NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5040 0.0000 0.0000 61.9447 33.4325 175.2150 3 E 4.3201 8.9073 125.5612 56.1111 30.1350 174.6875 4 I 4.1879 9.5394 129.9443 61.2045 38.8145 175.1693 5 R 4.4909 8.6029 125.1452 55.2600 31.9140 175.0605 6 L 4.8867 8.3841 123.4000 53.5299 42.9209 176.2601 7 R 4.2377 9.4699 126.6675 58.7909 30.3612 175.8337 8 H 4.8230 7.7140 111.5459 54.5321 32.4890 171.3548 9 V 4.2025 8.1321 118.9262 62.1167 31.2872 175.7315 10 V 3.9718 8.8973 129.7318 65.7191 32.1301 175.9076 11 S 4.6727 7.6540 112.3493 57.7830 66.3630 173.1895 12 C 4.9587 8.1604 120.3929 58.3582 33.5271 174.0183 13 S 4.3617 9.5499 122.3882 61.1917 63.4519 174.7732 14 S 4.5861 8.0081 110.5124 57.5990 64.8447 174.4088 15 Q 5.5771 8.4009 123.1578 55.4700 31.1042 173.4462 16 D 4.7372 8.4601 119.0738 53.1929 42.4324 176.6099 17 S 4.2980 8.5813 117.5144 60.9230 63.5381 175.4691 18 T 4.2023 8.0913 109.5947 63.7486 69.8345 175.5672 19 H 4.9635 8.1091 122.1048 53.0728 27.4037 174.1534 20 C 5.0550 7.6854 117.7205 56.1835 32.3058 175.4425 21 A 3.5256 9.8431 125.9291 56.0787 17.6409 180.5219 22 E 3.9023 8.2199 115.9442 61.2723 29.4306 181.1313 23 N 4.7543 8.1408 113.8148 55.6170 38.6614 176.3174 24 L 4.4662 7.8411 119.1472 55.4648 42.1974 177.6975 25 L 4.1281 7.7777 121.1335 57.3343 41.7885 178.3783 26 K 4.6003 7.7630 119.0564 52.3762 35.3402 179.9991 27 A 4.2666 8.6030 126.4786 53.6801 18.7655 178.9624 28 D 4.1441 8.0534 115.1382 57.7334 40.1188 178.3414 29 T 3.6516 7.3531 114.2829 64.6759 68.5455 175.2725 30 Y 3.9357 7.1016 118.0350 59.4377 35.9155 169.9836 31 R 4.7685 7.3206 117.6751 54.5616 31.6449 178.9332 32 K 5.0313 8.4321 119.1542 54.3668 35.7944 174.6607 33 W 5.2395 8.8562 132.0399 55.9956 32.9756 174.9385 34 R 4.5619 8.9657 124.5964 53.7799 33.1265 174.5728 35 A 4.1606 7.8165 122.5593 51.7319 18.9668 178.9599 36 A 4.3095 8.8615 124.0134 54.6170 18.7476 178.4705 37 K 4.6266 7.1995 112.1229 54.2975 36.2816 176.1638 38 A 4.2136 8.3169 123.9708 53.4977 18.8665 178.3437 39 G 3.9277 8.9696 108.7160 45.2281 0.0000 173.3837 40 E 4.2791 7.8895 119.5584 55.4994 29.8002 176.6685 41 K 4.3025 8.8283 124.7977 59.4210 33.1600 177.0109 42 T 5.5640 7.8000 107.3129 60.4967 71.9992 173.0816 43 I 4.8554 8.9411 115.2680 60.1355 41.7611 173.4735 44 S 5.3464 9.3865 116.2840 57.5381 66.2430 173.2317 45 V 4.6565 8.4407 117.3536 59.6214 36.3469 174.1431 46 V 4.5466 8.4525 124.3121 61.1739 33.6953 174.1972 47 L 4.9345 8.9654 128.1947 53.0517 44.3537 175.1285 48 Q 4.8482 8.8153 125.1369 54.7810 30.3328 175.1537 49 L 4.5943 8.6673 127.2043 54.6116 42.1098 177.2449 50 E 4.3061 8.8024 121.6737 58.9257 29.8733 177.2485 51 K 4.7446 7.7247 115.6548 54.5793 36.3624 175.8241 52 E 4.4108 8.6884 122.1221 56.5802 30.1844 175.5701 53 E 4.8084 9.6661 125.2970 55.0912 35.2049 173.5968 54 Q 4.9007 8.6391 122.6672 55.2870 30.9079 174.1968 55 I 4.7331 8.5585 127.3444 60.9629 37.7612 174.8108 56 H 4.7191 9.8284 128.0233 58.0703 31.1048 174.9208 57 S 5.0198 7.9640 110.4114 57.1366 66.4151 173.1497 58 V 4.8030 9.0326 123.5054 61.6306 34.7044 173.3906 59 D 5.4569 9.2206 128.5662 52.8867 43.2850 175.5608 60 I 4.4224 8.8949 123.4494 59.3311 40.8673 174.5860 61 G 3.5117 7.6034 114.7977 44.0823 0.0000 172.8991 62 N 4.6721 8.8160 125.7159 52.8596 40.8404 174.1382 63 D 4.7413 8.0449 115.6342 53.3507 41.1290 176.3028 64 G 4.0794 8.8374 107.4783 45.3862 0.0000 173.1364 65 S 4.1116 7.6736 114.8478 58.1640 63.8834 173.7656 66 A 4.3523 8.8457 124.6750 53.1872 20.5412 177.3396 67 F 5.5756 7.8877 112.1020 55.8940 43.7467 174.4949 68 V 4.9130 9.2910 121.0342 61.2617 35.1185 173.7068 69 E 5.0770 9.6456 127.9914 54.3134 33.2887 174.3231 70 V 4.8882 8.4980 125.3389 61.1682 34.4380 174.3032 71 L 5.2048 9.1735 127.3710 53.1475 45.4025 175.7578 72 V 4.5624 8.5534 113.8917 59.8749 35.5011 175.3917 73 G 3.8877 8.5555 109.4570 45.4391 0.0000 171.0146 74 S 6.1001 8.5836 113.2443 55.4968 64.8591 174.7448 75 S 4.2823 9.2913 118.9177 59.7219 63.6085 174.3546 76 A 4.0381 7.8022 125.5858 52.9605 18.4696 177.2812 77 G 3.7137 9.2548 110.9911 46.3148 0.0000 175.2964 78 G 3.7948 8.4386 109.8714 44.4118 0.0000 173.4915 79 A 4.3461 8.2491 121.5762 50.9295 19.7825 176.4191 80 G 4.0577 8.8291 112.5119 44.4927 0.0000 173.9445 81 E 3.9412 8.7626 117.6374 59.9573 29.3843 179.6606 82 Q 4.2254 8.0635 113.2787 56.4666 28.3627 176.2051 83 D 4.6087 7.7398 119.5160 55.2390 42.3503 176.2976 84 Y 4.2727 7.2725 117.6866 57.4160 38.5069 175.4169 85 E 4.2700 8.7990 125.9049 55.5065 31.5234 175.3064 86 V 3.9769 8.1822 125.2153 62.8291 32.0484 174.7791 87 L 4.3397 8.6431 129.4566 56.3993 44.0572 175.3135 88 L 4.9801 7.9374 124.2326 52.6834 43.7060 175.9836 89 V 3.9939 8.4387 126.2698 61.7078 32.3393 175.7039 90 T 4.0447 8.3659 118.1295 64.5942 68.7462 173.2189 91 S 4.9949 9.3087 122.9759 56.6384 66.0782 173.7128 92 S 4.9536 8.7794 118.2590 58.2932 62.7740 173.5745 93 F 4.7065 8.9161 122.0867 57.0899 41.1614 174.8039 94 M 4.6487 7.6649 116.2069 53.2786 35.0561 174.7069 95 S 4.3378 8.7903 121.5153 56.7013 65.8643 173.7635 96 P 3.4263 0.0000 0.0000 65.5127 30.9331 179.1543 97 S 4.0461 7.7287 113.2959 61.6430 62.8024 176.5235 98 E 3.9350 8.0165 121.1717 59.4758 28.9792 179.4702 99 S 4.1058 8.2289 114.3677 61.8257 62.9865 176.8067 100 R 4.0899 8.2712 120.2189 58.7828 29.9390 178.5097 101 S 4.5395 8.1448 111.8365 58.1445 63.6197 175.1336 102 G 3.8593 8.4563 110.7066 45.9946 0.0000 173.3637 103 S 4.3034 7.9288 114.9145 58.8024 64.1940 174.1109 104 N 4.1577 8.5764 120.8385 54.2014 35.6261 172.6904 105 P 4.5299 0.0000 0.0000 63.4637 33.1879 178.8790 106 N 5.0812 7.9025 115.2361 51.8356 39.9978 174.6308 107 R 4.0388 8.1185 120.9237 57.2484 30.9901 175.2305 108 V 5.0729 8.4975 125.7173 60.1910 33.6136 175.3371 109 R 4.4707 9.2140 123.0292 54.4514 33.7742 173.7933 110 M 4.7700 8.2527 122.9085 53.9678 34.3756 175.2774 111 F 4.6718 9.2084 124.1409 55.6956 42.3091 175.3579 112 G 4.3691 8.4770 114.0294 43.8442 0.0000 170.9574 113 P 4.3106 0.0000 0.0000 65.3168 31.3253 178.5454 114 D 4.1589 8.0656 116.2640 55.0333 39.7682 176.9958 115 K 4.4119 7.9855 117.5896 56.4209 32.8801 176.4577 116 L 4.6479 7.0910 118.7277 53.1605 43.1482 176.7236 117 V 3.8654 8.5708 115.5423 61.5350 31.9592 177.9434 118 R 4.1151 8.6546 123.1439 57.9611 29.9393 178.8899 119 A 4.0510 7.9834 119.9454 55.2227 18.8983 179.0351 120 A 4.4305 8.0597 118.6336 55.3018 18.4341 179.3309 121 A 4.2811 8.2509 117.8028 54.4207 18.4812 178.8732 122 E 4.1360 7.9465 117.6906 57.7541 29.9766 176.5408 123 K 4.3164 7.5976 117.1924 55.2933 34.1373 176.1118 124 R 4.7397 7.6612 119.2840 54.6337 32.2175 175.9317 125 W 5.4050 9.2367 121.7861 55.3007 34.3984 174.9767 126 D 5.0200 8.9209 116.4077 52.9548 41.2608 174.8934 127 R 5.2217 8.4173 118.3985 54.7155 34.4795 174.8547 128 V 4.5947 8.5750 121.4273 61.3309 35.1139 173.5026 129 K 4.7388 9.2624 130.1470 54.7030 34.3894 174.6314 130 I 4.9058 8.5965 128.7012 59.5890 39.8834 174.5495 131 V 4.8922 9.0450 127.8804 61.3253 33.7712 173.9851 132 C 5.4609 9.1844 125.3947 58.1733 31.2446 173.1681 133 S 5.0906 9.0694 118.4253 57.1301 66.5478 173.4150 134 Q 4.4615 8.4434 124.3091 54.4407 28.7918 172.3254 135 P 4.2760 0.0000 0.0000 63.5936 32.3100 177.4424 136 Y 4.5661 7.5610 115.5419 58.6847 38.4824 175.6088 137 S 4.5447 7.7477 113.8170 57.2053 65.2745 173.3910 138 K 4.5868 8.5875 125.5235 56.3948 32.4055 176.9278 139 D 4.5528 7.8176 121.5568 56.6438 40.9856 176.7121 140 S 4.7615 7.5998 112.4031 55.7524 67.0066 171.9302 141 P 4.4210 0.0000 0.0000 62.7524 31.8553 175.7403 142 F 5.0711 7.5465 114.7415 55.1320 41.9058 173.9908 143 G 3.5982 7.4300 110.0807 46.2154 0.0000 172.9320 144 L 4.7677 7.6943 123.2703 53.1115 45.1383 177.5807 145 S 4.4540 9.4323 117.8343 60.8660 63.2993 173.5906 146 F 5.1341 7.4389 112.4707 56.3503 41.2162 173.0721 147 V 4.8426 8.3963 117.5747 60.5042 34.1719 174.0926 148 R 4.6118 8.9823 123.1968 54.4164 33.4592 174.3885 149 F 5.3333 8.7778 122.1806 56.2177 41.9537 174.4578 150 H 5.5479 8.9725 118.3784 54.1236 32.6567 173.4939 151 S 5.5683 9.1446 117.6073 56.1654 64.5436 172.1835 152 P 4.2973 0.0000 0.0000 62.1614 31.9496 175.0797 153 P 4.3929 0.0000 0.0000 62.9034 31.3853 176.3772 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 2 P 0.00 4.50 0.00 2.13 2.07 0.00 3.87 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 2.03 2.11 0.00 3 E 8.91 4.32 0.00 2.12 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 2.43 2.38 0.00 4 I 9.54 4.19 2.02 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 0.83 1.01 0.00 0.00 5 R 8.60 4.49 0.00 1.87 1.86 0.00 3.11 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 6 L 8.38 4.89 0.00 1.66 1.59 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.47 4.24 0.00 1.81 2.14 0.00 3.30 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 8 H 7.71 4.82 0.00 3.17 3.33 0.00 5.50 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.20 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 0.60 0.00 0.00 0.83 0.00 0.00 10 V 8.90 3.97 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 0.82 0.00 0.00 0.81 0.00 0.00 11 S 7.65 4.67 0.00 3.85 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 12 C 8.16 4.96 0.00 2.75 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 13 S 9.55 4.36 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.01 4.59 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.40 5.58 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 16 D 8.46 4.74 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.58 4.30 0.00 4.01 3.98 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 0.00 0.00 0.00 18 T 8.09 4.20 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 H 8.11 4.96 0.00 3.27 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.69 5.05 0.00 3.32 3.29 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 21 A 9.84 3.53 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.22 3.90 0.00 1.98 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 2.32 1.99 0.00 23 N 8.14 4.75 0.00 3.03 3.08 0.00 0.00 6.98 7.15 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 24 L 7.84 4.47 0.00 1.65 1.77 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.78 4.13 0.00 1.63 1.74 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.76 4.60 0.00 1.62 1.61 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.97 7.81 27 A 8.60 4.27 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 28 D 8.05 4.14 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.35 3.65 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 1.18 0.00 0.00 30 Y 7.10 3.94 0.00 3.34 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.32 4.77 0.00 1.99 1.69 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 32 K 8.43 5.03 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.50 7.81 33 W 8.86 5.24 0.00 3.36 3.10 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 34 R 8.97 4.56 0.00 1.65 1.52 0.00 3.02 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.00 35 A 7.82 4.16 0.81 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 0.00 0.00 36 A 8.86 4.31 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 37 K 7.20 4.63 0.00 1.76 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 A 8.32 4.21 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 39 G 8.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.89 4.28 0.00 1.99 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 2.32 2.31 0.00 41 K 8.83 4.30 0.00 1.72 1.84 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 T 7.80 5.56 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 1.22 0.00 0.00 43 I 8.94 4.86 1.89 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.41 0.66 0.00 0.00 44 S 9.39 5.35 0.00 3.91 3.69 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 45 V 8.44 4.66 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 -0.78 0.00 0.00 0.26 0.00 0.00 46 V 8.45 4.55 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 0.98 0.00 0.00 0.67 0.00 0.00 47 L 8.97 4.93 0.00 1.45 1.45 0.95 0.46 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 48 Q 8.82 4.85 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 49 L 8.67 4.59 0.00 1.66 1.57 0.96 0.69 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 50 E 8.80 4.31 0.00 1.88 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 2.36 2.27 0.00 51 K 7.72 4.74 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.42 7.81 52 E 8.69 4.41 0.00 1.99 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 2.37 2.33 0.00 53 E 9.67 4.81 0.00 1.92 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 2.25 2.49 0.00 54 Q 8.64 4.90 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 55 I 8.56 4.73 2.04 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 1.36 0.84 1.21 0.00 0.00 56 H 9.83 4.72 0.00 3.20 3.57 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.96 5.02 0.00 4.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.03 4.80 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 0.87 0.00 0.00 1.16 0.00 0.00 59 D 9.22 5.46 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.89 4.42 2.28 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 1.39 1.68 0.54 0.00 0.00 61 G 7.60 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.67 0.00 2.94 2.90 0.00 0.00 6.26 7.82 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 63 D 8.04 4.74 0.00 2.82 2.45 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 64 G 8.84 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 65 S 7.67 4.11 0.00 3.98 3.87 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 66 A 8.85 4.35 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.89 5.58 0.00 2.94 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 68 V 9.29 4.91 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 0.94 0.00 0.00 0.47 0.00 0.00 69 E 9.65 5.08 0.00 1.98 1.71 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 2.14 2.33 0.00 70 V 8.50 4.89 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 1.13 0.00 0.00 1.00 0.00 0.00 71 L 9.17 5.20 0.00 1.47 1.65 0.90 0.65 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 72 V 8.55 4.56 0.67 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 0.39 0.00 0.00 -0.15 0.00 0.00 73 G 8.56 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 74 S 8.58 6.10 0.00 3.95 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.29 4.28 0.00 4.03 4.13 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 76 A 7.80 4.04 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 77 G 9.25 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.44 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.25 4.35 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 80 G 8.83 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 81 E 8.76 3.94 0.00 2.04 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 2.44 2.31 0.00 82 Q 8.06 4.23 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.74 4.61 0.00 2.65 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 0.00 0.00 0.00 0.00 84 Y 7.27 4.27 0.00 3.03 2.78 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 0.00 0.00 0.00 85 E 8.80 4.27 0.00 1.77 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 2.35 2.29 0.00 86 V 8.18 3.98 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 0.76 0.00 0.00 0.95 0.00 0.00 87 L 8.64 4.34 0.00 1.64 1.68 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.94 4.98 0.00 1.64 1.38 0.41 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.44 3.99 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 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.37 4.04 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 1.11 0.00 0.00 91 S 9.31 4.99 0.00 3.90 3.87 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 92 S 8.78 4.95 0.00 4.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.92 4.71 0.00 2.84 3.02 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 94 M 7.66 4.65 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 95 S 8.79 4.34 0.00 3.92 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 96 P 0.00 3.43 0.00 1.83 1.48 0.00 3.27 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.71 0.00 97 S 7.73 4.05 0.00 3.79 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 98 E 8.02 3.94 0.00 2.10 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 0.00 2.28 2.28 0.00 99 S 8.23 4.11 0.00 4.01 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 0.00 100 R 8.27 4.09 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 101 S 8.14 4.54 0.00 4.01 3.96 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 0.00 102 G 8.46 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 0.00 103 S 7.93 4.30 0.00 3.85 3.78 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 0.00 0.00 0.00 104 N 8.58 4.16 0.00 2.80 2.84 0.00 0.00 7.04 8.02 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 0.00 105 P 0.00 4.53 0.00 2.07 2.07 0.00 3.56 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 2.08 2.21 0.00 106 N 7.90 5.08 0.00 2.61 2.85 0.00 0.00 7.20 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 0.00 107 R 8.12 4.04 0.00 1.94 1.97 0.00 3.33 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 108 V 8.50 5.07 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 0.92 0.00 0.00 1.08 0.00 0.00 109 R 9.21 4.47 0.00 1.58 1.08 0.00 2.57 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.00 110 M 8.25 4.77 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 111 F 9.21 4.67 0.00 3.15 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 0.00 112 G 8.48 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 0.00 0.00 0.00 0.00 113 P 0.00 4.31 0.00 2.17 2.05 0.00 3.58 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 2.02 1.65 0.00 114 D 8.07 4.16 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.99 4.41 0.00 1.99 2.12 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.09 4.65 0.00 1.57 1.76 1.02 0.97 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 0.00 117 V 8.57 3.87 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 0.77 0.00 0.00 1.03 0.00 0.00 118 R 8.65 4.12 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 7.98 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.06 4.43 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 0.00 121 A 8.25 4.28 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 0.00 122 E 7.95 4.14 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 123 K 7.60 4.32 0.00 1.14 1.15 0.00 1.96 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.55 7.81 124 R 7.66 4.74 0.00 1.44 1.71 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 125 W 9.24 5.41 0.00 3.16 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.92 5.02 0.00 2.67 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 0.00 127 R 8.42 5.22 0.00 1.87 1.99 0.00 3.30 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 128 V 8.57 4.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.41 0.00 0.00 129 K 9.26 4.74 0.00 0.96 1.20 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.08 1.03 7.81 130 I 8.60 4.91 1.93 0.00 0.00 1.01 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 1.08 1.07 0.00 0.00 131 V 9.04 4.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 132 C 9.18 5.46 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.07 5.09 0.00 3.88 3.70 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 0.00 134 Q 8.44 4.46 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 1.89 2.25 0.00 135 P 0.00 4.28 0.00 1.58 1.90 0.00 2.84 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.92 0.00 136 Y 7.56 4.57 0.00 3.09 2.95 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 0.00 137 S 7.75 4.54 0.00 3.84 3.70 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 0.00 138 K 8.59 4.59 0.00 1.76 1.79 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.82 4.55 0.00 2.62 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 0.00 140 S 7.60 4.76 0.00 3.82 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 0.00 141 P 0.00 4.42 0.00 1.96 2.05 0.00 3.63 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 2.00 2.04 0.00 142 F 7.55 5.07 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 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 0.00 144 L 7.69 4.77 0.00 1.77 1.52 1.01 0.69 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 0.00 145 S 9.43 4.45 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.44 5.13 0.00 3.20 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 0.00 147 V 8.40 4.84 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 0.86 0.00 0.00 0.55 0.00 0.00 148 R 8.98 4.61 0.00 1.94 1.78 0.00 3.16 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 149 F 8.78 5.33 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.97 5.55 0.00 3.19 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.14 5.57 0.00 3.88 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.30 0.00 1.98 2.08 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 153 P 0.00 4.39 0.00 2.01 1.92 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00