NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5249 8.3349 117.1102 57.5206 64.0676 173.1861 3 L 4.1358 8.2675 121.9291 53.4946 42.2309 174.8261 4 P 4.3214 0.0000 0.0000 63.1400 32.8786 175.9235 5 M 4.4597 8.6909 123.5282 54.6869 34.2654 174.5569 6 L 5.1043 9.1020 122.1970 53.4066 44.7735 174.7408 7 Q 5.0786 9.0221 127.3716 54.1587 32.4670 174.0455 8 V 4.6690 8.4023 125.4515 60.0715 33.7724 174.4898 9 A 4.6069 8.3609 127.4135 51.0202 19.8349 177.5519 10 L 4.3317 8.7381 124.6215 53.1104 41.6360 177.1891 11 D 4.9538 7.8873 130.2032 53.7968 41.7671 176.3593 12 N 4.9901 7.6742 115.8842 52.4716 40.0481 176.6287 13 Q 4.2660 8.3942 118.6786 57.3770 29.8539 175.8732 14 T 4.7612 7.3030 107.3866 59.0453 73.2327 174.4895 15 M 3.5934 9.1779 122.8441 58.4643 31.8579 178.8893 16 D 4.3097 7.8384 118.7437 56.4869 39.1171 178.5213 17 S 4.0195 7.6384 112.8709 61.0690 62.3349 175.9420 18 A 3.9333 7.6298 123.4094 55.4672 18.0215 179.2796 19 Y 4.8964 7.8877 116.6685 60.6982 37.6651 178.4006 20 E 4.0351 7.9845 118.6629 59.0264 29.7424 178.9987 21 T 4.2443 7.3480 115.8828 66.3252 69.1115 177.2728 22 T 3.8528 8.2137 112.0980 64.6800 68.4775 176.5430 23 R 4.0892 8.2633 118.1806 58.4897 29.3953 178.3463 24 L 4.3627 7.7223 118.7763 56.1757 42.5771 177.3002 25 I 4.2934 7.4777 109.3052 60.1941 38.1276 176.8176 26 A 3.5833 7.9050 125.6279 55.4286 18.0173 178.7773 27 E 4.5158 7.9774 111.8742 56.3281 29.5400 176.3906 28 E 4.5678 8.2723 117.9249 56.0870 30.9577 175.8709 29 V 4.5348 7.3098 110.5482 59.5772 34.4172 174.7001 30 D 4.6472 8.8732 120.3429 55.6381 42.6220 177.1284 31 I 4.6869 7.4662 118.0505 59.2989 41.2570 174.6917 32 I 4.5157 8.4990 127.6084 59.6998 38.8022 174.0743 33 E 4.7807 8.7323 129.2600 54.5691 31.6970 175.1203 34 V 3.8116 9.0942 128.2820 61.6561 32.0428 175.6137 35 G 4.3337 8.6094 115.9074 45.4919 0.0000 173.2498 36 T 4.1062 8.5518 118.7956 66.0209 68.4141 176.9758 37 I 3.6549 7.6674 121.1908 64.2849 37.0723 178.0576 38 L 4.4210 7.5916 122.0276 57.5186 41.9481 178.5688 39 C 4.0702 8.1763 117.0939 62.8365 27.8501 176.2739 40 V 3.6842 7.8982 119.0716 65.6454 31.1451 178.1262 41 G 3.7384 8.0002 106.2656 46.5810 0.0000 174.7411 42 E 4.5593 8.4618 118.2717 54.9140 31.6442 176.8564 43 G 3.8683 8.1948 107.0348 44.6238 0.0000 174.3019 44 V 3.7324 8.1029 117.4855 63.8787 31.0246 178.1035 45 R 3.9597 7.9981 116.6824 59.0266 29.1707 178.3656 46 A 4.0002 8.0000 122.0152 55.0028 18.3157 179.7780 47 V 3.4504 7.5692 116.4149 66.1003 31.6934 178.1781 48 R 4.3823 7.8058 119.2320 59.1209 30.0964 178.0387 49 D 4.3538 8.5595 118.9931 57.4163 40.7953 178.8311 50 L 4.1333 8.0412 119.5844 57.6917 41.4871 179.4961 51 K 3.9537 8.3343 119.4706 59.3342 31.8702 178.7957 52 A 4.0627 7.7490 120.4892 54.8984 18.3020 179.2629 53 L 3.7768 7.3214 116.5858 56.4640 43.2195 177.2556 54 Y 4.9134 7.6684 115.0846 55.7118 38.0979 174.6343 55 P 4.4501 0.0000 0.0000 64.9813 32.0535 177.9032 56 H 4.5110 8.2269 112.4113 56.1607 29.1710 175.0661 57 K 4.4162 7.3722 119.7721 54.6175 33.9692 175.8819 58 I 3.8657 7.3624 120.2238 61.1515 38.2546 175.1495 59 V 4.6034 8.9865 127.5700 60.9061 34.0209 173.7276 60 L 5.1114 8.7669 130.0781 53.2465 44.7037 174.8146 61 A 4.5962 8.8312 128.9983 50.1581 19.8949 176.4883 62 D 4.8876 8.4112 126.5570 54.0926 38.7394 177.1485 63 A 4.0544 7.9004 122.3550 52.6255 19.8510 177.7504 64 K 3.6936 7.9974 115.0086 56.7756 30.3931 176.1289 65 I 3.5876 7.7213 118.6698 62.1339 37.7005 177.2590 66 A 4.4622 8.1635 126.9884 52.4508 20.4617 175.0818 67 D 4.2953 8.2976 111.6967 54.8542 44.1184 174.1180 68 A 3.7449 8.3934 121.2694 52.7298 16.1563 179.6811 69 G 3.7568 8.2644 109.4179 48.8022 0.0000 175.0060 70 K 3.9918 7.9755 121.4333 59.2203 32.3729 178.7709 71 I 3.7107 7.6756 119.4541 64.5330 37.3025 178.3308 72 L 3.9890 8.1942 120.2600 57.7573 41.1889 179.8086 73 S 4.0630 8.1653 114.3430 61.4130 62.9013 176.5478 74 R 3.8800 8.1878 122.3617 59.3239 29.3321 178.3425 75 M 4.0209 8.0027 118.5626 58.6254 31.9930 178.6225 76 C 4.0104 7.7559 116.3100 62.8222 28.2751 176.2376 77 F 4.0734 7.9818 119.5948 60.1982 38.0988 177.6109 78 E 4.1524 8.1964 117.5616 58.4649 29.6032 177.9804 79 A 4.3928 7.3278 118.7623 51.6298 18.4737 177.5013 80 N 4.4820 8.0740 114.1140 54.3275 36.4110 174.7691 81 A 4.1618 7.6279 120.4080 52.5921 19.1794 177.9293 82 D 4.9890 9.0498 119.7879 55.1754 42.9817 176.8432 83 W 6.0227 7.9541 116.0367 55.1785 33.8087 174.9378 84 V 5.2666 8.9066 113.6717 58.9994 36.0328 174.4342 85 T 4.9386 8.3516 112.5620 59.9648 71.8993 173.0347 86 V 4.7670 8.2406 123.6992 60.7653 34.5032 174.6651 87 I 3.9919 8.3111 128.7557 60.8046 38.4782 176.4731 88 C 3.8191 8.3852 124.0307 61.2708 29.3020 174.7188 89 C 4.4067 8.0159 112.2756 58.6384 30.0012 173.6635 90 A 4.0940 7.5984 124.0022 52.1335 18.7098 176.8881 91 D 4.4911 8.6059 120.0709 54.2547 42.1272 177.2818 92 I 3.9986 8.6275 124.8455 64.5922 37.7817 177.8068 93 N 4.5155 8.6830 116.8212 55.9106 37.8595 177.5852 94 T 3.8991 8.3613 118.0648 66.4625 68.5472 176.6208 95 A 4.0453 7.9733 122.2014 55.1381 18.5147 179.6425 96 K 4.0491 8.3025 117.1642 59.5089 32.1198 179.8614 97 G 3.6137 8.3782 105.8655 47.7808 0.0000 175.6545 98 A 4.3142 8.1819 124.9170 54.2822 18.4201 179.5124 99 L 3.9125 8.2310 119.0746 58.2209 41.9163 178.7092 100 D 4.3256 8.0367 117.3077 57.2598 41.4817 178.1413 101 V 3.7903 7.7800 118.1459 65.8174 31.5170 177.5813 102 A 2.6333 8.1758 120.8447 55.0842 18.1444 179.7947 103 K 3.8851 8.0512 116.5058 59.6487 31.8126 179.4007 104 E 3.9952 8.0489 118.0684 58.2155 29.2923 178.2616 105 F 4.5545 7.6414 115.1059 55.9956 39.8420 174.8467 106 N 4.1870 7.8314 114.0969 54.6721 36.6051 173.7187 107 G 4.6258 7.9670 107.0573 44.9729 0.0000 172.1301 108 D 4.9812 9.1590 118.3476 53.0990 45.5824 174.8660 109 V 4.9431 8.2161 119.7331 61.0658 34.3153 174.3893 110 Q 4.6849 8.7850 125.3612 54.0861 32.3577 174.4117 111 I 4.1267 7.7019 123.3213 59.7802 39.0658 174.5063 112 E 4.1964 8.8666 129.4688 54.6739 30.0033 176.6328 113 L 4.2182 8.0002 132.7566 53.6914 39.9109 176.6886 114 T 4.5318 7.5556 114.9747 63.4173 70.8798 174.6421 115 G 3.8191 8.9055 116.3709 44.9764 0.0000 172.0009 *116 Y 4.3532 8.1467 118.5691 55.6878 38.0421 170.9633 117 W 5.3002 7.6491 119.4272 54.1137 31.0797 173.8869 118 T 4.3424 8.8358 109.5083 59.1577 72.4031 175.1584 119 W 4.4856 8.4611 123.4018 60.3004 28.9210 179.3671 120 E 4.0523 8.2135 118.2954 61.1888 29.2665 183.1039 121 Q 3.8324 7.8180 118.5380 58.4788 28.8159 178.5587 122 A 2.9386 7.2944 121.6994 54.9701 18.3388 179.5087 123 Q 4.0198 8.1140 117.9733 59.3177 29.0170 178.4593 124 Q 3.9870 7.5923 119.2273 58.6460 28.6709 178.6563 125 W 4.5041 7.9060 119.9595 59.9440 29.1134 178.7613 126 R 3.8924 8.2651 117.5813 59.5456 29.3231 178.9335 127 D 4.3725 8.1898 117.0690 57.1548 40.8786 178.2017 128 A 4.2950 8.1153 119.7739 53.0358 18.5787 178.1862 129 G 3.9999 7.9812 105.5637 44.9811 0.0000 173.8977 130 I 3.9530 7.9785 121.3147 61.2511 37.6244 176.0561 131 G 4.2384 8.7274 110.0438 46.0270 0.0000 172.1837 132 Q 5.2017 7.8791 118.8434 54.1760 33.2930 174.4449 133 V 4.4538 8.2810 114.4819 59.4998 36.6187 174.9101 134 V 4.3929 8.2848 124.3663 61.2211 33.2755 174.3351 135 Y 4.3417 9.1766 131.7852 57.6187 39.4964 173.7579 136 H 5.2879 8.0121 127.3171 54.1302 31.9878 173.2345 137 R 3.8577 8.7792 127.8574 55.5336 30.4234 176.2603 138 S 3.9896 8.7040 121.1727 58.7598 63.0972 174.9138 139 R 3.9442 8.6463 126.8493 59.7638 29.8567 178.4970 140 D 4.3307 8.0150 118.0132 57.0225 40.8845 178.4589 141 A 3.9437 7.7894 121.2089 54.9535 18.2442 179.2928 142 Q 4.1044 8.6743 119.6673 58.8556 28.9228 178.6555 143 A 4.0506 7.9943 119.9874 54.6893 18.4275 178.4583 144 A 4.3355 7.4054 116.5946 52.3451 18.8325 178.1662 145 G 3.8689 8.0579 106.7737 45.0378 0.0000 174.3082 146 V 3.5517 8.0521 120.8793 62.6155 31.5660 175.2287 147 A 4.6055 8.1643 129.7794 49.7599 21.2879 175.8949 148 W 4.5115 8.6235 119.7629 56.9902 30.0284 176.4124 149 G 4.2163 9.9993 112.9314 44.0809 0.0000 173.3506 150 E 4.0101 9.1505 117.0498 61.4215 29.4156 174.9142 151 A 4.3132 8.1404 121.2109 55.1747 18.3611 179.3938 152 D 5.0252 8.1950 118.2924 57.2711 40.9916 178.9501 153 I 3.8082 7.9159 119.8032 64.7182 37.1582 178.4389 154 T 3.9080 8.2358 116.2770 66.6650 68.2510 176.6054 155 A 4.5848 8.3463 122.6266 55.3916 18.5112 179.6961 156 I 3.6562 8.1142 118.7398 64.5613 37.1001 178.8483 157 K 4.0817 8.3523 119.3636 59.4540 31.9395 179.4381 158 R 3.8938 8.3245 119.0283 59.4018 29.8521 178.5721 159 L 4.5456 8.7426 119.2571 58.0175 41.6101 179.4679 160 S 4.5161 8.3560 114.4483 61.1363 62.1854 176.0044 161 D 4.4194 8.3472 120.4929 57.2148 40.6048 178.0045 162 M 4.2858 7.8075 117.6272 55.8988 32.1921 177.0329 163 G 3.9791 7.9596 106.7372 44.7862 0.0000 173.9357 164 F 4.8067 7.9747 119.1177 57.0422 40.9667 174.7565 165 K 4.5461 9.1275 122.3677 55.4832 33.5404 175.7500 166 V 4.6786 8.3484 125.1214 61.6455 33.7916 174.2634 167 T 4.7636 8.6332 124.5272 61.8689 71.0478 173.5899 168 V 4.8993 7.9427 125.5669 61.6033 34.4269 174.2083 169 T 4.4961 8.7025 120.1896 61.7063 71.4846 170.4033 170 G 3.8813 10.5020 111.8445 46.0159 0.0000 173.6661 171 G 4.3249 8.1520 114.0563 45.8537 0.0000 171.7134 172 L 4.4124 8.4004 118.8457 54.4329 42.5544 176.8020 173 A 4.9612 9.3811 126.2875 49.9517 21.7222 176.9894 174 L 3.1800 8.4719 121.4492 58.4275 41.6670 179.4440 175 E 4.0625 7.9898 115.7987 58.5496 29.8032 178.0225 176 D 4.5552 8.4362 119.2210 55.8417 41.0200 178.3210 177 L 4.0585 7.5844 119.9867 57.5734 41.7942 177.6028 178 P 4.1355 0.0000 0.0000 65.3643 30.9419 178.4651 179 L 3.8932 7.5849 116.8269 56.6302 41.5840 177.7659 180 F 4.8528 8.0811 116.1273 56.7030 39.4914 175.4788 181 K 3.2187 7.3662 122.4274 57.7475 32.2175 177.1606 182 G 3.9758 8.4520 113.2489 45.1506 0.0000 173.1606 183 I 4.5302 7.3553 120.2499 59.0280 39.2367 175.1221 184 P 4.7455 0.0000 0.0000 62.1227 29.7875 176.9781 185 I 3.5352 7.3321 118.8421 62.6805 38.2391 176.3275 186 H 4.4029 9.0336 125.8707 58.8478 30.8261 175.1411 187 V 4.6698 7.1424 116.0675 61.3559 35.2735 172.8314 188 F 5.1329 9.0526 125.4070 55.7402 41.6412 174.2934 189 I 4.8639 8.4566 124.2573 59.5041 39.0826 174.9845 190 A 4.0961 8.9111 128.5701 50.9357 21.3442 174.6044 191 G 3.8846 8.8987 110.5845 46.2290 0.0000 175.4544 192 R 4.0399 8.4373 117.6452 58.8667 30.6486 178.8148 193 S 4.2867 8.1974 111.9008 60.6373 62.9436 175.3728 194 I 4.2473 7.4272 121.8534 63.2582 38.0486 177.7246 195 R 3.9518 8.0063 117.5934 59.0978 30.0229 178.0030 196 D 4.7232 7.8825 114.8765 53.2421 41.3878 176.7359 197 A 4.2283 7.0522 122.9677 51.5118 19.1407 177.9159 198 A 4.0561 8.6722 123.1009 54.7190 18.6431 178.4359 199 S 4.4950 7.6886 109.8660 55.0411 63.9535 172.0226 200 P 4.3625 0.0000 0.0000 65.3997 31.1666 178.3673 201 V 3.5551 7.7147 116.3582 66.1722 31.5018 177.6572 202 E 3.9535 8.0877 118.4180 58.9887 29.4489 178.5817 203 A 4.0441 8.3618 121.0652 55.0894 18.4938 179.4743 204 A 4.0242 8.2874 119.4198 55.4877 18.4004 180.1337 205 R 3.9641 8.2837 116.6411 59.4017 29.9980 179.3773 206 Q 4.0013 8.4731 118.2527 58.8621 28.6061 178.6653 207 F 3.8384 8.3104 118.7474 60.4616 38.9489 177.8515 208 K 4.0432 8.3399 118.0286 59.5799 31.9550 179.6279 209 R 3.9461 8.3879 118.6804 59.3112 29.9398 179.1049 210 S 4.1017 8.3176 113.0596 61.3981 62.3744 176.1996 211 I 4.1286 8.2058 122.5725 64.6150 36.8697 178.3209 212 A 4.1376 8.3626 121.6066 54.9181 18.0946 179.4340 213 E 3.8996 8.1449 117.7991 59.5722 29.6310 179.0459 214 L 3.8601 8.3261 118.0103 56.4104 41.6845 178.4397 215 W 4.6672 8.3320 115.8074 56.1080 29.9929 176.0361 216 G 4.2961 7.7181 112.8520 45.2509 0.0000 173.7916 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 2 S 8.33 4.52 0.00 3.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.27 4.14 0.00 1.72 1.64 0.98 0.96 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 4 P 0.00 4.32 0.00 1.60 1.25 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.24 0.00 5 M 8.69 4.46 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 6 L 9.10 5.10 0.00 1.72 1.45 0.74 0.68 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 7 Q 9.02 5.08 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 8 V 8.40 4.67 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 0.66 0.00 0.00 0.86 0.00 0.00 9 A 8.36 4.61 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 10 L 8.74 4.33 0.00 1.68 1.59 0.93 0.71 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 11 D 7.89 4.95 0.00 2.68 2.63 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 12 N 7.67 4.99 0.00 2.67 2.66 0.00 0.00 6.97 7.30 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 13 Q 8.39 4.27 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 14 T 7.30 4.76 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 1.17 0.00 0.00 15 M 9.18 3.59 0.00 1.40 1.95 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 16 D 7.84 4.31 0.00 2.89 2.94 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 0.00 0.00 0.00 0.00 17 S 7.64 4.02 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.63 3.93 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 19 Y 7.89 4.90 0.00 3.14 2.95 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 20 E 7.98 4.04 0.00 2.08 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 2.39 2.70 0.00 21 T 7.35 4.24 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 1.19 0.00 0.00 22 T 8.21 3.85 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 23 R 8.26 4.09 0.00 2.03 2.22 0.00 3.10 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.71 0.00 24 L 7.72 4.36 0.00 1.80 1.75 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.48 4.29 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.36 0.92 0.00 0.00 26 A 7.90 3.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 4.52 0.00 1.95 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 2.27 2.28 0.00 28 E 8.27 4.57 0.00 1.98 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 0.00 2.21 2.37 0.00 29 V 7.31 4.53 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 0.66 0.00 0.00 0.86 0.00 0.00 30 D 8.87 4.65 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.47 4.69 1.78 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 0.96 0.87 0.75 0.00 0.00 32 I 8.50 4.52 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.54 0.87 0.00 0.00 33 E 8.73 4.78 0.00 2.18 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 2.28 2.22 0.00 34 V 9.09 3.81 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 0.82 0.00 0.00 0.91 0.00 0.00 35 G 8.61 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 0.00 0.00 0.00 0.00 36 T 8.55 4.11 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 37 I 7.67 3.65 1.84 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 1.50 0.72 0.91 0.00 0.00 38 L 7.59 4.42 0.00 1.92 1.76 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.18 4.07 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 40 V 7.90 3.68 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 0.78 0.00 0.00 0.92 0.00 0.00 41 G 8.00 3.74 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 0.00 0.00 0.00 42 E 8.46 4.56 0.00 1.96 1.93 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 2.31 2.34 0.00 43 G 8.19 3.87 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 0.00 0.00 0.00 44 V 8.10 3.73 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 0.80 0.00 0.00 0.92 0.00 0.00 45 R 8.00 3.96 0.00 2.06 2.23 0.00 2.96 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 46 A 8.00 4.00 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 47 V 7.57 3.45 2.16 0.00 0.00 0.00 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 0.85 0.00 0.00 48 R 7.81 4.38 0.00 1.90 2.03 0.00 3.27 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 49 D 8.56 4.35 0.00 2.85 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 50 L 8.04 4.13 0.00 1.88 1.86 1.01 1.32 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 51 K 8.33 3.95 0.00 1.94 1.80 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.50 7.81 52 A 7.75 4.06 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 53 L 7.32 3.78 0.00 0.99 0.25 0.35 0.17 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 54 Y 7.67 4.91 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.45 0.00 2.19 2.24 0.00 3.50 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 56 H 8.23 4.51 0.00 3.30 3.46 0.00 5.51 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 57 K 7.37 4.42 0.00 1.82 1.61 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.01 1.31 7.81 58 I 7.36 3.87 1.41 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.42 -0.33 0.00 0.00 59 V 8.99 4.60 2.01 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 0.96 0.00 0.00 0.96 0.00 0.00 60 L 8.77 5.11 0.00 1.73 1.48 1.32 1.18 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 61 A 8.83 4.60 1.10 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 62 D 8.41 4.89 0.00 2.73 2.64 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 63 A 7.90 4.05 1.21 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 64 K 8.00 3.69 0.00 1.80 1.78 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 65 I 7.72 3.59 1.82 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 1.18 0.81 0.94 0.00 0.00 66 A 8.16 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.30 4.30 0.00 2.57 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 68 A 8.39 3.74 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 69 G 8.26 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 70 K 7.98 3.99 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 71 I 7.68 3.71 1.88 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 1.65 0.42 0.91 0.00 0.00 72 L 8.19 3.99 0.00 1.75 1.67 0.94 0.90 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 73 S 8.17 4.06 0.00 4.32 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 74 R 8.19 3.88 0.00 2.12 2.14 0.00 3.17 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 75 M 8.00 4.02 0.00 2.07 2.21 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 2.79 2.57 0.00 76 C 7.76 4.01 0.00 2.66 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 77 F 7.98 4.07 0.00 2.22 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 78 E 8.20 4.15 0.00 1.93 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 2.58 2.56 0.00 79 A 7.33 4.39 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 80 N 8.07 4.48 0.00 2.93 3.04 0.00 0.00 6.86 6.93 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 81 A 7.63 4.16 1.01 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 0.00 0.00 82 D 9.05 4.99 0.00 2.38 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 83 W 7.95 6.02 0.00 3.20 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 84 V 8.91 5.27 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 0.17 0.00 0.00 1.00 0.00 0.00 85 T 8.35 4.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 86 V 8.24 4.77 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 0.75 0.00 0.00 0.87 0.00 0.00 87 I 8.31 3.99 1.95 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 1.24 1.01 0.91 0.00 0.00 88 C 8.39 3.82 0.00 3.31 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 4.41 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 4.09 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 91 D 8.61 4.49 0.00 2.80 2.59 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 92 I 8.63 4.00 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.15 0.96 0.00 0.00 93 N 8.68 4.52 0.00 2.97 2.88 0.00 0.00 6.93 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.36 3.90 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 1.23 0.00 0.00 95 A 7.97 4.05 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 96 K 8.30 4.05 0.00 2.02 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 97 G 8.38 3.61 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 0.00 0.00 0.00 98 A 8.18 4.31 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 99 L 8.23 3.91 0.00 1.93 1.85 0.92 1.12 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 0.00 100 D 8.04 4.33 0.00 2.84 2.82 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 0.00 101 V 7.78 3.79 2.33 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 1.17 0.00 0.00 1.04 0.00 0.00 102 A 8.18 2.63 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.05 3.89 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.69 7.81 104 E 8.05 4.00 0.00 2.13 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 0.00 2.29 2.60 0.00 105 F 7.64 4.55 0.00 2.48 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 0.00 106 N 7.83 4.19 0.00 2.88 2.92 0.00 0.00 6.64 8.80 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 0.00 107 G 7.97 4.63 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 0.00 0.00 0.00 108 D 9.16 4.98 0.00 2.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.22 4.94 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 0.85 0.00 0.00 1.03 0.00 0.00 110 Q 8.78 4.68 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 111 I 7.70 4.13 0.79 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 -0.68 0.00 0.00 112 E 8.87 4.20 0.00 1.78 1.67 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 2.16 2.48 0.00 113 L 8.00 4.22 0.00 1.40 1.02 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.56 4.53 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 1.09 0.00 0.00 115 G 8.91 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 *116 Y 8.15 4.35 0.00 2.34 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 0.00 0.00 0.00 117 W 7.65 5.30 0.00 3.71 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 0.00 118 T 8.84 4.34 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 1.14 0.00 0.00 119 W 8.46 4.49 0.00 3.46 3.33 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 0.00 120 E 8.21 4.05 0.00 1.97 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 2.31 1.97 0.00 121 Q 7.82 3.83 0.00 1.85 1.60 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 2.32 2.31 0.00 122 A 7.29 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.11 4.02 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 124 Q 7.59 3.99 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 125 W 7.91 4.50 0.00 3.91 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.27 3.89 0.00 2.01 1.85 0.00 2.81 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.34 0.00 127 D 8.19 4.37 0.00 2.80 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 0.00 128 A 8.12 4.30 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 0.00 129 G 7.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.95 2.22 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 1.43 0.89 0.93 0.00 0.00 131 G 8.73 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 0.00 132 Q 7.88 5.20 0.00 1.65 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.79 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 133 V 8.28 4.45 1.53 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 -0.53 0.00 0.00 0.64 0.00 0.00 134 V 8.28 4.39 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 1.02 0.00 0.00 0.81 0.00 0.00 135 Y 9.18 4.34 0.00 3.19 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 0.00 136 H 8.01 5.29 0.00 3.11 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.78 3.86 0.00 0.67 1.39 0.00 3.15 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 0.00 138 S 8.70 3.99 0.00 3.80 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 0.00 139 R 8.65 3.94 0.00 1.93 1.89 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 140 D 8.02 4.33 0.00 2.69 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 0.00 141 A 7.79 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 0.00 142 Q 8.67 4.10 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 143 A 7.99 4.05 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 0.00 144 A 7.41 4.34 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 0.00 145 G 8.06 3.87 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 0.00 0.00 0.00 146 V 8.05 3.55 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 0.82 0.00 0.00 0.94 0.00 0.00 147 A 8.16 4.61 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 0.00 148 W 8.62 4.51 0.00 3.37 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 10.00 4.22 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 0.00 150 E 9.15 4.01 0.00 1.98 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 2.32 1.97 0.00 151 A 8.14 4.31 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 0.00 152 D 8.20 5.03 0.00 3.32 3.31 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 0.00 153 I 7.92 3.81 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.82 0.95 0.00 0.00 154 T 8.24 3.91 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 155 A 8.35 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.11 3.66 2.06 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 1.03 0.11 0.95 0.00 0.00 157 K 8.35 4.08 0.00 2.02 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.67 7.81 158 R 8.32 3.89 0.00 1.90 2.21 0.00 2.42 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.36 0.00 159 L 8.74 4.55 0.00 2.15 1.98 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.36 4.52 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.35 4.42 0.00 2.85 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 0.00 162 M 7.81 4.29 0.00 1.99 2.52 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.63 0.00 163 G 7.96 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 0.00 164 F 7.97 4.81 0.00 3.24 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 0.00 165 K 9.13 4.55 0.00 1.62 1.47 0.00 1.38 0.00 0.00 1.08 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.28 7.81 166 V 8.35 4.68 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 1.09 0.00 0.00 1.07 0.00 0.00 167 T 8.63 4.76 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 1.16 0.00 0.00 168 V 7.94 4.90 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.61 0.00 0.00 169 T 8.70 4.50 4.22 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 0.92 0.00 0.00 170 G 10.50 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 0.00 171 G 8.15 4.32 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 0.00 172 L 8.40 4.41 0.00 1.79 1.80 1.03 0.61 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 0.00 173 A 9.38 4.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.47 3.18 0.00 1.33 1.47 0.08 0.73 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 0.00 175 E 7.99 4.06 0.00 1.95 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 2.30 2.42 0.00 176 D 8.44 4.56 0.00 2.78 2.70 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 0.00 177 L 7.58 4.06 0.00 1.61 1.79 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.14 0.00 2.08 2.02 0.00 3.69 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 2.05 2.11 0.00 179 L 7.58 3.89 0.00 0.70 1.17 0.82 0.65 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 0.00 180 F 8.08 4.85 0.00 3.75 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.37 3.22 0.00 1.52 1.51 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 0.88 7.81 182 G 8.45 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 0.00 183 I 7.36 4.53 2.28 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 1.03 0.00 0.00 184 P 0.00 4.75 0.00 2.22 2.19 0.00 3.88 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 2.05 0.00 185 I 7.33 3.54 1.05 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 1.58 0.55 -0.16 0.00 0.00 186 H 9.03 4.40 0.00 3.11 3.29 0.00 5.59 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 0.00 187 V 7.14 4.67 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 0.94 0.00 0.00 0.77 0.00 0.00 188 F 9.05 5.13 0.00 2.97 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 0.00 189 I 8.46 4.86 1.84 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 1.22 0.52 0.99 0.00 0.00 190 A 8.91 4.10 0.60 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 0.00 191 G 8.90 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 0.00 192 R 8.44 4.04 0.00 1.90 2.04 0.00 3.17 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 193 S 8.20 4.29 0.00 4.31 4.28 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 0.00 194 I 7.43 4.25 1.78 0.00 0.00 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 1.55 0.76 0.87 0.00 0.00 195 R 8.01 3.95 0.00 1.75 1.99 0.00 3.13 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 196 D 7.88 4.72 0.00 2.80 2.70 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 0.00 197 A 7.05 4.23 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 0.00 198 A 8.67 4.06 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 0.00 199 S 7.69 4.50 0.00 3.85 3.73 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 0.00 200 P 0.00 4.36 0.00 2.20 2.18 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 201 V 7.71 3.56 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 1.04 0.00 0.00 0.99 0.00 0.00 202 E 8.09 3.95 0.00 2.11 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 2.32 2.53 0.00 203 A 8.36 4.04 1.47 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 0.00 204 A 8.29 4.02 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 0.00 205 R 8.28 3.96 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 206 Q 8.47 4.00 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 207 F 8.31 3.84 0.00 3.33 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 0.00 208 K 8.34 4.04 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.66 7.81 209 R 8.39 3.95 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 210 S 8.32 4.10 0.00 3.85 3.90 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 0.00 0.00 0.00 211 I 8.21 4.13 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 1.03 0.00 0.00 212 A 8.36 4.14 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 0.00 213 E 8.14 3.90 0.00 2.28 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 0.00 2.29 2.37 0.00 214 L 8.33 3.86 0.00 1.71 0.93 0.97 0.57 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 0.00 215 W 8.33 4.67 0.00 3.64 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.72 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 * Residues marked with a * may have inaccurate shift predictions.