NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4669 8.3044 118.1942 55.1951 32.5702 174.3887 1 V 4.2765 7.9003 119.2003 60.8805 34.6484 173.2560 2 L 4.3918 8.2575 127.0367 53.8688 43.7634 176.7895 3 S 4.5735 8.5231 117.1420 57.5615 65.5032 175.1400 4 E 4.2940 8.7899 122.3584 59.4277 29.3014 178.9168 5 G 3.6611 8.1205 105.3610 47.8928 0.0000 175.3839 6 E 3.9306 8.0867 120.6036 58.9449 29.4010 179.4499 7 W 4.3598 8.1277 118.9988 59.9141 29.0973 178.5802 8 Q 4.1602 8.5393 118.1911 59.0139 27.9067 178.8666 9 L 4.1077 7.9047 119.7494 57.5967 41.6096 179.7849 10 V 3.7727 7.8907 118.1965 66.2237 31.6089 178.2334 11 L 4.3108 8.6051 118.8793 57.5964 41.1559 179.0369 12 H 4.2561 8.5248 119.0696 59.2483 29.9496 177.6693 13 V 3.7264 7.7842 120.8464 64.2807 31.4150 178.1725 14 W 3.9241 8.4398 129.0018 60.1006 30.2738 177.7445 15 A 4.0162 7.9248 120.2346 55.0054 18.0165 179.4587 16 K 3.9582 7.3140 117.2134 59.3619 32.1257 179.6703 17 V 2.8854 7.0715 118.3577 65.6960 31.0497 177.6341 18 E 3.9188 7.5781 116.1288 58.0940 29.2940 178.5436 19 A 4.2038 7.4998 120.6767 53.8539 19.8426 177.6349 20 D 4.6564 7.8380 116.6491 52.0384 42.6142 175.4894 21 V 3.4585 7.9472 123.1210 65.5465 32.0838 176.7131 22 A 4.0515 8.0148 120.1366 55.1263 18.2536 179.6774 23 G 3.6656 8.2805 105.4727 47.8472 0.0000 175.7399 24 H 4.2097 8.2705 118.9546 58.1938 28.6411 178.1454 25 G 3.5990 8.2935 107.8707 47.8278 0.0000 175.7677 26 Q 3.8910 8.0300 120.5729 58.7575 28.8112 178.3872 27 D 4.3208 7.8960 119.7968 57.5870 40.8269 179.2879 28 I 3.6672 7.8594 120.0074 64.4262 37.0722 178.5829 29 L 3.4855 7.7346 119.7828 57.6476 41.3754 179.7042 30 I 3.7364 7.9040 120.1355 64.1346 36.9564 178.4709 31 R 3.7950 7.9538 119.6312 59.1879 29.8547 178.1886 32 L 3.8761 7.7753 120.1514 58.4376 41.9279 179.1294 33 F 4.5497 7.9154 117.7585 60.4352 38.5423 177.9044 34 K 4.0559 8.0614 117.6742 59.4096 32.0077 179.2656 35 S 4.2657 8.0184 114.6294 60.3058 64.2549 174.5109 36 H 4.7578 8.1993 118.2452 51.7526 29.4557 171.6322 37 P 4.5312 0.0000 0.0000 64.8507 31.3683 177.5639 38 E 4.1229 8.2899 115.9195 59.4702 29.3583 179.1283 39 T 3.7862 8.1945 110.9104 64.2911 68.9383 176.2877 40 L 3.7526 8.0516 123.0854 57.6938 41.7647 178.5627 41 E 4.0864 7.8607 117.7203 58.8106 29.4090 178.7863 42 K 4.2856 7.8946 117.2438 57.3045 33.3275 177.4448 43 F 4.2964 7.7068 119.0028 55.1608 37.6373 175.6621 44 D 4.3745 8.3055 125.0958 57.2637 41.1192 178.6632 45 R 4.1816 7.9103 117.1209 58.7403 30.4285 177.1676 46 F 5.1347 7.2825 111.7416 56.2549 38.4292 176.9465 47 K 4.0848 8.3279 123.0693 60.3822 31.9796 178.0329 48 H 4.4457 8.2252 112.7551 56.8791 29.0403 175.7464 49 L 4.0524 7.3411 120.9222 55.3825 41.8218 176.9699 50 K 4.3609 9.4378 122.6851 57.0975 33.7319 176.8950 51 T 4.7322 7.4622 107.5261 58.9925 73.0985 174.3204 52 E 3.9323 8.6118 120.9251 59.1896 29.4920 178.5279 53 A 3.9643 7.9332 120.4994 55.2965 18.2821 179.3296 54 E 3.9134 7.7907 115.4868 59.7238 29.7017 179.2118 55 M 4.1133 7.9709 118.8729 58.3118 31.8064 178.9927 56 K 3.9864 8.2614 117.7174 58.7172 32.2799 178.3629 57 A 4.4574 7.4269 118.9362 51.4027 19.4524 177.0237 58 S 4.1872 7.3043 113.9994 57.3750 62.7335 174.7066 59 E 4.0124 8.7471 127.4927 59.4662 29.5008 178.7307 60 D 4.3636 7.9392 119.5137 57.0252 40.9746 178.2777 61 L 3.1919 7.3974 120.8467 57.6516 42.0108 178.8463 62 K 3.8501 7.6875 119.1375 59.4950 32.1234 178.8843 63 K 4.0174 8.2303 118.8097 59.6686 31.8923 179.1484 64 D 4.6394 8.3391 119.3338 57.1287 40.6678 179.0935 65 G 3.5798 8.2670 106.5470 47.7171 0.0000 175.9871 66 V 3.6243 7.8587 120.8533 66.0110 31.6538 178.2389 67 T 3.9091 8.1431 115.2528 66.5373 68.3060 176.5178 68 A 4.0708 8.3791 122.8163 55.3844 18.4351 179.7887 69 L 4.1992 8.2289 117.5774 58.2496 41.6552 179.9695 70 T 4.0119 8.3109 115.7741 66.5032 68.4812 176.6953 71 A 4.0207 8.0657 122.6738 55.0331 18.3378 179.4830 72 L 3.7705 8.2115 119.1241 58.0083 42.1291 179.4135 73 G 3.2720 8.5326 105.9416 47.6059 0.0000 175.5320 74 A 4.0133 7.7276 122.1981 54.8572 18.7455 179.5845 75 I 3.7884 7.5052 117.8140 64.5621 37.2447 178.6465 76 L 3.9914 7.8098 119.9853 57.7176 41.1745 179.6673 77 K 3.9917 7.7369 116.9352 58.4908 32.3664 178.7529 78 K 3.9649 7.7517 117.9532 55.9973 32.5024 176.6586 79 K 2.0000 8.2395 118.1452 56.4448 29.8466 175.5120 80 G 3.9811 7.9997 106.1367 45.7732 0.0000 174.2220 81 H 4.5657 7.2993 118.7964 55.0580 27.4658 174.7694 82 H 5.4334 7.5673 111.2723 54.4777 29.4346 176.7767 83 E 3.9753 8.6377 120.4935 60.5288 28.7818 178.6686 84 A 4.0200 7.9466 120.1489 54.6736 17.4322 178.9976 85 E 4.1049 8.1527 116.5954 59.4651 29.6187 179.3498 86 L 4.2864 8.1868 119.0702 57.2591 41.6345 179.2806 87 K 3.9137 7.8157 118.7786 59.2307 32.0804 177.4684 88 P 4.3279 0.0000 0.0000 65.6781 31.2759 178.1923 89 L 4.0067 7.5425 117.5935 57.9663 42.0672 178.7849 90 A 4.2385 8.5311 121.2413 55.1953 18.2809 179.4083 91 Q 3.8998 8.2549 118.3387 59.3461 29.1182 178.6674 92 S 4.0041 8.1336 115.3498 61.8750 63.1404 176.1172 93 H 4.2529 8.6499 119.3911 57.6192 28.2178 177.5280 94 A 3.0956 7.6779 122.0775 54.4562 18.8244 179.0224 95 T 3.8689 7.5174 112.4718 65.0678 69.0642 176.2570 96 K 4.0619 7.4448 119.9283 58.8472 32.8227 177.2804 97 H 4.2740 7.9873 114.4392 56.1754 29.4676 175.5080 98 K 3.3368 7.5236 117.2346 57.0845 28.6153 175.4728 99 I 4.3401 8.3631 118.8903 58.7396 38.4785 175.0234 100 P 4.4532 0.0000 0.0000 62.1349 32.1781 177.3927 101 I 3.6228 8.4225 121.2788 64.4973 36.8396 178.5341 102 K 3.5969 7.8881 119.9486 59.8543 31.9100 178.2056 103 Y 4.2341 7.8664 116.5792 60.7142 37.7788 178.1144 104 L 4.2582 7.8263 119.7713 57.5005 41.8025 179.0721 105 E 4.0413 8.0437 118.9073 59.3461 29.4662 179.2216 106 F 4.5495 7.9870 117.9280 60.8537 38.9724 177.6210 107 I 3.9074 8.1975 118.0557 63.9142 37.7402 178.1086 108 S 4.2141 8.1529 116.4639 61.4590 62.6318 176.1509 109 E 4.0265 8.4814 121.9545 59.2130 29.3700 178.7677 110 A 4.0400 8.0254 120.7881 55.0721 18.4345 179.6621 111 I 3.6856 8.0343 118.4184 64.7325 37.2636 178.7533 112 I 3.8706 7.8845 120.6353 64.5548 36.9212 178.0278 113 H 4.1603 8.4613 119.1530 59.3238 29.6617 177.5857 114 V 3.5347 7.9888 120.1037 65.9611 31.2928 178.0129 115 L 3.7653 7.8501 118.7990 57.8065 41.0343 178.9462 116 H 4.3868 7.8620 117.4245 59.3672 29.8792 177.3390 117 S 4.1674 7.7354 115.9736 61.5919 62.8459 176.4085 118 R 4.0945 7.9484 119.0188 57.3860 31.2081 176.3923 119 H 5.0286 8.2260 115.8569 53.6223 29.5655 172.8600 120 P 4.3036 0.0000 0.0000 65.9883 31.4944 179.2938 121 G 3.6243 8.1638 106.4204 47.4938 0.0000 173.6688 122 N 5.0506 8.2285 115.1964 52.8991 39.5789 174.7590 123 F 4.9439 7.8239 118.8320 56.4633 39.5285 174.2585 124 G 3.9156 7.6553 109.0579 43.6942 0.0000 171.9471 125 A 3.8965 8.4612 120.7341 55.5425 18.2077 179.6595 126 D 4.2173 7.9797 116.3851 57.4358 40.9270 178.7906 127 A 3.9262 7.7419 120.7927 55.1146 18.3934 179.3135 128 Q 3.0910 7.8334 118.4879 58.8043 29.0131 178.6637 129 G 3.5003 8.0320 106.6502 47.6531 0.0000 175.6041 130 A 3.8792 7.8993 123.2464 55.0201 18.3513 179.4487 131 M 4.0185 8.2001 116.8789 58.7174 32.2867 177.9663 132 N 4.3239 8.5541 117.7419 56.5439 39.1486 176.7742 133 K 3.8694 8.1406 120.8566 59.3715 32.2521 178.7028 134 A 3.8453 7.9788 121.1100 55.1079 18.2064 179.6722 135 L 4.1256 8.1926 117.6100 57.8211 41.5867 179.5499 136 E 3.9802 8.6485 119.2364 59.1608 29.3234 179.0896 137 L 3.9465 8.0522 120.4432 58.0306 42.1395 178.6956 138 F 4.1433 8.3280 120.5766 61.6021 39.2991 177.3782 139 R 3.4746 8.3017 117.7729 58.7716 29.8322 179.0338 140 K 3.8258 8.2446 119.8038 59.6548 32.3697 178.7422 141 D 4.3097 8.1613 119.2968 57.2325 40.6425 178.6131 142 I 3.4411 7.5821 119.1692 63.6803 37.9291 177.8246 143 A 3.5956 7.8624 121.6877 54.8964 18.2860 179.4513 144 A 3.9435 7.8297 119.1994 55.2430 18.4005 180.0870 145 K 4.0134 7.9355 116.6309 59.6440 32.0388 179.0481 146 Y 4.4130 8.2972 117.3139 61.2018 37.8062 178.9930 147 K 3.9779 8.0694 118.9041 59.7408 32.0125 179.3165 148 E 4.0434 7.9049 116.8777 59.1746 29.4482 178.7895 149 L 4.3241 7.9473 117.0960 55.3683 41.9179 177.8325 150 G 3.9158 7.9883 107.3299 45.6044 0.0000 173.1216 151 Y 4.4289 7.8674 118.7309 57.4423 40.1406 176.4314 152 Q 3.0198 7.8011 120.0187 56.4110 26.9942 174.2098 153 G 3.3902 7.4506 111.1610 45.7698 0.0000 170.8518 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 M 8.30 4.47 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 1 V 7.90 4.28 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.39 0.00 0.93 0.77 0.61 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.52 4.57 0.00 4.07 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 4 E 8.79 4.29 0.00 2.20 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 0.00 2.43 2.51 0.00 5 G 8.12 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 0.00 0.00 0.00 6 E 8.09 3.93 0.00 1.97 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 2.21 2.26 0.00 7 W 8.13 4.36 0.00 3.60 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.54 4.16 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 7.90 4.11 0.00 1.84 1.75 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.89 3.77 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.61 4.31 0.00 1.84 1.82 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.26 0.00 3.44 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.73 2.43 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 1.04 0.00 0.00 0.87 0.00 0.00 14 W 8.44 3.92 0.00 3.69 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.92 4.02 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 16 K 7.31 3.96 0.00 1.52 1.68 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 V 7.07 2.89 0.98 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 -0.03 0.00 0.00 0.40 0.00 0.00 18 E 7.58 3.92 0.00 2.02 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 2.24 2.11 0.00 19 A 7.50 4.20 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 20 D 7.84 4.66 0.00 2.66 2.51 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 21 V 7.95 3.46 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 1.06 0.00 0.00 0.85 0.00 0.00 22 A 8.01 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.28 3.67 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 0.00 0.00 0.00 24 H 8.27 4.21 0.00 3.12 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.29 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 26 Q 8.03 3.89 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 27 D 7.90 4.32 0.00 2.84 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 28 I 7.86 3.67 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.90 0.00 0.00 29 L 7.73 3.49 0.00 1.50 1.22 0.91 0.60 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 30 I 7.90 3.74 1.89 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 1.44 0.92 0.91 0.00 0.00 31 R 7.95 3.80 0.00 1.96 2.07 0.00 3.03 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 32 L 7.78 3.88 0.00 1.71 1.38 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 4.55 0.00 3.09 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 34 K 8.06 4.06 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.75 7.81 35 S 8.02 4.27 0.00 3.66 3.54 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 36 H 8.20 4.76 0.00 3.06 2.92 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.53 0.00 2.17 2.15 0.00 3.86 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 2.12 2.17 0.00 38 E 8.29 4.12 0.00 2.31 2.31 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 2.35 2.59 0.00 39 T 8.19 3.79 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 0.74 0.00 0.00 40 L 8.05 3.75 0.00 1.47 1.78 0.20 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.09 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 42 K 7.89 4.29 0.00 1.71 1.64 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.70 1.87 7.81 43 F 7.71 4.30 0.00 2.63 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 0.00 0.00 0.00 0.00 44 D 8.31 4.37 0.00 2.60 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.91 4.18 0.00 1.74 2.26 0.00 3.34 0.00 0.00 3.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 46 F 7.28 5.13 0.00 3.04 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 47 K 8.33 4.08 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.52 7.81 48 H 8.23 4.45 0.00 3.29 3.43 0.00 5.54 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 49 L 7.34 4.05 0.00 1.63 1.60 0.80 0.67 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 50 K 9.44 4.36 0.00 1.67 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 T 7.46 4.73 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 52 E 8.61 3.93 0.00 2.05 1.97 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 2.36 2.37 0.00 53 A 7.93 3.96 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 54 E 7.79 3.91 0.00 2.09 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 2.33 2.33 0.00 55 M 7.97 4.11 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 56 K 8.26 3.99 0.00 1.82 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 A 7.43 4.46 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 58 S 7.30 4.19 0.00 3.69 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 59 E 8.75 4.01 0.00 2.22 2.17 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 2.35 2.40 0.00 60 D 7.94 4.36 0.00 2.79 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 61 L 7.40 3.19 0.00 0.66 1.40 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.69 3.85 0.00 1.82 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 63 K 8.23 4.02 0.00 2.03 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.76 7.81 64 D 8.34 4.64 0.00 3.02 2.98 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 65 G 8.27 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 66 V 7.86 3.62 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 1.05 0.00 0.00 0.97 0.00 0.00 67 T 8.14 3.91 4.48 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 1.30 0.00 0.00 68 A 8.38 4.07 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 69 L 8.23 4.20 0.00 1.79 1.92 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.31 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 71 A 8.07 4.02 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 72 L 8.21 3.77 0.00 1.61 1.77 0.28 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 3.27 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 0.00 74 A 7.73 4.01 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 75 I 7.51 3.79 1.86 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 1.55 1.16 0.93 0.00 0.00 76 L 7.81 3.99 0.00 1.35 1.55 -0.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 3.99 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.56 7.81 78 K 7.75 3.96 0.00 1.85 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.75 7.81 79 K 8.24 2.00 0.00 1.26 0.74 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.44 0.87 7.81 80 G 8.00 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 0.00 0.00 0.00 81 H 7.30 4.57 0.00 3.17 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.57 5.43 0.00 3.30 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.98 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 84 A 7.95 4.02 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 85 E 8.15 4.10 0.00 2.26 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 2.41 2.47 0.00 86 L 8.19 4.29 0.00 1.91 1.71 0.98 0.56 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 87 K 7.82 3.91 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.93 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 2.23 2.05 0.00 89 L 7.54 4.01 0.00 1.82 1.93 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.53 4.24 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.25 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.13 4.00 0.00 4.02 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 93 H 8.65 4.25 0.00 3.61 3.64 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.68 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.52 3.87 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 1.09 0.00 0.00 96 K 7.44 4.06 0.00 1.54 1.64 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.99 4.27 0.00 3.02 3.14 0.00 5.86 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 98 K 7.52 3.34 0.00 1.75 1.73 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.11 7.81 99 I 8.36 4.34 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 1.17 0.00 0.00 100 P 0.00 4.45 0.00 1.93 1.96 0.00 3.19 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 0.86 1.12 0.00 101 I 8.42 3.62 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 0.83 0.00 0.00 102 K 7.89 3.60 0.00 1.67 1.56 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.52 7.81 103 Y 7.87 4.23 0.00 3.19 3.06 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 0.00 104 L 7.83 4.26 0.00 1.84 1.81 0.73 1.18 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 0.00 105 E 8.04 4.04 0.00 2.11 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 2.33 2.42 0.00 106 F 7.99 4.55 0.00 3.26 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 0.00 107 I 8.20 3.91 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 1.59 1.39 1.09 0.00 0.00 108 S 8.15 4.21 0.00 4.24 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.48 4.03 0.00 2.18 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 0.00 2.37 2.40 0.00 110 A 8.03 4.04 1.43 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 0.00 111 I 8.03 3.69 2.12 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 1.62 1.02 1.05 0.00 0.00 112 I 7.88 3.87 2.13 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 1.71 1.17 1.14 0.00 0.00 113 H 8.46 4.16 0.00 3.36 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.53 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 0.99 0.00 0.00 0.98 0.00 0.00 115 L 7.85 3.77 0.00 1.10 0.13 0.88 0.71 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 0.00 116 H 7.86 4.39 0.00 3.48 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.74 4.17 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.95 4.09 0.00 1.49 1.63 0.00 3.11 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 119 H 8.23 5.03 0.00 3.19 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.21 2.28 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 121 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.23 5.05 0.00 2.79 2.93 0.00 0.00 6.68 7.60 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 0.00 123 F 7.82 4.94 0.00 2.98 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 0.00 124 G 7.66 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.46 3.90 1.28 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 0.00 0.00 126 D 7.98 4.22 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 127 A 7.74 3.93 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 0.00 128 Q 7.83 3.09 0.00 1.22 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 129 G 8.03 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.90 3.88 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 0.00 131 M 8.20 4.02 0.00 2.50 2.38 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.55 4.32 0.00 2.91 2.93 0.00 0.00 6.85 6.34 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 0.00 133 K 8.14 3.87 0.00 1.90 1.76 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.98 3.85 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 0.00 135 L 8.19 4.13 0.00 1.90 1.82 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.98 0.00 2.14 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 2.34 2.59 0.00 137 L 8.05 3.95 0.00 1.88 1.96 1.02 0.91 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 0.00 138 F 8.33 4.14 0.00 3.08 3.23 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 0.00 139 R 8.30 3.47 0.00 1.97 1.84 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 140 K 8.24 3.83 0.00 1.85 1.92 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.16 4.31 0.00 2.66 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 0.00 142 I 7.58 3.44 1.12 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.89 0.31 0.00 0.00 143 A 7.86 3.60 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 A 7.83 3.94 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 0.00 145 K 7.94 4.01 0.00 2.07 1.94 0.00 1.57 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.30 4.41 0.00 3.11 3.06 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 0.00 147 K 8.07 3.98 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.80 7.81 148 E 7.90 4.04 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 149 L 7.95 4.32 0.00 1.82 1.72 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.87 4.43 0.00 2.55 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 0.00 152 Q 7.80 3.02 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 153 G 7.45 3.39 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 0.00 0.00 0.00