NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3544 8.3044 120.3455 54.5454 33.2433 176.8128 2 L 4.6688 8.0342 112.0628 53.3439 43.9969 168.5972 3 M 4.3434 7.3148 118.0791 51.7633 35.8119 173.3817 4 P 4.6857 0.0000 0.0000 62.9304 32.0803 176.2090 5 R 4.3432 8.3037 116.3099 57.0157 31.0337 176.2781 6 R 4.6942 7.4789 114.4120 55.7755 34.4668 172.7705 7 M 4.7301 7.8493 115.7840 55.2651 35.1212 174.1229 8 K 4.3716 8.6683 115.0958 57.0595 34.9181 176.2530 9 Y 4.6029 7.6768 114.2603 56.0878 41.5984 175.0901 10 R 4.2583 8.8380 123.5933 57.6824 30.8461 176.6537 11 K 4.7130 7.9793 115.9092 54.2973 34.7226 175.2475 12 Q 4.6183 8.2747 119.9284 53.7693 31.6170 174.9761 13 Q 4.0291 8.7955 118.6805 56.5999 29.3883 177.0178 14 R 4.2335 8.9970 122.3245 59.0152 30.3010 174.2992 15 G 4.0375 8.0153 110.3461 44.7563 0.0000 173.0087 16 R 4.2041 8.3239 121.7919 54.9942 31.3082 176.0496 17 L 4.5530 8.0918 123.0252 53.2049 42.4709 176.3963 18 K 4.5477 8.3002 135.0000 56.5609 31.6895 174.6953 19 G 4.2968 8.3261 106.6185 44.9248 0.0000 172.0511 20 A 3.5705 8.7402 123.4593 53.4113 16.4868 177.9276 21 T 4.1458 8.5535 110.7035 63.6498 73.4506 175.7681 22 K 3.8955 8.5573 120.4061 55.8566 32.2498 175.1040 23 G 3.9330 8.1572 107.3147 46.4930 0.0000 172.8382 24 G 3.8475 8.0601 106.6961 44.9862 0.0000 175.2484 25 D 4.7992 8.2425 118.9412 55.2894 39.6991 176.3947 26 Y 5.0981 7.6145 116.1071 55.2024 40.1253 175.6028 27 V 3.4408 8.0050 121.1834 66.0778 31.5919 176.9471 28 A 3.7228 8.3330 116.5271 52.9242 15.8774 176.7724 29 F 4.3431 7.4028 112.6672 58.6983 45.0534 179.2455 30 G 4.1009 10.1625 116.5005 45.9059 0.0000 171.6644 31 D 4.6497 8.8968 117.2287 55.5725 42.7803 176.2747 32 Y 4.8567 8.0408 113.7367 56.5849 43.1295 174.2675 33 G 4.2272 8.7091 106.3939 45.5613 0.0000 171.4363 34 L 5.4560 8.7159 121.2732 53.0547 44.9707 175.5779 35 V 5.0219 9.2508 125.5571 59.6905 34.9166 175.1408 36 A 4.5885 8.6321 124.0972 52.2101 19.3143 178.0462 37 L 4.5553 8.3113 115.9595 55.0389 44.7835 177.1773 38 E 4.7519 8.1676 115.9861 54.0809 31.8491 174.4393 39 P 4.8670 0.0000 0.0000 61.8685 32.9479 175.1742 40 A 4.3790 8.4200 124.2317 51.9444 23.3745 175.8228 41 W 5.2120 8.8073 119.6103 55.8998 29.9729 176.1809 42 I 4.6883 8.7242 127.5807 60.0853 38.4240 175.9258 43 T 4.6511 8.9676 117.4863 60.6348 70.3111 175.2199 44 A 3.9217 8.6953 127.1520 55.8018 18.2481 180.1175 45 Q 3.9576 8.1555 115.0447 59.7065 28.3699 178.8779 46 Q 4.0530 7.9154 119.3393 59.2665 28.7575 178.2972 47 I 3.8447 8.2732 120.5387 65.3005 37.1816 177.8161 48 E 3.8770 8.7502 119.1316 59.2989 29.2266 178.8256 49 A 3.9715 8.6892 121.2432 55.8234 18.3053 179.0471 50 A 3.9134 8.1463 119.0605 54.3435 18.5867 179.9463 51 R 3.5428 8.1062 116.1129 59.1425 30.5078 178.8568 52 V 3.4661 8.2954 118.0586 65.9304 31.3772 177.3198 53 A 3.8679 7.1716 118.6354 55.9858 18.4401 178.5771 54 M 3.5394 8.3373 116.1397 59.1039 32.0846 178.4171 55 V 3.6192 7.8902 118.3750 65.4267 31.2835 178.3954 56 R 3.8700 7.8523 118.6816 58.7525 29.9452 178.2280 57 H 4.2846 7.7624 117.6167 57.5686 31.1886 175.4997 58 F 4.9393 7.2882 115.7946 53.5814 37.0407 174.0051 59 R 3.7793 8.3628 121.7408 59.2127 29.9771 177.8869 60 R 3.6931 8.4373 117.5136 57.4421 28.8808 175.6564 61 G 3.9577 7.3535 113.9661 45.4585 0.0000 172.8241 62 G 3.7794 7.6601 118.5874 45.0481 0.0000 171.7449 63 K 4.4468 8.6594 123.8588 55.0300 35.1033 176.2616 64 I 4.8732 7.4941 121.8796 59.5386 41.4882 175.0850 65 F 4.8094 8.9653 123.7176 55.6946 42.1751 173.9156 66 I 4.6417 8.4949 118.3335 59.9677 38.0705 176.0085 67 R 4.2536 9.5973 127.4671 57.2864 30.8515 177.1993 68 I 4.2256 7.4128 111.4920 59.6076 39.0718 174.7914 69 F 4.7054 8.3216 123.5398 55.7387 42.1112 172.6512 70 P 5.1389 0.0000 0.0000 61.8064 30.4030 174.8486 71 D 4.7944 8.4710 121.5105 52.4165 40.5475 174.8164 72 K 4.5131 7.8728 121.6285 54.2913 34.2639 173.4075 73 P 4.0814 0.0000 0.0000 62.7800 31.8905 175.4186 74 Y 4.0107 8.6236 127.1123 57.3227 40.2699 174.4365 75 T 5.0705 8.3632 122.0851 60.6011 70.6695 173.1637 76 K 4.5753 8.5997 127.4886 55.2360 34.4440 175.5964 77 K 4.7277 8.3941 123.2146 54.1476 33.7595 175.0890 78 P 4.4171 0.0000 0.0000 62.2543 31.7784 176.2684 79 L 4.0128 8.2051 122.2193 56.3257 42.5019 177.9823 80 E 4.0262 8.9841 123.6273 56.4721 27.6824 175.1081 81 V 3.8833 7.1750 117.1203 61.3078 32.1641 175.4270 82 R 4.6493 7.9838 116.6508 53.8558 31.9049 175.3640 83 M 3.7390 8.3738 117.4688 57.3283 32.4606 176.9061 84 G 3.6970 8.5348 107.3648 45.4786 0.0000 172.2242 85 K 3.6107 9.3209 113.2808 57.4627 29.0876 175.5376 86 G 3.8807 8.0680 104.6598 44.9384 0.0000 171.9323 87 K 4.3820 8.1956 119.2998 54.3214 33.3767 176.2605 88 G 4.2647 8.3769 111.8139 46.3383 0.0000 171.5166 89 N 5.2444 8.4045 115.2324 50.7594 42.1710 174.8622 90 V 3.8663 8.4034 120.9671 64.2037 31.2886 175.4485 91 E 4.2556 9.2718 127.3304 56.5297 31.1803 176.3428 92 G 3.8192 6.5948 104.8546 45.9375 0.0000 170.7124 93 Y 5.0645 7.6875 115.2564 56.4345 42.5715 174.9256 94 V 4.9781 8.5213 114.5952 59.6719 36.7013 173.9830 95 A 4.8314 9.0452 123.5177 50.0946 21.4950 175.9861 96 V 4.1629 8.5538 123.1410 62.7096 32.1949 175.4610 97 V 4.3637 8.9378 129.7585 61.2303 33.6091 174.9168 98 K 4.8214 8.4944 127.2140 54.0340 34.6216 174.6524 99 P 4.3333 0.0000 0.0000 64.4248 31.7608 177.2598 100 G 3.9591 8.9633 109.5500 45.2530 0.0000 172.9449 101 R 4.1987 7.4536 120.4929 55.8723 31.4451 175.4549 102 V 3.7801 8.0326 126.4375 62.9994 31.3044 174.4976 103 M 3.8176 8.8506 130.1210 55.2606 31.8654 178.5705 104 F 5.8099 7.6552 118.3111 55.5348 43.6768 174.2963 105 E 5.4479 8.2853 113.8269 56.6001 31.6622 176.6809 106 V 4.9406 8.2302 117.2615 60.7591 34.4620 174.6554 107 A 4.8794 8.7504 122.4730 52.0763 22.9736 177.2957 108 G 3.9818 9.7099 108.7081 45.4576 0.0000 173.4451 109 V 4.3708 7.2812 116.3378 59.6518 34.9352 175.0612 110 T 4.0635 8.3769 118.2404 62.2065 69.1985 174.7515 111 E 3.4588 8.6390 124.6541 58.8543 29.5474 178.4433 112 E 4.0152 8.0634 118.5289 58.3549 29.7890 178.1073 113 Q 4.3328 7.7311 117.2048 58.2727 29.6729 177.4673 114 A 3.7932 7.6696 121.6185 55.3213 18.2296 179.6441 115 M 3.8951 7.7636 117.1065 58.7087 32.2439 178.6614 116 E 3.9691 8.0489 118.5260 58.8774 29.9642 178.3310 117 A 3.5756 8.6671 121.9744 54.3363 18.3142 179.0064 118 L 4.2519 7.7496 116.6934 56.3926 41.8626 179.1974 119 R 3.8723 7.4241 118.1597 59.2546 30.2222 178.3499 120 I 3.8598 7.6276 118.9085 64.4063 37.2071 177.9077 121 A 3.8787 7.4537 120.2942 55.3833 17.9532 179.7911 122 G 3.6002 7.9874 103.7678 48.4865 0.0000 175.4558 123 H 3.9341 8.0554 117.4756 58.2804 28.7449 177.3564 124 K 4.1646 7.7458 119.0784 57.4013 32.3931 177.4260 125 L 4.3665 7.8584 119.8456 53.7654 42.2072 175.0740 126 P 4.6570 0.0000 0.0000 63.1189 31.7175 175.6577 127 I 4.9030 7.1887 111.1066 58.7797 40.4042 174.9493 128 K 4.3650 8.6725 120.5719 57.1729 33.1562 176.1286 129 T 4.9083 8.1896 111.7467 60.4077 72.7538 172.5924 130 K 4.6592 9.1107 122.0120 55.0374 35.5958 175.4810 131 I 4.7574 8.5112 127.6729 61.5680 38.6961 175.1057 132 V 4.6907 8.7394 116.7118 59.9201 36.8800 175.0101 133 R 4.7160 8.6749 121.9585 55.5548 29.5261 178.1078 134 R 5.2498 8.5870 107.0925 55.0271 32.0714 174.2186 135 D 4.9793 7.8995 131.6352 53.7484 40.4369 178.6301 136 A 4.2083 8.3633 130.6023 53.6606 17.4994 179.0602 137 Y 4.5075 7.3780 114.2591 59.2683 37.4856 175.7022 138 D 4.8048 8.5888 121.9877 53.1380 41.4082 177.1406 139 E 4.5170 8.3481 126.9545 55.5585 31.7073 177.3410 140 A 3.8921 8.3078 122.3301 52.8168 17.4946 178.2896 141 Q 4.2962 8.8860 119.8674 55.7813 29.8038 173.7924 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 8.30 4.35 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 L 8.03 4.67 0.00 1.64 1.45 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.31 4.34 0.00 1.67 0.95 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 2.22 2.33 0.00 4 P 0.00 4.69 0.00 2.39 2.22 0.00 2.76 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 5 R 8.30 4.34 0.00 1.80 2.00 0.00 3.19 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 6 R 7.48 4.69 0.00 1.73 1.79 0.00 3.22 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 7 M 7.85 4.73 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 8 K 8.67 4.37 0.00 1.84 1.38 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.43 7.81 9 Y 7.68 4.60 0.00 2.96 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 10 R 8.84 4.26 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 11 K 7.98 4.71 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 12 Q 8.27 4.62 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 13 Q 8.80 4.03 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 14 R 9.00 4.23 0.00 1.86 2.19 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 15 G 8.02 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 0.00 0.00 0.00 16 R 8.32 4.20 0.00 1.76 1.81 0.00 3.18 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 17 L 8.09 4.55 0.00 1.60 1.60 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.30 4.55 0.00 1.72 1.54 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 19 G 8.33 4.30 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 0.00 20 A 8.74 3.57 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 21 T 8.55 4.15 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 1.28 0.00 0.00 22 K 8.56 3.90 0.00 1.90 1.96 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.44 7.81 23 G 8.16 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 24 G 8.06 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 0.00 0.00 0.00 25 D 8.24 4.80 0.00 2.93 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 26 Y 7.61 5.10 0.00 3.38 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 27 V 8.00 3.44 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 0.95 0.00 0.00 0.16 0.00 0.00 28 A 8.33 3.72 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 29 F 7.40 4.34 0.00 2.79 1.63 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 30 G 10.16 4.10 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 0.00 31 D 8.90 4.65 0.00 2.87 2.42 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 32 Y 8.04 4.86 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 33 G 8.71 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 34 L 8.72 5.46 0.00 1.85 1.73 1.04 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.25 5.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.05 0.00 0.00 36 A 8.63 4.59 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 37 L 8.31 4.56 0.00 1.54 1.68 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.17 4.75 0.00 1.85 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 2.23 2.33 0.00 39 P 0.00 4.87 0.00 1.92 1.98 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 40 A 8.42 4.38 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 41 W 8.81 5.21 0.00 3.23 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 42 I 8.72 4.69 1.92 0.00 0.00 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 1.35 0.90 0.97 0.00 0.00 43 T 8.97 4.65 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 1.35 0.00 0.00 44 A 8.70 3.92 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 45 Q 8.16 3.96 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 46 Q 7.92 4.05 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 47 I 8.27 3.84 2.12 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 1.53 0.88 1.08 0.00 0.00 48 E 8.75 3.88 0.00 2.05 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 2.29 2.32 0.00 49 A 8.69 3.97 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 50 A 8.15 3.91 1.02 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 51 R 8.11 3.54 0.00 1.90 2.05 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 52 V 8.30 3.47 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 0.91 0.00 0.00 0.91 0.00 0.00 53 A 7.17 3.87 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 54 M 8.34 3.54 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 55 V 7.89 3.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 56 R 7.85 3.87 0.00 1.89 2.03 0.00 3.30 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 57 H 7.76 4.28 0.00 2.97 3.05 0.00 5.70 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 58 F 7.29 4.94 0.00 2.96 3.11 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 0.00 0.00 0.00 0.00 59 R 8.36 3.78 0.00 1.94 2.05 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 60 R 8.44 3.69 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 61 G 7.35 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 0.00 0.00 0.00 62 G 7.66 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 0.00 0.00 0.00 63 K 8.66 4.45 0.00 1.67 1.45 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.63 1.15 7.81 64 I 7.49 4.87 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.99 0.00 0.00 65 F 8.97 4.81 0.00 2.88 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 66 I 8.49 4.64 1.98 0.00 0.00 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 1.43 0.63 1.19 0.00 0.00 67 R 9.60 4.25 0.00 1.88 1.88 0.00 3.26 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 68 I 7.41 4.23 1.82 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 0.97 0.46 0.78 0.00 0.00 69 F 8.32 4.71 0.00 2.85 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 70 P 0.00 5.14 0.00 2.01 1.94 0.00 2.20 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.00 71 D 8.47 4.79 0.00 2.91 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.87 4.51 0.00 1.75 1.45 0.00 1.61 0.00 0.00 1.20 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.66 7.81 73 P 0.00 4.08 0.00 1.90 1.84 0.00 3.73 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 2.20 2.35 0.00 74 Y 8.62 4.01 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 5.07 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 1.28 0.00 0.00 76 K 8.60 4.58 0.00 2.12 1.72 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 77 K 8.39 4.73 0.00 1.81 1.73 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 78 P 0.00 4.42 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 79 L 8.21 4.01 0.00 1.68 1.53 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.98 4.03 0.00 2.19 2.13 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 2.19 2.29 0.00 81 V 7.18 3.88 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 0.71 0.00 0.00 0.94 0.00 0.00 82 R 7.98 4.65 0.00 1.91 1.94 0.00 3.08 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 83 M 8.37 3.74 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 84 G 8.53 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 0.00 0.00 0.00 85 K 9.32 3.61 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.36 7.81 86 G 8.07 3.88 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 0.00 0.00 0.00 87 K 8.20 4.38 0.00 1.73 1.72 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 88 G 8.38 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 0.00 0.00 0.00 0.00 89 N 8.40 5.24 0.00 2.74 2.69 0.00 0.00 7.07 7.27 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 90 V 8.40 3.87 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 0.42 0.00 0.00 0.89 0.00 0.00 91 E 9.27 4.26 0.00 1.57 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 2.21 2.37 0.00 92 G 6.59 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 0.00 0.00 0.00 93 Y 7.69 5.06 0.00 2.80 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 94 V 8.52 4.98 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 0.71 0.00 0.00 0.19 0.00 0.00 95 A 9.05 4.83 1.18 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 0.00 0.00 96 V 8.55 4.16 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 0.89 0.00 0.00 1.05 0.00 0.00 97 V 8.94 4.36 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 0.93 0.00 0.00 0.94 0.00 0.00 98 K 8.49 4.82 0.00 1.83 1.79 0.00 1.76 0.00 0.00 2.10 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.50 7.81 99 P 0.00 4.33 0.00 2.05 2.14 0.00 3.72 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 2.04 2.22 0.00 100 G 8.96 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 0.00 0.00 0.00 101 R 7.45 4.20 0.00 2.25 1.80 0.00 3.24 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 102 V 8.03 3.78 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 0.77 0.00 0.00 0.96 0.00 0.00 103 M 8.85 3.82 0.00 0.97 1.53 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 104 F 7.66 5.81 0.00 3.10 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 0.00 105 E 8.29 5.45 0.00 2.47 2.13 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 2.38 2.30 0.00 106 V 8.23 4.94 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 1.06 0.00 0.00 1.11 0.00 0.00 107 A 8.75 4.88 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 0.00 0.00 108 G 9.71 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 0.00 109 V 7.28 4.37 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 0.79 0.00 0.00 0.35 0.00 0.00 110 T 8.38 4.06 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 1.26 0.00 0.00 111 E 8.64 3.46 0.00 2.24 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 2.34 2.14 0.00 112 E 8.06 4.02 0.00 2.02 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 2.33 2.35 0.00 113 Q 7.73 4.33 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 114 A 7.67 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 M 7.76 3.90 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 116 E 8.05 3.97 0.00 2.06 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 2.45 2.41 0.00 117 A 8.67 3.58 0.96 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 0.00 0.00 118 L 7.75 4.25 0.00 1.78 1.74 1.03 0.86 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 0.00 119 R 7.42 3.87 0.00 1.93 2.06 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 120 I 7.63 3.86 1.77 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 1.72 0.69 0.87 0.00 0.00 121 A 7.45 3.88 1.02 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 0.00 122 G 7.99 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 0.00 123 H 8.06 3.93 0.00 3.34 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.75 4.16 0.00 1.80 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.68 7.81 125 L 7.86 4.37 0.00 1.88 1.67 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.66 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 127 I 7.19 4.90 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.99 0.00 0.00 128 K 8.67 4.36 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.59 7.81 129 T 8.19 4.91 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 1.34 0.00 0.00 130 K 9.11 4.66 0.00 1.82 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.46 7.81 131 I 8.51 4.76 1.94 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 1.37 0.58 1.04 0.00 0.00 132 V 8.74 4.69 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 0.99 0.00 0.00 0.98 0.00 0.00 133 R 8.67 4.72 0.00 1.76 0.90 0.00 3.01 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.15 0.00 134 R 8.59 5.25 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 135 D 7.90 4.98 0.00 2.29 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 0.00 0.00 0.00 0.00 136 A 8.36 4.21 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.38 4.51 0.00 3.07 3.04 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 0.00 138 D 8.59 4.80 0.00 2.58 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 0.00 139 E 8.35 4.52 0.00 1.69 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 1.58 1.47 0.00 140 A 8.31 3.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.89 4.30 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00