NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4081 8.3349 115.4120 57.9372 64.3418 172.7391 2 L 4.3569 8.2091 122.0753 52.1289 42.5757 176.3646 3 S 4.5251 9.6954 120.7492 57.5093 66.4547 174.7078 4 D 4.3389 8.5197 121.0240 57.3039 40.4261 178.8498 5 K 3.8613 8.0383 119.5705 59.6502 32.1191 178.2504 6 D 4.7409 8.1154 120.2945 56.9537 40.7862 178.9483 7 K 3.8897 8.2113 118.6411 59.4167 31.9526 179.3217 8 A 3.9424 8.2412 120.8509 55.0435 18.3258 179.5384 9 A 3.9136 7.9785 119.3772 55.2595 18.3895 180.0956 10 V 3.4167 8.0515 117.1074 66.2133 31.5312 178.5728 11 R 3.9472 8.1181 117.6804 59.0392 29.9696 178.9406 12 A 3.9637 8.4044 121.1700 54.9057 18.3134 179.4664 13 L 3.8390 7.9178 118.8849 58.1665 42.1861 179.0370 14 W 4.0566 8.5959 128.6261 60.3673 30.2740 177.7602 15 S 4.0060 7.9927 112.7673 61.2457 61.8568 176.0287 16 K 4.0558 7.6509 120.2214 58.3348 32.1405 178.4004 17 I 3.7943 7.4210 110.9185 60.1783 38.3517 177.4182 18 G 2.2133 7.2013 108.5737 47.6088 0.0000 175.6356 19 K 3.9238 7.6475 118.8703 58.6493 32.1279 178.2078 20 S 4.6793 7.7747 114.2338 58.2198 63.0030 175.5072 21 A 4.0840 7.8208 127.1216 55.6747 18.1104 180.3890 22 D 4.2980 8.0676 116.3594 57.5193 41.0294 178.6946 23 A 4.0365 7.9736 120.7910 55.1497 18.3427 179.5939 24 I 3.8066 8.2114 118.7696 64.4953 37.1728 178.9281 25 G 3.6400 8.4021 106.7602 47.6504 0.0000 175.2071 26 N 4.2918 8.1099 119.3626 56.4797 39.0328 176.3887 27 D 4.2827 8.0748 119.0770 57.4099 41.2708 178.1522 28 A 4.0427 8.3826 121.6015 55.2027 18.4722 179.6572 29 L 3.9962 8.4445 117.9990 57.9168 41.6564 179.9158 30 S 4.1511 8.3510 115.3907 61.6045 62.7083 176.9312 31 R 3.9434 8.1516 120.7199 59.3778 29.8299 178.6413 32 M 4.2707 8.4258 118.5324 58.9347 32.2928 178.3918 33 I 3.9012 7.8207 112.9127 63.5909 37.5764 178.4553 34 V 3.5360 7.6058 119.5036 66.0656 31.6096 177.9280 35 V 3.7449 8.0636 116.5628 64.2503 32.9165 175.5426 36 Y 4.9064 8.1008 115.6530 55.0371 38.1603 174.3739 37 P 4.9072 0.0000 0.0000 64.7251 31.7488 178.3094 38 Q 4.1717 8.1994 117.5130 58.8753 28.4587 177.8700 39 T 4.2590 8.4988 112.1653 63.9409 68.9186 176.1756 40 K 4.4618 8.2828 121.8806 58.7562 31.7999 178.8417 41 T 3.7915 7.6872 110.8904 64.8649 68.2836 175.3832 42 Y 4.1312 7.3482 117.0890 58.7583 38.1124 176.0619 43 F 4.2671 7.6485 118.9923 56.7948 39.6314 177.4739 44 S 4.2396 7.5474 116.9526 61.0964 62.6590 174.9616 45 H 4.5274 8.0998 114.8049 56.4030 28.9658 175.3721 46 W 4.7642 7.5136 120.7283 55.4422 29.7811 174.7178 47 P 4.4266 0.0000 0.0000 65.4686 30.8541 175.8606 48 D 4.8557 7.6375 115.2464 51.4945 42.4587 175.3369 49 V 4.4720 8.2001 118.3930 60.9041 32.0408 173.9023 50 T 4.7313 7.8563 114.4470 57.8841 71.8619 172.3068 51 P 4.3078 0.0000 0.0000 64.8248 31.2869 175.7839 52 G 4.0392 8.9203 109.8675 46.0720 0.0000 174.1567 53 S 4.3013 7.5927 113.6606 57.1266 64.8554 172.8833 54 P 4.1453 0.0000 0.0000 66.5297 31.0503 178.7024 55 H 3.5707 7.9211 114.0488 58.4555 28.3972 177.8838 56 I 3.7499 7.5674 121.7739 64.0085 37.0304 178.0219 57 K 3.8095 8.4060 120.7047 59.7906 32.0193 178.6274 58 A 3.9870 8.0458 120.7774 55.3877 18.2317 179.0903 59 H 4.4316 8.3445 117.0287 59.3582 29.9672 177.7130 60 G 3.6557 8.4597 108.0103 47.6397 0.0000 175.8598 61 K 4.0331 7.9495 120.4697 59.3391 32.0973 179.6526 62 K 4.0449 7.8486 118.3334 59.3393 31.9849 179.5979 63 V 3.5801 8.4186 118.9130 66.4653 31.5140 178.0851 64 M 4.3669 8.2508 118.1537 57.9406 31.7696 178.9170 65 G 4.0174 8.3351 106.3430 47.3521 0.0000 176.1378 66 G 3.6043 8.0528 108.2692 47.7658 0.0000 175.9927 67 I 3.6319 7.7553 121.9815 63.8714 37.0504 178.2496 68 A 3.4051 8.2461 122.1050 54.9043 18.1549 179.3085 69 L 3.8418 8.0026 118.5179 58.3860 41.9285 179.1107 70 A 3.9371 7.6959 119.3163 55.1225 18.3710 179.4265 71 V 3.5309 7.9025 116.9898 66.1724 31.3031 178.2799 72 S 4.1673 7.8882 111.8066 60.1910 62.3829 175.0852 73 K 4.5534 7.9350 120.7193 56.0971 32.5251 178.2243 74 I 3.8009 7.3652 122.5342 64.0583 37.9980 176.8136 75 D 4.5633 8.0211 118.1844 56.2341 41.3501 176.4595 76 D 4.7440 7.9721 117.1057 52.3872 43.1831 175.4076 77 L 3.9537 7.8764 123.7980 56.9004 41.8325 178.5366 78 K 3.8328 7.8736 118.5654 59.9558 32.3708 178.5522 79 T 4.1242 8.2935 116.0362 66.4460 68.1430 177.0538 80 G 3.6708 8.0560 106.7333 47.2430 0.0000 174.8665 81 L 4.5780 7.8550 119.8860 54.4809 42.0184 178.2267 82 M 3.9610 7.7020 121.7531 58.9020 32.1430 178.1302 83 E 4.2167 7.9849 119.4607 58.9808 29.7317 179.2198 84 L 4.0481 7.8393 118.4824 57.6569 41.6878 179.4013 85 S 4.2765 8.1777 115.0337 60.6815 61.9453 175.9134 86 E 3.0398 8.2588 121.6693 59.1984 29.2343 179.0772 87 Q 3.9403 7.9561 119.3212 59.6695 29.1325 178.2273 88 H 4.1266 8.2381 116.8947 58.4911 28.5181 177.7981 89 A 2.5800 7.7790 122.0283 54.7132 18.2712 178.5801 90 Y 4.5580 7.7272 113.0022 58.4724 38.8280 176.7599 91 K 4.3225 7.7864 118.8973 57.8686 33.5261 177.0168 92 L 4.0905 7.8237 116.8440 55.3287 42.5131 177.2002 93 R 3.6279 7.5561 116.2351 57.0084 27.9971 177.2039 94 V 3.1284 7.4481 115.9678 61.9328 32.4408 174.8407 95 D 4.3285 8.9274 127.8908 53.9355 41.6533 175.3084 96 P 3.5844 0.0000 0.0000 65.1673 31.3441 178.0822 97 A 3.9325 8.6298 120.2599 55.5517 18.1321 179.4047 98 N 4.3197 8.0368 114.6486 56.1017 38.4318 177.6772 99 F 4.4097 7.3230 119.4032 60.5426 38.9884 177.6881 100 K 3.9796 8.0987 117.6316 59.3966 31.9098 179.3694 101 I 3.3838 7.1534 118.9729 64.2041 37.0536 178.1684 102 L 3.9628 7.9336 121.1502 58.1146 41.9011 178.5872 103 N 4.3032 8.4975 116.8197 56.6981 38.5270 176.5716 104 H 4.1820 8.1308 119.2963 59.7568 29.8736 176.9559 105 C 4.1477 7.9749 118.0357 62.7899 27.8336 176.2030 106 I 3.7174 8.2000 121.7655 64.4052 36.6729 178.3714 107 L 3.7434 7.9544 119.7608 57.8503 41.4530 179.8574 108 V 3.4839 7.8472 118.1315 65.7191 31.3364 178.3607 109 V 3.5109 7.7875 118.0872 66.0916 31.4796 177.9850 110 I 3.7894 7.8048 119.8045 64.4439 36.6434 178.2528 111 S 4.0499 7.4877 113.1975 61.6154 62.2834 176.0762 112 T 3.9620 7.6546 111.2063 64.8593 68.5768 175.7805 113 M 3.9843 7.9886 119.9040 55.5271 33.7768 176.4466 114 F 5.0172 8.4696 117.4275 55.2681 39.7026 173.8537 115 P 4.3817 0.0000 0.0000 65.7886 31.7941 178.7071 116 K 4.2412 8.0469 117.1254 58.7513 32.4165 178.0464 117 E 4.1578 8.3146 117.4462 58.7989 30.0998 177.3637 118 F 4.5808 8.1759 123.0905 56.9970 37.9686 175.5055 119 T 4.1196 7.3076 115.1292 60.5203 71.2641 173.4205 120 P 4.1639 0.0000 0.0000 66.0930 31.2539 178.8488 121 E 3.8886 8.0400 116.4948 59.0778 29.4689 178.8951 122 A 3.9258 8.0246 121.0055 55.3963 18.3951 179.1865 123 H 3.8506 8.1636 117.2510 59.1892 29.7969 177.8513 124 V 3.6186 7.8925 121.1946 65.0595 31.2963 178.5923 125 S 4.2320 7.9038 115.6271 61.1287 62.6676 176.4459 126 L 4.1145 8.5321 123.5900 58.0586 41.8298 178.4662 127 D 4.4522 8.7552 118.6501 57.2428 41.1841 178.3122 128 K 3.9679 8.4173 119.2997 59.4869 32.0648 179.1107 129 F 4.1736 8.4543 120.9842 61.3750 39.2967 177.2886 130 L 3.8694 8.7890 118.8835 57.6561 41.3509 179.7058 131 S 4.1683 8.1957 115.6145 61.4174 62.7368 176.9074 132 G 3.4749 7.9728 108.5747 47.5275 0.0000 175.9627 133 V 3.2351 7.6697 120.7450 65.6163 31.5604 178.0174 134 A 3.4828 7.8848 120.6424 54.8537 17.9537 179.4224 135 L 3.8235 7.6700 117.7791 58.0485 42.4423 178.7077 136 A 4.0431 7.9113 120.8029 55.1565 18.3883 179.6685 137 L 3.8574 8.0494 117.5027 57.3073 41.5572 178.7174 138 A 4.3016 7.5950 118.7832 52.5557 18.3269 178.6254 139 E 3.9021 7.7879 118.4615 59.2624 29.8105 177.8016 140 R 4.4066 7.9496 114.5373 56.7617 30.1288 177.1094 141 Y 4.2475 8.2279 118.4793 60.4692 38.2941 175.8829 142 R 4.2653 7.8514 119.6896 56.6019 29.1759 174.5044 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 S 8.33 4.41 0.00 3.99 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 2 L 8.21 4.36 0.00 1.77 1.68 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.70 4.53 0.00 4.05 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 4 D 8.52 4.34 0.00 2.70 2.76 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 5 K 8.04 3.86 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 6 D 8.12 4.74 0.00 2.96 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 7 K 8.21 3.89 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 8 A 8.24 3.94 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 9 A 7.98 3.91 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 10 V 8.05 3.42 1.82 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 0.23 0.00 0.00 0.80 0.00 0.00 11 R 8.12 3.95 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 12 A 8.40 3.96 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 13 L 7.92 3.84 0.00 1.81 1.88 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.60 4.06 0.00 3.35 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 15 S 7.99 4.01 0.00 3.98 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 16 K 7.65 4.06 0.00 1.82 1.70 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.55 7.81 17 I 7.42 3.79 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 -0.28 0.00 0.00 18 G 7.20 2.21 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 0.00 0.00 0.00 19 K 7.65 3.92 0.00 1.61 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.44 7.81 20 S 7.77 4.68 0.00 4.13 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 21 A 7.82 4.08 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 0.00 0.00 22 D 8.07 4.30 0.00 2.72 2.74 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 0.00 0.00 0.00 0.00 23 A 7.97 4.04 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 24 I 8.21 3.81 2.11 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 1.59 0.97 1.01 0.00 0.00 25 G 8.40 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.29 0.00 2.85 2.98 0.00 0.00 6.86 8.34 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 27 D 8.07 4.28 0.00 2.94 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 28 A 8.38 4.04 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 29 L 8.44 4.00 0.00 1.81 1.75 1.08 0.81 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 30 S 8.35 4.15 0.00 4.07 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 31 R 8.15 3.94 0.00 2.09 2.07 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 32 M 8.43 4.27 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 33 I 7.82 3.90 1.91 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 1.67 0.56 0.85 0.00 0.00 34 V 7.61 3.54 2.19 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 0.81 0.00 0.00 0.99 0.00 0.00 35 V 8.06 3.74 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 0.24 0.00 0.00 0.89 0.00 0.00 36 Y 8.10 4.91 0.00 3.23 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.91 0.00 2.29 2.34 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 38 Q 8.20 4.17 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 39 T 8.50 4.26 4.50 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 1.44 0.00 0.00 40 K 8.28 4.46 0.00 2.09 1.99 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.54 7.81 41 T 7.69 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 1.13 0.00 0.00 42 Y 7.35 4.13 0.00 2.44 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 0.00 0.00 0.00 0.00 43 F 7.65 4.27 0.00 2.94 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.55 4.24 0.00 4.00 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 0.00 45 H 8.10 4.53 0.00 3.35 3.42 0.00 5.52 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 46 W 7.51 4.76 0.00 3.52 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 47 P 0.00 4.43 0.00 2.18 2.18 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 48 D 7.64 4.86 0.00 2.75 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 49 V 8.20 4.47 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 0.90 0.00 0.00 1.10 0.00 0.00 50 T 7.86 4.73 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 1.25 0.00 0.00 51 P 0.00 4.31 0.00 2.20 2.14 0.00 3.93 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 2.00 2.00 0.00 52 G 8.92 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 53 S 7.59 4.30 0.00 4.06 4.14 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 54 P 0.00 4.15 0.00 2.10 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 55 H 7.92 3.57 0.00 2.64 1.36 0.00 5.81 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 56 I 7.57 3.75 1.85 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 1.45 1.23 0.92 0.00 0.00 57 K 8.41 3.81 0.00 1.96 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 58 A 8.05 3.99 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 59 H 8.34 4.43 0.00 3.65 3.68 0.00 5.79 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 60 G 8.46 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 61 K 7.95 4.03 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.77 7.81 62 K 7.85 4.04 0.00 2.01 1.92 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.63 7.81 63 V 8.42 3.58 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 1.07 0.00 0.00 0.85 0.00 0.00 64 M 8.25 4.37 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.89 0.00 65 G 8.34 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.05 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 67 I 7.76 3.63 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.51 0.00 0.00 68 A 8.25 3.41 1.58 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 69 L 8.00 3.84 0.00 1.85 1.87 0.91 0.93 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 70 A 7.70 3.94 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 71 V 7.90 3.53 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 0.78 0.00 0.00 0.11 0.00 0.00 72 S 7.89 4.17 0.00 3.93 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 73 K 7.93 4.55 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.54 7.81 74 I 7.37 3.80 2.17 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.96 0.00 0.00 75 D 8.02 4.56 0.00 2.71 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 76 D 7.97 4.74 0.00 2.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.88 3.95 0.00 1.63 1.56 0.76 0.79 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 78 K 7.87 3.83 0.00 1.70 1.96 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 79 T 8.29 4.12 4.29 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 1.20 0.00 0.00 80 G 8.06 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 81 L 7.85 4.58 0.00 1.63 1.55 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.70 3.96 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.98 0.00 83 E 7.98 4.22 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 84 L 7.84 4.05 0.00 1.79 1.69 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.18 4.28 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 86 E 8.26 3.04 0.00 2.09 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 2.32 2.26 0.00 87 Q 7.96 3.94 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 88 H 8.24 4.13 0.00 3.46 3.65 0.00 5.87 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 89 A 7.78 2.58 0.58 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 90 Y 7.73 4.56 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.79 4.32 0.00 1.68 1.99 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.45 7.81 92 L 7.82 4.09 0.00 1.71 1.56 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.56 3.63 0.00 1.99 1.98 0.00 3.34 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 94 V 7.45 3.13 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 -0.12 0.00 0.00 0.47 0.00 0.00 95 D 8.93 4.33 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 3.58 0.00 2.03 2.02 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.38 0.00 97 A 8.63 3.93 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 98 N 8.04 4.32 0.00 2.36 2.70 0.00 0.00 6.98 7.69 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 99 F 7.32 4.41 0.00 3.10 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 0.00 100 K 8.10 3.98 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 101 I 7.15 3.38 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.05 -0.08 0.00 0.00 102 L 7.93 3.96 0.00 1.81 1.73 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.50 4.30 0.00 2.98 2.90 0.00 0.00 6.64 7.98 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 0.00 104 H 8.13 4.18 0.00 3.30 3.51 0.00 5.79 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 0.00 105 C 7.97 4.15 0.00 3.25 3.12 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 0.00 106 I 8.20 3.72 2.07 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 1.58 0.84 0.98 0.00 0.00 107 L 7.95 3.74 0.00 1.85 1.72 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.85 3.48 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 0.97 0.00 0.00 0.83 0.00 0.00 109 V 7.79 3.51 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 1.17 0.00 0.00 0.97 0.00 0.00 110 I 7.80 3.79 1.36 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 1.48 0.49 0.70 0.00 0.00 111 S 7.49 4.05 0.00 3.81 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 0.00 112 T 7.65 3.96 4.19 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 1.22 0.00 0.00 113 M 7.99 3.98 0.00 1.20 1.80 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 114 F 8.47 5.02 0.00 3.11 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 0.00 115 P 0.00 4.38 0.00 2.22 2.22 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 116 K 8.05 4.24 0.00 1.83 1.95 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 E 8.31 4.16 0.00 2.08 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 2.32 2.40 0.00 118 F 8.18 4.58 0.00 3.08 3.12 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 0.00 119 T 7.31 4.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 120 P 0.00 4.16 0.00 2.12 2.10 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 121 E 8.04 3.89 0.00 2.00 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 2.37 2.39 0.00 122 A 8.02 3.93 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 0.00 123 H 8.16 3.85 0.00 2.08 3.16 0.00 5.61 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 0.00 124 V 7.89 3.62 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 0.84 0.00 0.00 0.91 0.00 0.00 125 S 7.90 4.23 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.53 4.11 0.00 1.94 1.88 0.97 1.39 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 0.00 127 D 8.76 4.45 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.42 3.97 0.00 2.06 1.89 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 129 F 8.45 4.17 0.00 3.05 3.26 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 0.00 130 L 8.79 3.87 0.00 1.72 1.83 1.03 0.96 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 0.00 131 S 8.20 4.17 0.00 3.99 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 0.00 132 G 7.97 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.67 3.24 1.77 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 0.71 0.00 0.00 -0.11 0.00 0.00 134 A 7.88 3.48 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 0.00 135 L 7.67 3.82 0.00 1.72 1.74 0.87 0.82 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 0.00 136 A 7.91 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 0.00 137 L 8.05 3.86 0.00 1.03 1.29 0.10 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.59 4.30 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 0.00 139 E 7.79 3.90 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 140 R 7.95 4.41 0.00 1.52 1.71 0.00 3.41 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 141 Y 8.23 4.25 0.00 3.05 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 0.00 142 R 7.85 4.27 0.00 1.93 1.93 0.00 3.10 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00