155 F 8.11 4.18 0.00 2.88 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 0.00 156 T 7.67 3.38 4.27 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 1.08 0.00 0.00 157 T 7.90 3.80 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 158 H 8.19 4.22 0.00 3.35 3.45 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.27 3.55 1.85 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 1.37 0.26 0.81 0.00 0.00 160 L 7.69 3.97 0.00 1.76 1.66 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.44 3.91 0.00 2.04 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 2.30 2.45 0.00 162 V 8.11 3.56 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 1.00 0.00 0.00 0.81 0.00 0.00 163 I 7.38 3.67 1.84 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 1.37 0.74 0.89 0.00 0.00 164 N 8.12 4.41 0.00 2.76 2.82 0.00 0.00 7.25 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 0.00 165 A 8.33 4.15 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 0.00 166 H 8.17 4.51 0.00 3.28 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *168 V 7.76 4.00 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 0.99 0.00 0.00 0.94 0.00 0.00 169 L 7.91 4.14 0.00 1.73 1.68 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 170 S 7.87 4.22 0.00 4.02 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 0.00 171 K 7.60 4.11 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.38 7.81 172 A 7.55 4.22 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.