NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0885 8.0549 120.3926 62.6509 32.6520 174.9013 2 L 4.2740 8.3086 126.9712 51.9491 43.0516 175.5735 3 S 4.5736 8.9838 117.4409 57.5527 66.4378 174.7522 4 E 4.2741 8.8411 122.8053 59.6147 29.2092 179.1492 5 G 3.6569 8.1239 105.2148 47.9053 0.0000 175.3871 6 E 3.9414 7.9858 120.4137 58.9247 29.3977 179.4134 7 W 4.3396 8.1540 119.0572 59.8805 29.0847 178.5622 8 Q 4.1605 8.5362 118.2199 59.0035 27.8644 178.8940 9 L 4.1045 7.8233 120.2680 57.5818 41.6193 179.7634 10 V 3.7680 7.8627 118.0755 66.2419 31.6285 178.2708 11 L 4.2877 8.5949 118.9773 57.7102 39.9554 179.0411 12 H 4.2708 8.4762 118.9943 59.2731 29.9910 177.6636 13 V 3.9233 7.7806 120.7177 64.2277 31.4665 178.1728 14 W 3.9541 8.4946 129.0055 60.0899 30.2763 177.7512 15 A 4.0259 7.9698 120.2460 54.9641 18.0084 179.4554 16 K 3.9545 7.2822 117.0257 59.3634 32.1434 179.6558 17 V 2.8753 7.0233 118.0831 65.6954 31.0633 177.6140 18 E 3.9092 7.5246 116.0262 58.0498 29.2966 178.4168 19 A 4.2165 7.5114 120.4986 53.6243 20.2256 177.6601 20 D 4.7133 7.9206 116.7211 51.9864 42.8150 175.6632 21 V 3.5159 7.9364 124.3524 64.6365 31.8416 178.3156 22 A 4.0681 8.0242 121.3936 54.6029 18.4113 179.6909 23 G 3.8560 8.2439 105.5726 47.8714 0.0000 175.7513 24 H 4.2157 8.3540 119.0245 58.2064 28.6355 178.1060 25 G 3.7556 8.3693 107.8759 47.9515 0.0000 175.7085 26 Q 4.0145 8.0739 120.7470 58.7587 28.8014 178.5675 27 D 4.3253 7.8764 119.3487 57.4808 40.8864 179.1192 28 I 3.5594 7.6995 119.9979 64.3034 37.0711 178.6926 29 W 3.5350 8.0450 119.6977 59.4471 28.7929 178.8193 30 I 3.7854 8.0065 120.1514 64.1071 36.4425 178.3779 31 R 3.7968 7.9332 119.6876 59.1793 29.8205 178.2922 32 L 3.8065 7.6211 119.9677 58.3569 41.7927 179.0914 33 F 4.6187 8.0739 117.6933 60.4115 38.5185 177.9332 34 K 4.0490 8.0157 117.6784 59.5132 32.0607 179.2815 35 S 4.2609 8.0373 114.3650 60.2831 64.2762 174.5267 36 H 4.8489 8.1939 117.7890 50.7202 29.3599 171.7565 37 P 4.5099 0.0000 0.0000 64.6878 31.6153 177.6247 38 E 4.1352 8.2852 116.2025 59.5552 29.4316 179.1366 39 T 4.0056 8.2246 110.8467 64.4785 68.7433 176.1829 40 L 3.9124 8.0630 122.8077 57.9301 41.7700 178.6112 41 E 4.1677 8.1309 117.5431 58.7623 29.4412 178.5701 42 K 4.4907 8.2333 116.9113 56.4527 32.7130 176.7081 43 F 4.5940 8.2306 119.1620 55.4999 39.1262 175.9675 44 D 4.4356 8.5374 125.9889 56.0690 40.8156 177.5836 45 R 4.1721 7.6080 117.6184 56.5240 30.7142 176.1617 46 F 5.1379 7.5913 113.8052 57.1085 40.9537 176.5668 47 K 3.9892 8.3306 120.2528 59.1162 32.2370 177.3883 48 H 4.5402 8.1467 113.8648 56.6096 29.3223 175.5273 49 L 4.0416 7.6878 121.4629 55.0459 41.5872 176.8338 50 K 4.3020 9.6302 123.9671 57.2896 33.4418 177.0333 51 T 4.7292 7.4417 107.5370 58.9803 73.1140 174.3046 52 E 3.9409 8.6219 120.8967 59.2214 29.4793 178.5547 53 A 3.9742 7.9329 120.5464 55.2555 18.2778 179.3321 54 E 3.9440 7.8336 115.6998 59.5862 29.7032 179.1812 55 M 4.1357 7.8887 118.8790 58.3027 31.8520 178.7588 56 K 3.9958 8.2576 118.4490 58.7001 32.4431 177.8221 57 A 4.4846 7.3743 119.0775 51.4849 19.2400 176.9596 58 S 4.2275 7.3628 113.6931 57.5294 62.8738 174.4429 59 E 3.9870 8.9050 129.1696 59.4723 29.4936 178.2744 60 D 4.4877 8.1430 118.6215 57.2653 40.9338 178.3374 61 L 3.4282 7.9115 120.8335 57.5787 42.0993 178.8819 62 K 3.8825 7.8116 119.4916 59.4674 32.1517 178.9746 63 K 4.0214 8.1241 118.7966 59.6471 31.8742 178.8320 64 H 4.2632 8.4216 118.7353 59.1704 29.7330 177.4821 65 G 3.6864 8.1050 107.6289 47.8262 0.0000 175.8246 66 V 3.6351 7.7177 120.1503 66.0153 31.7127 178.1633 67 T 3.8964 7.9207 115.5040 66.6615 68.3169 176.7382 68 V 3.7087 8.0207 120.0724 66.2524 31.6211 178.1902 69 L 4.2941 8.3289 118.7332 58.0459 41.4464 179.7188 70 T 4.0168 8.3371 115.9045 66.4972 68.4267 176.6713 71 A 4.0273 8.0445 122.4845 55.0212 18.3546 179.4848 72 L 3.7608 8.2294 119.1124 58.0686 42.1622 179.3746 73 G 3.2971 8.5392 105.8756 47.6428 0.0000 175.4919 74 A 4.0115 7.7192 122.0901 54.8495 18.6536 179.5893 75 I 3.7664 7.4633 117.7599 64.5908 37.2511 178.6204 76 L 3.9600 7.7349 119.8731 57.7311 41.1856 179.5881 77 K 4.0190 7.7152 116.6588 58.2670 32.2710 178.6610 78 K 3.9861 7.8214 118.3637 55.9212 32.4617 176.6569 79 K 2.0000 8.2234 118.0755 56.4821 29.8780 175.7804 80 G 3.9743 8.0199 106.3940 45.7235 0.0000 174.3049 81 H 4.7942 7.2964 119.1452 55.1235 27.4481 174.7523 82 H 5.3892 7.1972 111.2133 54.6290 29.5792 176.6089 83 E 3.9816 8.6113 121.1188 60.4318 28.9678 179.0647 84 A 4.0364 7.9433 118.3121 55.3606 18.1525 179.0868 85 E 4.1104 8.1621 116.5694 59.4226 29.6393 179.3181 86 L 4.2411 8.2355 119.1178 57.1781 41.6848 179.2848 87 K 3.9082 7.8362 119.1110 59.2397 32.1725 177.5174 88 P 4.3495 0.0000 0.0000 65.6067 31.2940 178.1802 89 L 4.0571 7.5511 116.9347 57.9676 42.0338 178.7611 90 A 4.2139 8.6354 121.2388 55.1390 18.3154 179.3979 91 Q 3.8946 8.2784 118.3398 59.4147 29.1475 178.6908 92 S 4.0372 8.0577 115.1774 61.8125 63.0399 176.0102 93 H 4.2486 8.5794 119.1523 57.6285 28.2848 177.2404 94 A 3.0324 7.6848 121.8516 53.8521 19.0150 178.8094 95 T 3.9550 7.5711 112.6859 64.7365 69.2117 176.0116 96 K 4.1102 7.4480 119.7753 58.6258 33.0042 177.1513 97 H 4.2790 7.8619 114.4086 56.2218 29.4626 175.5951 98 K 3.1220 7.4957 117.1259 56.9967 28.5923 175.2740 99 I 4.3421 8.1607 118.9659 58.6963 38.3412 174.9793 100 P 4.6116 0.0000 0.0000 62.3190 32.0980 177.4542 101 I 3.6557 8.3337 120.5502 64.5140 36.8809 178.4132 102 K 3.6363 7.9430 119.9651 59.8063 31.8932 178.2177 103 Y 4.2430 7.9632 116.6936 60.7236 37.8619 178.0705 104 L 4.2334 7.8289 119.6843 57.4431 41.9394 179.0612 105 E 4.0162 8.0191 118.9588 59.3011 29.4705 179.2335 106 F 4.5207 7.8168 117.9230 60.7872 38.9364 177.6214 107 I 3.6612 7.9690 118.0589 63.7827 37.6902 178.1238 108 S 4.1355 8.0166 116.0408 61.3973 62.6308 176.1235 109 E 3.9770 8.2459 121.5495 59.2501 29.4227 178.7594 110 A 3.9717 7.8652 120.6334 55.0796 18.4025 179.7203 111 I 3.6207 7.9358 118.4371 64.6647 37.2474 178.7523 112 I 3.8409 7.8509 120.6620 64.6173 36.9209 178.0406 113 H 4.1542 8.3605 119.1826 59.2356 29.6273 177.5946 114 V 3.5798 7.8812 120.1238 65.9320 31.2910 178.0516 115 L 3.7567 7.8249 118.8117 57.8514 41.0480 178.9672 116 H 4.3707 7.8708 117.3679 59.3520 29.8750 177.3105 117 S 4.1969 7.7871 116.1431 61.4538 62.8429 176.3163 118 R 4.1298 7.9313 118.9803 57.2991 31.1936 176.3122 119 H 5.0376 8.2701 116.2422 53.7257 29.7081 173.0293 120 P 4.3041 0.0000 0.0000 65.9645 31.4507 179.0849 121 G 3.6530 8.1253 106.2461 47.3934 0.0000 173.6220 122 N 5.0338 8.1863 115.2641 52.9445 39.7929 174.7166 123 F 4.9369 7.8315 119.0705 56.3204 39.4983 174.1388 124 G 3.9124 7.5748 109.4664 43.7728 0.0000 171.6369 125 A 3.8799 8.4207 120.6533 55.4437 18.2829 179.6977 126 D 4.2040 7.9558 116.4830 57.4683 40.9719 178.7464 127 A 3.9475 7.7613 120.7843 55.1096 18.3287 179.3208 128 Q 3.1766 7.8147 118.3694 58.8034 29.0157 178.6379 129 G 3.4704 7.9965 106.7061 47.5710 0.0000 175.6263 130 A 3.8579 7.9229 123.1912 55.0593 18.3638 179.4285 131 M 3.9710 8.1544 116.8242 58.7209 32.2667 177.8924 132 N 4.2902 8.4603 117.5921 56.5345 39.1098 176.7345 133 K 3.8196 8.0694 120.7539 59.4638 32.3186 178.6405 134 A 3.8315 8.0434 121.2319 55.1449 18.1986 179.6407 135 L 4.1250 8.2085 117.5821 57.7709 41.6093 179.5411 136 E 3.9741 8.5082 119.0554 59.0783 29.3621 178.9834 137 L 3.9439 8.0887 120.4777 58.0805 42.2118 178.6695 138 F 4.1730 8.2002 120.4188 61.6546 39.3558 177.3525 139 R 3.4966 8.2104 117.6106 58.8564 29.8448 179.0426 140 K 3.8660 8.3093 119.8911 59.6070 32.2587 178.7287 141 D 4.3552 8.1721 119.2173 57.2386 40.6611 178.8460 142 I 3.4949 7.4745 120.2783 63.9527 37.0541 178.2601 143 A 3.6743 7.7697 121.5001 54.9458 18.2230 179.5540 144 A 3.9473 7.8358 119.1467 55.2322 18.4643 180.0809 145 K 4.0043 8.0066 116.9530 59.6768 32.0541 178.9871 146 Y 4.4343 8.4497 117.5690 61.1786 37.8394 178.8014 147 K 3.9296 8.0766 119.9501 59.7905 32.1364 178.6665 148 E 4.0421 7.8735 116.7855 59.1494 29.4580 178.6043 149 L 4.3782 7.8844 116.6303 55.0610 41.9873 177.6894 150 G 3.9284 8.0452 107.4968 45.2257 0.0000 172.2565 151 Y 4.7598 7.7581 120.3045 55.1588 40.5665 175.5585 152 Q 3.7857 8.3676 128.6127 57.4216 29.5662 175.9536 153 G 3.7534 6.0351 109.8167 45.5580 0.0000 172.8434 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 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.31 4.27 0.00 1.04 0.83 0.61 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.98 4.57 0.00 4.03 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 4 E 8.84 4.27 0.00 2.19 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 2.52 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 7.99 3.94 0.00 1.91 1.73 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 2.22 2.25 0.00 7 W 8.15 4.34 0.00 3.59 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 8 Q 8.54 4.16 0.00 2.31 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 2.71 2.60 0.00 9 L 7.82 4.10 0.00 1.82 1.75 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.86 3.77 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 1.18 0.00 0.00 0.94 0.00 0.00 11 L 8.59 4.29 0.00 1.80 1.83 0.96 1.10 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 12 H 8.48 4.27 0.00 3.48 3.56 0.00 5.77 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 3.92 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.49 3.95 0.00 3.67 3.30 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 15 A 7.97 4.03 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 7.28 3.95 0.00 1.64 1.64 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 V 7.02 2.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.44 0.00 0.00 18 E 7.52 3.91 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 2.19 2.16 0.00 19 A 7.51 4.22 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 7.92 4.71 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.94 3.52 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 0.75 0.00 0.00 0.94 0.00 0.00 22 A 8.02 4.07 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 23 G 8.24 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 24 H 8.35 4.22 0.00 3.27 3.26 0.00 5.83 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 8.37 3.76 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 0.00 0.00 0.00 26 Q 8.07 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 27 D 7.88 4.33 0.00 2.79 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 7.70 3.56 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.52 0.00 0.00 29 W 8.04 3.54 0.00 3.22 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 30 I 8.01 3.79 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.92 0.00 0.00 31 R 7.93 3.80 0.00 1.92 2.03 0.00 3.00 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 32 L 7.62 3.81 0.00 1.42 1.31 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.07 4.62 0.00 3.11 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 34 K 8.02 4.05 0.00 1.92 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.59 1.62 7.81 35 S 8.04 4.26 0.00 3.67 3.56 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 36 H 8.19 4.85 0.00 3.02 2.96 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 4.51 0.00 2.17 2.14 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 38 E 8.29 4.14 0.00 2.33 2.32 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 2.34 2.55 0.00 39 T 8.22 4.01 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 40 L 8.06 3.91 0.00 1.60 1.78 -0.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.13 4.17 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 42 K 8.23 4.49 0.00 1.63 1.74 0.00 1.82 0.00 0.00 2.02 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.97 2.00 7.81 43 F 8.23 4.59 0.00 3.19 2.86 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 44 D 8.54 4.44 0.00 2.61 2.69 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 R 7.61 4.17 0.00 1.47 1.15 0.00 3.05 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.43 0.00 46 F 7.59 5.14 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.33 3.99 0.00 1.89 2.10 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.43 7.81 48 H 8.15 4.54 0.00 3.30 3.45 0.00 5.53 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 7.69 4.04 0.00 1.57 1.57 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.63 4.30 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.56 7.81 51 T 7.44 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 8.62 3.94 0.00 2.05 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 2.37 2.38 0.00 53 A 7.93 3.97 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 7.83 3.94 0.00 2.02 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 7.89 4.14 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 56 K 8.26 4.00 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 57 A 7.37 4.48 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 58 S 7.36 4.23 0.00 3.83 3.83 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 59 E 8.91 3.99 0.00 2.13 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 2.39 2.48 0.00 60 D 8.14 4.49 0.00 3.03 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 7.91 3.43 0.00 1.07 1.54 0.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.88 0.00 1.80 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 K 8.12 4.02 0.00 2.07 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.76 7.81 64 H 8.42 4.26 0.00 3.36 3.30 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 65 G 8.11 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 0.00 0.00 0.00 66 V 7.72 3.64 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 0.98 0.00 0.00 67 T 7.92 3.90 4.42 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 1.28 0.00 0.00 68 V 8.02 3.71 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 1.37 0.00 0.00 1.09 0.00 0.00 69 L 8.33 4.29 0.00 1.85 1.91 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.34 4.02 4.31 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 1.27 0.00 0.00 71 A 8.04 4.03 1.44 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 0.00 0.00 72 L 8.23 3.76 0.00 1.66 1.80 0.31 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 3.30 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 74 A 7.72 4.01 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 75 I 7.46 3.77 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.88 0.00 0.00 76 L 7.73 3.96 0.00 1.34 1.55 -0.09 0.81 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 7.72 4.02 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.54 7.81 78 K 7.82 3.99 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.75 7.81 79 K 8.22 2.00 0.00 1.32 0.74 0.00 1.41 0.00 0.00 1.37 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.47 0.86 7.81 80 G 8.02 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 0.00 0.00 0.00 81 H 7.30 4.79 0.00 3.20 3.21 0.00 5.62 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 7.20 5.39 0.00 3.30 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.98 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 84 A 7.94 4.04 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 85 E 8.16 4.11 0.00 2.26 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 2.41 2.48 0.00 86 L 8.24 4.24 0.00 1.89 1.73 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.91 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.72 7.81 88 P 0.00 4.35 0.00 2.31 2.34 0.00 3.85 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 2.24 2.06 0.00 89 L 7.55 4.06 0.00 1.91 1.95 1.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.64 4.21 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 91 Q 8.28 3.89 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.06 4.04 0.00 4.05 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 93 H 8.58 4.25 0.00 3.62 3.65 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 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.57 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 1.11 0.00 0.00 96 K 7.45 4.11 0.00 1.54 1.66 0.00 1.67 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.33 7.81 97 H 7.86 4.28 0.00 3.07 3.17 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 7.50 3.12 0.00 1.78 1.70 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.97 1.23 7.81 99 I 8.16 4.34 2.16 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 1.46 1.05 1.21 0.00 0.00 100 P 0.00 4.61 0.00 2.00 2.02 0.00 3.31 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 1.05 1.16 0.00 101 I 8.33 3.66 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.80 0.00 0.00 102 K 7.94 3.64 0.00 1.67 1.65 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.46 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.64 1.22 7.81 103 Y 7.96 4.24 0.00 3.27 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 0.00 104 L 7.83 4.23 0.00 1.84 1.78 0.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.02 4.02 0.00 2.03 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 2.30 2.42 0.00 106 F 7.82 4.52 0.00 3.16 2.81 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 0.00 107 I 7.97 3.66 1.71 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.98 0.00 0.00 108 S 8.02 4.14 0.00 4.18 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 0.00 109 E 8.25 3.98 0.00 2.17 2.26 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 2.34 2.38 0.00 110 A 7.87 3.97 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 0.00 111 I 7.94 3.62 2.05 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 1.51 0.94 0.99 0.00 0.00 112 I 7.85 3.84 1.98 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 1.69 1.12 1.12 0.00 0.00 113 H 8.36 4.15 0.00 3.31 3.42 0.00 5.59 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 0.00 114 V 7.88 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 115 L 7.82 3.76 0.00 0.55 0.54 0.75 0.65 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 0.00 116 H 7.87 4.37 0.00 3.54 3.56 0.00 5.75 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 7.79 4.20 0.00 3.96 3.84 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 0.00 118 R 7.93 4.13 0.00 1.59 1.62 0.00 3.11 0.00 0.00 2.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.27 5.04 0.00 3.18 3.18 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 2.20 2.26 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.19 5.03 0.00 2.77 2.88 0.00 0.00 6.66 6.74 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 0.00 123 F 7.83 4.94 0.00 2.95 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 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.42 3.88 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 0.00 126 D 7.96 4.20 0.00 2.65 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 0.00 127 A 7.76 3.95 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 7.81 3.18 0.00 1.31 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 2.23 0.00 129 G 8.00 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 0.00 130 A 7.92 3.86 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 0.00 131 M 8.15 3.97 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 N 8.46 4.29 0.00 2.92 2.93 0.00 0.00 6.86 7.67 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 0.00 133 K 8.07 3.82 0.00 1.95 1.73 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.36 7.81 134 A 8.04 3.83 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 0.00 135 L 8.21 4.12 0.00 1.88 1.80 0.97 0.72 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 0.00 136 E 8.51 3.97 0.00 2.13 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 2.33 2.56 0.00 137 L 8.09 3.94 0.00 1.87 1.96 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.20 4.17 0.00 3.13 3.25 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 0.00 139 R 8.21 3.50 0.00 1.96 1.83 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 140 K 8.31 3.87 0.00 1.83 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.17 4.36 0.00 2.70 2.69 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 0.00 142 I 7.47 3.49 1.19 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.25 0.14 0.00 0.00 143 A 7.77 3.67 1.26 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 0.00 144 A 7.84 3.95 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 0.00 145 K 8.01 4.00 0.00 2.11 1.96 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.57 7.81 146 Y 8.45 4.43 0.00 3.16 3.22 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 0.00 147 K 8.08 3.93 0.00 1.88 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.87 4.04 0.00 2.20 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 2.36 2.49 0.00 149 L 7.88 4.38 0.00 1.82 1.72 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.05 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 0.00 151 Y 7.76 4.76 0.00 2.59 2.58 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 0.00 152 Q 8.37 3.79 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 153 G 6.04 3.75 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 0.00 0.00 0.00