NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5235 8.2893 120.3280 55.2207 33.4414 174.3449 2 V 4.5159 8.0598 120.5198 58.9924 34.9175 172.8764 3 K 4.5039 9.5098 126.4332 55.1803 33.9464 176.2582 4 L 5.1566 8.5744 126.9129 53.3348 44.5900 175.4708 5 M 4.9680 8.7346 119.9547 54.0176 36.2698 173.7691 6 I 5.0882 8.4400 124.1108 59.6551 40.5188 174.8630 7 I 4.7735 8.4156 126.3518 59.5848 41.3844 174.0849 8 E 4.9273 8.8730 123.9017 54.8337 31.6841 175.6523 9 G 4.2369 8.6704 109.0698 44.5158 0.0000 170.7623 10 E 5.0957 8.5194 122.8130 53.7291 32.5308 175.3125 11 V 3.6162 8.5145 126.6340 63.4712 32.3613 175.2524 12 V 4.8402 8.2876 120.6037 59.3972 35.4851 175.2122 13 S 4.3686 8.5942 117.4135 57.5889 63.0693 174.0086 14 G 3.9474 8.3709 111.7057 45.2643 0.0000 171.2719 15 L 4.6761 8.3032 125.3278 56.4358 49.0341 177.6008 16 G 3.5872 8.0959 106.0361 48.3394 0.0000 174.2117 17 E 3.9946 8.3211 120.1098 58.2083 29.9245 176.9015 18 G 4.0766 7.6480 107.8321 44.0264 0.0000 173.3732 19 R 4.3324 8.5251 122.8950 54.7596 31.8452 173.8187 20 Y 4.7460 7.4428 119.2921 55.9411 40.8626 173.8153 21 F 4.6229 8.4667 118.3491 55.6854 40.6967 175.7203 22 L 4.5747 8.1192 123.0859 55.8844 43.5797 179.0448 23 S 4.4092 8.1718 113.6817 61.2626 62.6984 175.5327 24 L 4.2723 7.5490 120.2772 53.7144 43.4201 176.2356 25 P 4.1068 0.0000 0.0000 65.4248 31.4852 177.3893 26 P 4.1670 0.0000 0.0000 65.2205 30.9162 178.0164 27 Y 3.9375 7.1121 116.0063 60.9561 37.9625 178.3505 28 K 4.2671 7.7384 119.8358 59.3720 31.7403 179.4119 29 E 3.9069 7.9919 118.6152 59.4961 29.4329 179.2721 30 I 3.5325 7.4115 118.4868 63.8270 37.8430 177.9761 31 F 4.2532 7.9587 118.7613 60.5055 38.7209 177.6297 32 K 4.4084 8.1796 120.5302 58.6673 31.6875 178.8456 33 K 3.9147 7.7193 119.4333 59.3857 32.1857 178.5419 34 I 3.9403 7.4209 118.6396 63.4675 37.2836 177.3874 35 L 4.3921 8.0567 118.1673 53.7854 42.5268 177.8566 36 G 3.9606 9.3935 106.2845 45.1123 0.0000 172.5448 37 F 4.8868 6.9001 112.8957 55.4527 40.6488 172.9509 38 E 4.6663 8.7978 121.4978 54.1476 29.6197 174.8746 39 P 4.7157 0.0000 0.0000 62.4453 32.1064 175.4834 40 Y 4.2417 8.1564 120.8587 57.3243 39.4076 176.4286 41 E 4.1274 6.9183 123.6647 53.6597 27.6697 175.9186 42 G 4.0881 7.3267 110.6425 45.3696 0.0000 169.6287 43 T 4.9128 8.2975 108.2107 59.8166 72.4652 173.1280 44 L 4.5766 8.8481 125.1480 53.6310 44.2772 174.6703 45 N 5.2984 8.6679 124.3604 51.7865 40.6964 173.9713 46 L 5.1842 8.4482 123.5505 52.6965 45.4790 175.3955 47 K 4.7696 8.5444 124.3557 55.2539 33.7815 175.3815 48 L 5.0881 8.5603 126.9520 52.7499 44.5583 175.9068 49 D 4.8806 8.5820 119.0409 53.3439 39.6810 176.3745 50 R 4.7255 7.5168 117.4201 54.4875 34.1488 174.6258 51 E 4.4847 8.7471 119.8491 56.7258 30.4201 175.8601 52 F 4.8839 8.7448 122.7748 56.5874 42.8545 173.5650 53 D 4.8647 8.0157 123.8764 52.5103 44.0268 175.9380 54 I 4.0215 8.8600 126.1427 63.9717 38.2697 176.6426 55 N 4.9777 8.0739 115.1409 54.3600 38.4642 175.5401 56 K 4.0253 7.8694 117.6270 56.8522 32.6025 176.0710 57 F 4.7744 7.8361 116.2630 55.2430 41.7944 175.0419 58 K 4.2896 8.7070 121.4173 55.8799 31.1343 175.8250 59 Y 4.9155 8.0266 122.0405 55.3002 41.3251 174.5279 60 I 4.4480 8.6549 119.5981 59.5445 39.5792 174.7770 61 E 5.3248 8.8267 127.6600 54.7080 31.7403 174.7599 62 T 4.8109 8.5290 116.1015 59.6848 71.6046 173.7749 63 E 4.4402 8.8069 123.3176 55.5846 31.3371 175.7981 64 D 4.7465 8.6331 120.0778 54.5440 41.6387 175.9498 65 F 5.1563 8.1802 116.7226 55.4450 42.1292 172.9571 66 E 5.4939 8.9470 117.4043 54.8374 33.1255 175.6502 67 F 4.6942 9.3253 123.5036 58.2149 42.6558 174.1517 68 N 4.0331 9.1651 123.7692 54.3241 36.0568 174.9705 69 G 3.9263 8.5234 102.4869 45.7068 0.0000 174.0284 70 K 4.5421 8.1484 118.4702 54.1447 35.0336 175.2316 71 R 4.6518 7.9969 121.3562 55.0636 31.3194 175.8087 72 F 4.4586 8.2828 121.4991 55.3993 42.5480 174.7227 73 F 4.5836 8.7883 120.4685 56.5321 40.4814 175.9323 74 G 4.0863 9.3321 108.9341 46.8338 0.0000 172.8495 75 V 5.1325 8.4720 112.8956 59.5283 37.0239 174.4276 76 K 5.2180 8.8335 121.3424 54.7792 35.2357 175.6431 77 V 4.9375 8.7966 123.2141 61.1266 35.5936 173.8871 78 L 5.1771 8.5440 127.7989 52.6525 45.2069 173.9743 79 P 4.9481 0.0000 0.0000 62.9404 32.4643 175.2298 80 I 4.7744 8.7472 115.0017 59.5809 42.0795 173.5145 81 K 4.8800 8.5895 120.8741 54.6541 34.9450 175.4828 82 I 4.5445 8.4642 125.6600 59.5916 39.5172 174.4835 83 L 4.9204 8.6148 127.5091 53.0975 43.9237 175.6387 84 I 4.4756 8.0378 124.9260 59.1133 40.6149 175.9979 85 G 3.8545 9.0867 117.1624 47.3059 0.0000 173.6687 86 N 4.9651 9.2129 119.5274 52.2766 39.0681 173.8165 87 K 4.7686 8.1754 118.4200 54.2217 35.0736 175.0177 88 K 5.1487 8.5709 120.7363 55.2331 35.0166 175.3393 89 I 4.7126 8.3400 123.9467 59.2177 41.1900 174.5715 90 D 4.8267 8.6977 125.3261 54.7572 41.7590 176.0128 91 G 4.3088 8.7155 108.1889 46.2065 0.0000 170.7695 92 A 5.1608 8.5144 118.4131 51.1300 23.1555 175.7933 93 I 4.7627 8.4564 120.4781 59.5190 40.0185 175.0589 94 V 4.6553 8.1249 125.0404 61.1415 34.0935 174.9812 95 V 4.5068 8.4073 125.9802 60.4266 35.6380 172.6705 96 P 4.6282 0.0000 0.0000 62.6903 32.0072 177.1297 97 K 3.8214 8.4714 123.2278 59.0346 32.8973 177.1294 98 K 4.1303 7.2762 119.9154 55.4154 32.3066 175.8220 99 T 4.5041 7.8885 122.2864 62.1420 72.0406 173.0327 100 Y 4.2862 8.7067 123.2379 59.7838 38.9117 175.1020 101 H 5.0703 7.9055 112.4223 54.2293 32.9201 172.4781 102 S 4.8398 8.4682 115.4934 57.6774 64.6171 173.5775 103 S 4.7971 8.2420 117.6627 56.8791 68.0375 173.6840 104 E 4.9520 8.6130 116.6771 56.4780 30.6429 175.5645 105 I 5.0270 7.8888 120.1045 59.3965 40.1923 175.0403 106 I 4.5244 8.3183 119.4475 58.9545 41.0644 174.0413 107 E 5.0846 8.5756 123.1771 54.7290 32.3094 174.9292 108 I 5.0154 8.5973 124.6705 59.4013 41.0129 174.5991 109 I 4.9179 8.5773 117.6047 59.3681 40.8654 174.0900 110 A 5.0167 8.1993 123.3765 49.8390 22.5628 175.4095 111 P 4.0859 0.0000 0.0000 65.2805 31.4828 176.6131 112 M 4.5316 7.3112 112.6084 52.0210 34.2668 175.0064 113 K 3.9116 7.7544 119.3948 56.1270 32.5057 176.9736 114 L 4.1970 8.4334 128.4432 57.9753 41.6206 179.6425 115 R 3.9852 7.9269 117.6367 58.9501 30.0857 178.5751 116 E 3.9168 7.9962 118.6610 59.4129 29.6753 178.6021 117 Q 3.9322 7.7261 116.7294 58.0215 28.7501 177.8503 118 F 4.5489 8.0820 115.6223 55.7938 40.0910 175.1870 119 N 4.1847 7.7732 114.4452 54.1567 36.5431 174.3687 120 L 4.5196 7.8827 116.3883 53.6222 43.5880 177.0613 121 K 4.6860 8.5619 121.5227 53.9972 35.0159 175.5634 122 D 4.5359 8.4273 120.6488 56.3543 41.1405 176.7347 123 G 4.0786 8.7056 111.5529 45.0184 0.0000 173.9169 124 D 4.5838 7.8501 118.7622 54.4003 42.1747 175.5129 125 V 4.8659 8.2421 120.5828 61.1783 33.8559 174.6657 126 I 4.7184 8.4213 119.8625 59.0709 41.6636 173.9469 127 K 4.9552 8.3814 121.8465 54.5580 34.7171 175.3294 128 I 4.7545 8.3689 117.6126 58.9438 40.6958 173.9251 129 L 4.7995 8.7316 127.4825 53.3721 44.5551 174.8049 130 I 4.7498 8.3788 126.6843 59.4322 40.0340 174.8481 131 K 4.6958 8.6725 125.9535 55.8145 33.9062 175.9224 132 G 4.3964 8.6224 109.0970 46.0905 0.0000 170.8554 133 D 5.1429 8.4874 117.7608 52.6274 44.5150 174.3107 134 K 4.5666 8.3757 123.5309 54.3102 34.8318 175.7375 135 D 4.2842 8.8903 125.6362 55.4013 41.6156 175.4044 136 E 4.0817 8.1751 123.1322 56.6118 30.6337 173.6401 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 8.29 4.52 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 V 8.06 4.52 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 0.59 0.00 0.00 1.01 0.00 0.00 3 K 9.51 4.50 0.00 1.90 1.75 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 L 8.57 5.16 0.00 1.57 1.57 0.94 0.90 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 5 M 8.73 4.97 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 6 I 8.44 5.09 1.89 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 1.37 1.08 0.92 0.00 0.00 7 I 8.42 4.77 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.99 0.00 0.00 8 E 8.87 4.93 0.00 1.84 1.84 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 2.22 2.29 0.00 9 G 8.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.52 5.10 0.00 2.06 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 0.00 2.20 2.42 0.00 11 V 8.51 3.62 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 1.00 0.00 0.00 0.97 0.00 0.00 12 V 8.29 4.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 13 S 8.59 4.37 0.00 3.82 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 14 G 8.37 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 0.00 0.00 0.00 15 L 8.30 4.68 0.00 1.63 1.56 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 3.99 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 18 G 7.65 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.53 4.33 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 20 Y 7.44 4.75 0.00 3.01 2.89 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 21 F 8.47 4.62 0.00 3.05 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 22 L 8.12 4.57 0.00 1.60 1.69 0.99 1.24 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 23 S 8.17 4.41 0.00 3.93 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 24 L 7.55 4.27 0.00 2.32 1.49 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.11 0.00 2.06 2.12 0.00 3.37 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 2.31 2.20 0.00 26 P 0.00 4.17 0.00 1.29 1.50 0.00 2.93 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 27 Y 7.11 3.94 0.00 3.14 3.21 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 28 K 7.74 4.27 0.00 2.16 1.93 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.74 7.81 29 E 7.99 3.91 0.00 2.04 1.89 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 2.29 2.45 0.00 30 I 7.41 3.53 1.42 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.09 0.47 0.00 0.00 31 F 7.96 4.25 0.00 3.41 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 32 K 8.18 4.41 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.41 7.81 33 K 7.72 3.91 0.00 1.87 1.89 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 I 7.42 3.94 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.93 0.00 0.00 35 L 8.06 4.39 0.00 0.83 0.33 0.63 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.39 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 37 F 6.90 4.89 0.00 3.21 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 38 E 8.80 4.67 0.00 2.09 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 2.47 2.37 0.00 39 P 0.00 4.72 0.00 2.00 2.05 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.00 40 Y 8.16 4.24 0.00 3.19 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 41 E 6.92 4.13 0.00 1.48 1.69 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 2.16 1.98 0.00 42 G 7.33 4.09 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 0.00 0.00 0.00 43 T 8.30 4.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 44 L 8.85 4.58 0.00 1.72 1.52 0.87 0.81 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 45 N 8.67 5.30 0.00 2.87 2.70 0.00 0.00 6.86 6.99 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 46 L 8.45 5.18 0.00 1.52 1.46 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.54 4.77 0.00 1.86 1.65 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 48 L 8.56 5.09 0.00 1.58 1.59 0.92 0.92 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 49 D 8.58 4.88 0.00 2.79 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 50 R 7.52 4.73 0.00 1.84 1.87 0.00 3.26 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 51 E 8.75 4.48 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 52 F 8.74 4.88 0.00 3.16 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 53 D 8.02 4.86 0.00 2.79 2.38 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 54 I 8.86 4.02 1.97 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 0.86 1.31 0.54 0.00 0.00 55 N 8.07 4.98 0.00 3.00 2.93 0.00 0.00 6.98 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 56 K 7.87 4.03 0.00 1.40 1.26 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.26 7.81 57 F 7.84 4.77 0.00 3.14 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 58 K 8.71 4.29 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 59 Y 8.03 4.92 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.65 4.45 1.93 0.00 0.00 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 1.11 0.74 0.91 0.00 0.00 61 E 8.83 5.32 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 62 T 8.53 4.81 4.21 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 1.17 0.00 0.00 63 E 8.81 4.44 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 64 D 8.63 4.75 0.00 2.59 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 65 F 8.18 5.16 0.00 3.07 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 66 E 8.95 5.49 0.00 1.89 1.92 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 2.30 2.24 0.00 67 F 9.33 4.69 0.00 2.96 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 68 N 9.17 4.03 0.00 2.97 2.84 0.00 0.00 7.11 7.59 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 69 G 8.52 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 70 K 8.15 4.54 0.00 2.23 1.38 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.59 7.81 71 R 8.00 4.65 0.00 1.33 1.45 0.00 3.00 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 72 F 8.28 4.46 0.00 1.51 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 0.00 0.00 0.00 0.00 73 F 8.79 4.58 0.00 2.98 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 74 G 9.33 4.09 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 0.00 0.00 0.00 75 V 8.47 5.13 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 0.98 0.00 0.00 0.94 0.00 0.00 76 K 8.83 5.22 0.00 1.62 1.18 0.00 1.37 0.00 0.00 0.93 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.35 7.81 77 V 8.80 4.94 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 1.00 0.00 0.00 0.96 0.00 0.00 78 L 8.54 5.18 0.00 1.88 1.52 1.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.95 0.00 2.02 2.03 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 80 I 8.75 4.77 1.84 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 1.32 0.70 0.93 0.00 0.00 81 K 8.59 4.88 0.00 1.71 1.72 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.54 7.81 82 I 8.46 4.54 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.77 0.00 0.00 83 L 8.61 4.92 0.00 1.69 1.55 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.04 4.48 0.93 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.36 0.39 0.00 0.00 85 G 9.09 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 86 N 9.21 4.97 0.00 2.73 2.83 0.00 0.00 6.58 7.62 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 87 K 8.18 4.77 0.00 2.24 1.83 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 88 K 8.57 5.15 0.00 1.71 1.76 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.44 7.81 89 I 8.34 4.71 1.88 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 0.87 0.00 0.00 90 D 8.70 4.83 0.00 2.48 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 91 G 8.72 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 0.00 0.00 0.00 0.00 92 A 8.51 5.16 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 93 I 8.46 4.76 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.42 0.68 0.00 0.00 94 V 8.12 4.66 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 0.80 0.00 0.00 1.11 0.00 0.00 95 V 8.41 4.51 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 0.86 0.00 0.00 0.89 0.00 0.00 96 P 0.00 4.63 0.00 2.06 1.93 0.00 3.62 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 2.08 2.06 0.00 97 K 8.47 3.82 0.00 1.89 1.86 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.45 7.81 98 K 7.28 4.13 0.00 1.67 1.51 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.80 1.14 7.81 99 T 7.89 4.50 4.15 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 1.23 0.00 0.00 100 Y 8.71 4.29 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.91 5.07 0.00 3.17 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.47 4.84 0.00 3.90 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 0.00 103 S 8.24 4.80 0.00 3.76 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 0.00 104 E 8.61 4.95 0.00 1.92 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 0.00 2.43 2.35 0.00 105 I 7.89 5.03 1.87 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 1.41 0.88 0.89 0.00 0.00 106 I 8.32 4.52 1.47 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.40 0.00 0.00 107 E 8.58 5.08 0.00 1.87 1.85 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 2.46 2.27 0.00 108 I 8.60 5.02 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.94 0.00 0.00 109 I 8.58 4.92 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.82 0.00 0.00 110 A 8.20 5.02 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 0.00 111 P 0.00 4.09 0.00 1.84 1.76 0.00 3.48 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.00 112 M 7.31 4.53 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 113 K 7.75 3.91 0.00 1.26 1.51 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.42 7.81 114 L 8.43 4.20 0.00 1.68 1.61 0.83 0.96 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 0.00 115 R 7.93 3.99 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 116 E 8.00 3.92 0.00 1.97 1.85 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 2.31 2.35 0.00 117 Q 7.73 3.93 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 118 F 8.08 4.55 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 0.00 119 N 7.77 4.18 0.00 2.88 2.87 0.00 0.00 6.86 7.57 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 0.00 120 L 7.88 4.52 0.00 1.67 1.58 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.56 4.69 0.00 1.91 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 122 D 8.43 4.54 0.00 2.65 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 0.00 123 G 8.71 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.85 4.58 0.00 2.80 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 0.00 125 V 8.24 4.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 126 I 8.42 4.72 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.78 0.00 0.00 127 K 8.38 4.96 0.00 1.66 1.71 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.32 7.81 128 I 8.37 4.75 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.07 0.84 0.00 0.00 129 L 8.73 4.80 0.00 1.72 1.64 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.38 4.75 1.73 0.00 0.00 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 1.12 0.92 0.11 0.00 0.00 131 K 8.67 4.70 0.00 1.67 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 132 G 8.62 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.49 5.14 0.00 2.65 2.50 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 0.00 134 K 8.38 4.57 0.00 1.67 1.62 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.50 7.81 135 D 8.89 4.28 0.00 2.64 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 0.00 136 E 8.18 4.08 0.00 2.09 1.85 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 2.19 2.27 0.00