NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2313 8.4444 118.7970 56.3873 30.8891 173.5182 9 M 4.1438 8.5515 119.1112 54.7575 32.8002 174.3551 10 N 5.1251 8.2511 123.5263 52.1661 42.8725 172.6806 11 Y 5.3125 7.4574 117.1003 56.4904 41.2063 173.4166 12 E 4.8049 9.2803 119.1962 54.3021 33.4952 175.0010 13 E 4.1163 9.2865 126.0233 56.7835 29.7441 176.2204 14 V 4.3946 8.3487 120.7127 62.8059 33.6240 175.5803 15 F 4.7985 6.8786 112.6560 56.6509 40.6436 172.7120 16 S 5.3848 9.5576 114.6893 56.8518 67.0697 173.5443 17 I 5.1804 9.0190 121.9793 60.1011 41.0609 174.5262 18 T 4.9488 8.8288 123.6556 62.1215 70.5150 173.5576 19 I 4.8352 8.6316 127.6812 59.7680 40.3042 174.7348 20 T 4.9125 8.6206 123.3483 62.3659 70.0654 174.2971 21 V 4.7591 8.2061 118.9335 59.4465 34.8133 175.1955 22 D 4.8041 8.4638 123.8783 53.0687 42.6084 175.8401 23 K 4.1884 8.4390 118.8572 55.8423 33.1810 175.0078 24 P 4.4211 0.0000 0.0000 63.3744 32.3077 176.4918 25 I 4.2077 8.8997 124.8825 59.5098 37.7936 174.3549 26 L 4.1499 8.3384 129.5232 55.6610 41.9780 176.2159 27 I 4.0757 8.6555 128.1846 62.3536 37.6772 176.2789 28 G 4.0967 7.6093 106.0383 46.1136 0.0000 171.2744 29 Q 5.7290 8.8397 120.2741 54.7913 32.4115 172.8466 30 D 4.6562 8.3747 122.6716 52.6930 43.1106 174.8790 31 D 4.8794 8.6463 116.0933 54.5585 41.0341 176.8421 32 I 4.3157 7.9323 119.2093 63.1239 39.0491 177.4829 33 V 3.7326 8.3011 112.4883 62.5762 32.2115 176.3123 34 G 3.7416 8.1294 105.2019 43.7108 0.0000 170.9754 35 R 4.8401 8.6174 121.1637 54.7649 32.0741 176.2753 36 R 5.1407 8.9019 128.3082 54.9805 31.9861 175.0011 37 Q 5.0500 9.0051 123.1707 54.6732 32.9983 173.4073 38 L 5.1109 8.8158 120.7608 53.2519 44.3521 175.4803 39 I 4.6544 8.7103 125.8147 58.8823 38.9901 173.6251 40 P 4.7884 0.0000 0.0000 62.5893 32.7641 175.8429 41 I 4.4362 8.2191 124.8038 60.0697 37.3721 175.8888 42 I 4.0233 8.7117 129.9457 64.1287 37.7414 176.2948 43 S 4.5088 7.2275 114.0445 57.7681 65.9641 174.6476 44 G 4.3240 7.6373 104.2503 45.6702 0.0000 172.0721 45 K 4.9063 8.5149 124.6696 54.3222 34.9045 174.7740 46 V 5.0917 8.6461 128.1036 61.5830 33.3840 174.6697 47 S 5.5249 9.0628 121.5748 55.7581 66.8157 173.3857 48 G 4.6600 8.0399 112.3722 45.6916 0.0000 171.2986 49 N 4.6395 8.6201 119.7314 54.8472 39.1537 174.3690 50 N 4.3212 8.9918 123.6944 53.7610 36.0043 175.4049 51 F 4.6188 8.3903 118.3139 56.7607 40.7324 170.4718 52 N 5.3484 7.6620 120.2242 51.2280 42.2061 173.2823 53 G 4.2209 8.3804 110.6823 46.0980 0.0000 172.0265 54 K 5.2253 8.3624 119.6754 55.0187 36.6553 176.2744 55 V 4.3384 8.5867 122.1226 63.0455 32.1610 175.8420 56 L 4.5974 8.8077 127.8580 52.7480 43.3392 174.6923 57 P 4.3591 0.0000 0.0000 63.3579 31.7029 177.1839 58 G 4.0688 8.9536 107.6878 44.9387 0.0000 173.9227 59 G 4.0502 8.0264 108.1161 45.9539 0.0000 173.1016 60 I 5.1590 8.6522 124.6263 59.5589 41.9394 173.7458 61 D 5.1021 9.2349 127.2363 52.9701 42.6784 174.9980 62 S 4.8838 8.9739 122.6778 57.5758 63.7689 172.8390 63 Q 5.1854 9.0297 125.8029 54.1091 32.8663 174.3469 64 I 5.0238 8.5898 121.9943 59.3601 41.6332 174.0547 65 V 4.5031 8.7717 130.4183 61.4608 32.3696 175.8458 66 R 4.4102 9.1877 128.1352 55.2271 30.6870 176.1436 67 P 4.2481 0.0000 0.0000 65.9364 31.3122 177.3022 68 D 4.5025 7.9672 114.4038 53.7225 39.6463 176.8079 69 G 4.0042 8.3127 109.4153 45.0931 0.0000 174.0082 70 K 4.1528 8.3652 122.5784 56.4324 33.5157 175.0876 71 C 4.9895 9.0501 128.4637 58.1982 33.3864 171.8119 72 E 4.9619 9.1541 126.8043 55.0320 31.0274 174.9500 73 L 5.1444 9.0304 125.1704 53.0094 45.0604 175.9375 74 S 4.9155 9.2606 117.3332 56.9776 65.2768 171.9464 75 A 5.2767 9.1146 130.0771 50.3262 21.6573 175.5657 76 R 4.9920 8.9234 120.8234 54.7755 33.7565 174.4670 77 Y 5.3124 8.0520 120.9951 56.6645 42.0347 172.8847 78 A 5.2885 8.7381 119.1814 50.6273 23.0970 175.1650 79 I 5.0028 8.9770 112.8382 59.0090 41.7247 174.2433 80 R 4.8937 8.8272 123.8121 54.6123 32.5753 175.1463 81 L 4.6797 8.6554 127.0049 53.6608 42.9929 177.8657 82 D 4.2720 8.4224 120.4751 55.8374 39.4494 176.9905 83 D 4.5266 7.9521 117.8938 53.3842 39.6891 177.1322 84 G 3.8755 8.2562 109.4494 45.1138 0.0000 174.0617 85 A 4.2783 8.2705 121.9570 51.8649 19.4814 176.5151 86 A 5.1464 8.5202 121.7125 50.3424 22.2226 176.2115 87 I 4.7147 8.4424 119.5715 59.8252 41.5419 173.7190 88 Y 5.0799 8.9987 128.5677 56.2626 40.8441 174.0947 89 I 4.3826 8.0537 127.3186 59.2366 40.6076 174.1628 90 E 4.5415 8.3739 126.7283 54.5043 31.7921 174.5990 91 N 5.2241 8.9342 124.3590 51.8534 41.6204 172.6883 92 N 5.4158 8.6493 124.2547 51.8267 42.0250 174.4759 93 G 4.1152 8.8450 110.0405 45.8587 0.0000 171.6798 94 I 5.4026 8.7915 112.5262 59.2929 41.7105 174.7421 95 R 5.1571 9.0744 123.6594 55.2896 33.1555 173.9028 96 T 5.1620 9.4040 116.2853 60.0606 72.5662 173.1094 97 V 4.7715 8.1044 113.8332 58.6646 35.8333 173.9739 98 P 4.4462 0.0000 0.0000 62.5105 32.2571 177.0706 99 D 4.3424 8.8407 119.3685 57.6822 40.7657 178.4235 100 E 3.9586 8.1208 116.0604 58.4542 29.8190 177.3619 101 Y 4.5558 7.9272 116.6307 57.6906 38.5211 177.3376 102 I 3.7253 7.4394 121.5817 64.6618 37.7234 177.6461 103 E 4.0868 8.2292 118.4759 59.2500 29.1674 179.2215 104 A 4.1578 7.9236 120.4165 55.2546 18.3645 179.6807 105 V 3.0587 7.8924 116.4762 65.5649 31.1976 178.4484 106 K 3.9905 7.5615 117.5857 59.2209 32.3770 178.9125 107 S 4.3430 8.0166 110.9911 58.4010 64.1752 173.2455 108 G 3.6619 7.4281 110.0504 46.5631 0.0000 172.8918 109 E 4.4487 8.7422 118.5995 54.2883 31.4521 176.7923 110 F 4.3314 8.7680 122.4092 58.7029 39.6052 174.2293 111 V 3.8512 7.6254 127.1974 60.1277 33.7303 174.4712 112 D 4.0085 7.6967 126.1527 53.6244 41.6712 174.8917 113 P 4.4805 0.0000 0.0000 66.1600 31.4748 177.8409 114 N 4.4894 8.9501 113.5983 54.9788 38.6421 176.1799 115 A 3.8620 7.6091 121.2863 54.5134 18.5836 177.5337 116 Y 4.6025 7.2586 113.9352 58.0487 38.9442 174.9854 117 Y 4.4449 8.9812 125.5249 56.7040 40.5295 174.1919 118 F 5.3663 8.2600 128.8772 56.7753 41.6876 172.7685 119 R 5.0047 8.9309 123.9862 54.4361 34.7074 174.3525 120 T 5.0088 8.6018 110.9968 60.4909 73.2851 172.6706 121 I 4.8191 8.7296 123.6270 58.9237 39.4113 173.2955 122 P 4.7807 0.0000 0.0000 62.4103 32.6912 175.5480 123 T 4.3955 8.4564 119.2852 61.7409 71.0272 173.3068 124 F 5.2479 8.4507 123.7932 55.5677 42.2984 174.4118 125 E 4.6987 9.1531 122.5392 54.6534 32.2714 174.7148 126 T 4.3952 8.0770 115.5638 59.5072 72.5307 172.7131 127 Y 4.8506 7.9865 117.1302 57.1629 39.6701 175.4086 128 S 4.6773 8.0018 112.1656 56.5062 65.1395 173.2029 129 P 4.3174 0.0000 0.0000 65.5662 31.3390 178.5096 130 K 3.9060 7.7418 118.7361 58.6735 32.2903 176.9494 131 Y 4.6282 7.7693 114.4913 57.5383 38.4360 177.6287 132 K 4.0995 7.9247 121.5618 58.6932 31.9892 179.0647 133 W 4.4405 8.4225 116.9245 59.8340 27.6250 177.9345 134 M 3.8732 7.0418 118.5285 57.5660 31.3153 177.4567 135 M 4.5346 7.8498 116.8475 55.6727 32.4724 176.1217 136 N 5.1864 8.2264 115.9621 52.9924 40.0693 173.6037 137 H 5.0271 8.3638 113.4800 54.0667 33.0897 172.7678 138 I 4.5371 8.0477 121.5672 60.8381 38.6641 175.0140 139 F 5.4834 8.9148 123.0487 55.8473 43.2364 174.2665 140 V 4.6487 9.0946 120.5839 61.2726 35.2056 173.6449 141 C 4.9745 9.1316 127.3259 57.6830 34.1836 172.0054 142 C 4.8075 8.7746 123.9037 58.0873 29.5647 172.7929 143 A 5.0330 7.8573 125.2519 50.1125 21.8894 174.6365 144 S 4.7770 8.4870 112.8112 57.6525 67.2709 173.3559 145 R 5.1540 8.2911 118.4863 53.9758 32.0228 176.4733 *148 E 4.3071 8.3984 116.8807 56.3657 31.0129 175.1504 149 N 4.9202 7.4884 114.6025 52.6772 43.6124 173.1354 150 V 4.7127 8.3787 119.7241 60.0382 34.1265 174.4539 151 L 4.8893 8.4862 127.0427 53.5454 43.8242 174.7364 152 L 4.9313 8.9572 126.8136 52.7797 44.5742 175.4227 153 K 4.6423 8.6758 123.6167 54.5239 34.7616 175.0592 154 F 4.8397 8.5648 124.0687 55.8301 41.4027 174.3797 155 Y 5.2510 9.2540 120.9038 56.0573 41.4104 174.5175 156 K 3.9657 9.4276 126.5372 55.5891 33.7794 175.5078 157 I 4.4491 8.5829 129.3847 60.8863 37.9552 176.2312 158 S 4.4462 8.7828 122.7269 58.7184 62.4273 174.2408 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 8 E 8.44 4.23 0.00 2.10 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 2.16 2.31 0.00 9 M 8.55 4.14 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 10 N 8.25 5.13 0.00 2.63 2.58 0.00 0.00 6.65 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.46 5.31 0.00 3.07 2.90 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 12 E 9.28 4.80 0.00 1.94 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 2.20 2.19 0.00 13 E 9.29 4.12 0.00 2.04 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 2.02 1.53 0.00 14 V 8.35 4.39 2.34 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 1.09 0.00 0.00 1.04 0.00 0.00 15 F 6.88 4.80 0.00 3.27 2.83 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 16 S 9.56 5.38 0.00 3.80 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 17 I 9.02 5.18 2.15 0.00 0.00 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 1.56 1.31 1.04 0.00 0.00 18 T 8.83 4.95 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 I 8.63 4.84 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.03 0.83 0.00 0.00 20 T 8.62 4.91 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 1.21 0.00 0.00 21 V 8.21 4.76 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 0.65 0.00 0.00 0.92 0.00 0.00 22 D 8.46 4.80 0.00 2.70 2.60 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 23 K 8.44 4.19 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.46 7.81 24 P 0.00 4.42 0.00 1.96 2.15 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 25 I 8.90 4.21 1.96 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 1.12 0.68 0.92 0.00 0.00 26 L 8.34 4.15 0.00 1.64 1.60 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.66 4.08 1.97 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 1.27 0.96 0.92 0.00 0.00 28 G 7.61 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.84 5.73 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 30 D 8.37 4.66 0.00 2.79 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 31 D 8.65 4.88 0.00 2.69 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 32 I 7.93 4.32 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 0.72 0.91 0.00 0.00 33 V 8.30 3.73 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 0.64 0.00 0.00 1.01 0.00 0.00 34 G 8.13 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 35 R 8.62 4.84 0.00 1.95 1.80 0.00 3.18 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 36 R 8.90 5.14 0.00 1.96 1.77 0.00 3.16 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 37 Q 9.01 5.05 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 38 L 8.82 5.11 0.00 1.60 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.71 4.65 1.87 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 1.22 1.05 0.90 0.00 0.00 40 P 0.00 4.79 0.00 2.07 1.97 0.00 3.57 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 41 I 8.22 4.44 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.74 0.00 0.00 42 I 8.71 4.02 1.86 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 1.28 0.51 0.91 0.00 0.00 43 S 7.23 4.51 0.00 3.83 3.92 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 44 G 7.64 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 45 K 8.51 4.91 0.00 1.84 1.68 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 46 V 8.65 5.09 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 1.09 0.00 0.00 0.98 0.00 0.00 47 S 9.06 5.52 0.00 3.94 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 48 G 8.04 4.66 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 49 N 8.62 4.64 0.00 2.75 2.82 0.00 0.00 7.18 7.79 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 50 N 8.99 4.32 0.00 2.96 2.92 0.00 0.00 6.86 7.45 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 51 F 8.39 4.62 0.00 3.30 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 52 N 7.66 5.35 0.00 2.61 2.66 0.00 0.00 6.71 7.74 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 53 G 8.38 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 54 K 8.36 5.23 0.00 1.78 1.84 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 55 V 8.59 4.34 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 0.86 0.00 0.00 1.00 0.00 0.00 56 L 8.81 4.60 0.00 1.58 1.62 0.92 1.04 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 57 P 0.00 4.36 0.00 2.05 1.99 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 58 G 8.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.03 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.65 5.16 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 1.15 0.99 0.94 0.00 0.00 61 D 9.23 5.10 0.00 2.71 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 62 S 8.97 4.88 0.00 3.96 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 63 Q 9.03 5.19 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 64 I 8.59 5.02 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 1.12 1.63 0.97 0.00 0.00 65 V 8.77 4.50 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 0.99 0.00 0.00 0.92 0.00 0.00 66 R 9.19 4.41 0.00 2.05 1.83 0.00 3.37 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 67 P 0.00 4.25 0.00 2.03 2.22 0.00 3.67 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 2.12 2.10 0.00 68 D 7.97 4.50 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.31 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 70 K 8.37 4.15 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.42 7.81 71 C 9.05 4.99 0.00 2.99 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 72 E 9.15 4.96 0.00 1.95 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 2.27 2.28 0.00 73 L 9.03 5.14 0.00 1.61 1.60 1.00 0.40 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 74 S 9.26 4.92 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 9.11 5.28 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 76 R 8.92 4.99 0.00 1.85 1.98 0.00 3.25 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 77 Y 8.05 5.31 0.00 3.12 3.05 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 0.00 0.00 0.00 78 A 8.74 5.29 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 79 I 8.98 5.00 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 1.04 0.00 0.00 80 R 8.83 4.89 0.00 1.79 1.73 0.00 3.04 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 81 L 8.66 4.68 0.00 1.41 1.22 -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.42 4.27 0.00 2.77 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 83 D 7.95 4.53 0.00 2.83 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 84 G 8.26 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 85 A 8.27 4.28 1.13 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 0.00 0.00 86 A 8.52 5.15 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 87 I 8.44 4.71 1.70 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.43 0.80 0.00 0.00 88 Y 9.00 5.08 0.00 3.19 2.96 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 89 I 8.05 4.38 0.83 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 1.23 0.77 0.50 0.00 0.00 90 E 8.37 4.54 0.00 1.57 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 2.02 2.31 0.00 91 N 8.93 5.22 0.00 2.78 2.72 0.00 0.00 6.55 6.30 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 92 N 8.65 5.42 0.00 2.72 2.66 0.00 0.00 6.30 7.75 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 93 G 8.84 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 0.00 0.00 0.00 94 I 8.79 5.40 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.97 0.00 0.00 95 R 9.07 5.16 0.00 1.20 1.46 0.00 2.21 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 1.33 1.26 0.00 96 T 9.40 5.16 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 1.27 0.00 0.00 97 V 8.10 4.77 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.93 0.00 0.00 98 P 0.00 4.45 0.00 2.39 2.04 0.00 3.58 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 2.26 2.13 0.00 99 D 8.84 4.34 0.00 2.69 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 0.00 100 E 8.12 3.96 0.00 1.85 1.88 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 1.82 1.47 0.00 101 Y 7.93 4.56 0.00 2.91 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 0.00 102 I 7.44 3.73 1.98 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 1.54 0.65 0.92 0.00 0.00 103 E 8.23 4.09 0.00 1.96 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 2.39 2.31 0.00 104 A 7.92 4.16 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 0.00 105 V 7.89 3.06 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 106 K 7.56 3.99 0.00 1.97 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.71 7.81 107 S 8.02 4.34 0.00 4.04 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 0.00 108 G 7.43 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 0.00 109 E 8.74 4.45 0.00 1.96 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 2.35 2.27 0.00 110 F 8.77 4.33 0.00 2.94 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 0.00 111 V 7.63 3.85 1.72 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 -0.16 0.00 0.00 0.84 0.00 0.00 112 D 7.70 4.01 0.00 2.69 2.24 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 0.00 113 P 0.00 4.48 0.00 2.29 2.22 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 114 N 8.95 4.49 0.00 2.94 2.86 0.00 0.00 7.02 7.22 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 0.00 115 A 7.61 3.86 0.27 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 0.00 116 Y 7.26 4.60 0.00 2.95 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 0.00 117 Y 8.98 4.44 0.00 3.14 2.90 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 0.00 118 F 8.26 5.37 0.00 2.90 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 0.00 119 R 8.93 5.00 0.00 1.54 1.56 0.00 3.05 0.00 0.00 2.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 120 T 8.60 5.01 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 1.14 0.00 0.00 121 I 8.73 4.82 1.86 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 1.28 0.93 0.99 0.00 0.00 122 P 0.00 4.78 0.00 1.32 2.16 0.00 3.91 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 2.04 2.19 0.00 123 T 8.46 4.40 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 1.14 0.00 0.00 124 F 8.45 5.25 0.00 2.82 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 0.00 125 E 9.15 4.70 0.00 2.10 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 1.94 2.15 0.00 126 T 8.08 4.40 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 0.98 0.00 0.00 127 Y 7.99 4.85 0.00 2.98 2.99 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 0.00 128 S 8.00 4.68 0.00 3.93 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 0.00 129 P 0.00 4.32 0.00 2.22 2.13 0.00 3.68 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 2.14 2.12 0.00 130 K 7.74 3.91 0.00 1.48 1.29 0.00 1.61 0.00 0.00 1.28 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.76 1.17 7.81 131 Y 7.77 4.63 0.00 2.98 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 0.00 132 K 7.92 4.10 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 133 W 8.42 4.44 0.00 3.73 3.41 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 0.00 0.00 0.00 0.00 134 M 7.04 3.87 0.00 1.13 1.71 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 135 M 7.85 4.53 0.00 2.00 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 2.52 2.78 0.00 136 N 8.23 5.19 0.00 2.81 2.81 0.00 0.00 6.70 7.58 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 0.00 137 H 8.36 5.03 0.00 3.13 2.96 0.00 5.69 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 0.00 138 I 8.05 4.54 1.90 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 1.39 1.04 0.97 0.00 0.00 139 F 8.91 5.48 0.00 2.98 3.13 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 0.00 140 V 9.09 4.65 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 0.83 0.00 0.00 0.92 0.00 0.00 141 C 9.13 4.97 0.00 2.32 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 0.00 0.00 0.00 0.00 142 C 8.77 4.81 0.00 2.94 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 0.00 143 A 7.86 5.03 -0.25 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 0.00 144 S 8.49 4.78 0.00 3.91 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 0.00 145 R 8.29 5.15 0.00 1.77 1.94 0.00 3.25 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 *148 E 8.40 4.31 0.00 2.00 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 2.22 2.35 0.00 149 N 7.49 4.92 0.00 2.60 2.74 0.00 0.00 6.72 7.68 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 0.00 150 V 8.38 4.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.02 0.00 0.00 151 L 8.49 4.89 0.00 1.81 1.54 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.96 4.93 0.00 1.67 1.12 1.07 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.68 4.64 0.00 1.58 1.35 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.30 7.81 154 F 8.56 4.84 0.00 1.92 2.54 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 0.00 155 Y 9.25 5.25 0.00 2.86 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 0.00 156 K 9.43 3.97 0.00 1.90 1.69 0.00 1.30 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 1.04 7.81 157 I 8.58 4.45 1.95 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 1.35 0.95 0.94 0.00 0.00 158 S 8.78 4.45 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.