NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6578 8.2233 120.4578 53.1527 42.1034 176.2021 6 F 5.1641 9.4250 111.1693 55.4575 40.9520 172.4754 7 E 4.8118 10.6944 126.3012 54.4838 32.9451 173.8315 8 E 5.1646 8.7365 124.0312 54.5135 32.1816 175.4398 9 K 4.5440 9.5542 124.0949 54.7181 35.8425 174.9657 10 M 4.5352 8.6765 125.3578 54.5178 32.1278 175.5639 11 I 4.0084 8.4804 128.5059 63.5050 37.7156 176.5167 12 L 4.5882 7.3468 119.0469 55.1184 43.0239 172.8701 13 I 5.4297 8.4935 113.1567 59.2952 40.4110 174.5350 14 R 4.7356 9.2481 120.7939 54.6302 33.5251 174.1376 15 R 4.5308 8.4596 120.8957 54.5115 30.5482 175.2570 16 T 4.4225 8.1804 115.7859 61.0647 70.7177 173.2642 17 A 5.0045 8.3483 122.2263 50.3370 22.5844 175.2997 18 R 4.6527 8.7592 119.0924 54.8265 34.0225 173.9210 19 M 4.8700 8.4766 122.9131 54.1388 34.4409 175.2560 20 Q 4.4591 8.5605 119.4402 54.2229 33.4830 174.1929 21 A 4.2478 8.1922 122.3103 53.4951 19.0424 177.1299 22 G 4.3949 8.6191 113.8496 44.2731 0.0000 174.7349 23 G 3.8016 6.6150 107.6623 45.4712 0.0000 170.9150 24 R 4.3609 8.0477 122.1906 55.8975 31.0027 176.3664 25 R 4.2439 8.9304 124.0599 54.5766 31.9499 176.3490 26 F 5.3076 8.3520 122.7042 57.0185 40.6283 174.6928 27 R 4.7410 8.0485 118.6109 55.6886 33.9400 173.3927 28 F 5.0940 9.5814 122.0342 55.5531 43.0041 174.3110 29 G 4.3879 9.2114 109.2395 44.3110 0.0000 171.7565 30 A 5.3906 9.1254 125.9100 50.0025 22.5896 174.3206 31 L 5.2568 9.0132 125.1933 53.5931 44.3022 175.3936 32 V 4.8576 9.3752 126.0929 61.2153 34.9802 173.9829 33 V 4.7611 9.2939 128.5069 61.4563 33.6660 174.5970 34 V 5.2837 8.1220 126.6544 60.2535 34.7571 174.4429 35 G 4.9698 8.3903 113.0944 45.1009 0.0000 172.3783 36 D 4.9614 8.6375 116.8100 51.5965 40.4300 177.4040 37 R 4.0766 8.1928 118.3322 57.0454 28.1880 176.6773 38 Q 4.4741 10.4325 117.0588 55.8261 29.4073 175.7497 39 G 4.3194 8.5318 105.2207 45.6091 0.0000 172.9152 40 R 5.1218 8.3312 118.1491 54.2287 33.4462 174.9156 41 V 4.8971 8.5963 116.3342 59.6357 36.3531 174.9302 42 G 4.6745 8.8152 108.6010 43.6545 0.0000 171.2860 43 L 5.2838 8.5953 123.7539 52.9992 45.6907 175.3027 44 G 4.5216 9.0151 111.5228 44.7309 0.0000 171.2660 45 F 5.5890 9.2133 126.1672 56.4429 41.2403 173.8754 46 G 4.3893 9.1348 113.8558 44.2421 0.0000 170.7405 47 K 5.2658 8.1778 120.3840 54.7973 36.0312 175.0219 48 A 4.6601 8.7911 123.3133 50.7409 22.9649 175.5856 49 P 4.6363 0.0000 0.0000 64.3258 31.8408 176.9286 50 E 4.4520 7.7761 118.9306 53.6841 34.0658 175.7930 51 V 3.2994 7.5762 122.6564 65.7670 31.4255 176.2225 52 P 4.1479 0.0000 0.0000 65.9437 31.2161 178.2729 53 L 3.8551 7.9682 116.4977 57.8784 41.5352 179.3235 54 A 4.0025 8.2711 120.7958 55.2564 18.3403 179.4015 55 V 3.4973 8.2152 116.7844 66.4211 31.6666 177.5365 56 Q 3.9227 8.8013 119.5289 59.5225 28.8543 178.9032 57 K 3.8615 8.7152 120.2216 59.4547 32.1822 178.3573 58 A 4.3102 8.6473 121.4088 55.3525 18.3788 179.4790 59 G 3.8248 8.3107 104.0627 48.3666 0.0000 174.9394 60 Y 4.1623 7.6301 120.0721 60.8272 39.0027 177.6160 61 Y 3.9767 7.7401 117.3022 60.7800 37.7722 178.2183 62 A 4.4543 8.7019 123.5523 54.8122 18.2477 179.9106 63 R 3.9605 7.8630 115.8679 58.0111 30.3050 177.4627 64 R 4.2185 7.1614 114.6692 55.2245 31.6794 175.2117 65 N 4.0675 8.3976 113.7334 54.8389 36.3535 172.1952 66 M 4.9066 7.5720 117.9212 53.5937 35.7013 177.0144 67 V 4.3347 9.1368 121.3612 61.2129 35.1119 174.2947 68 E 4.4652 8.7616 128.8213 54.6711 29.5832 174.6994 69 V 3.6965 8.4716 127.1854 61.4071 31.8418 175.4751 70 P 4.6479 0.0000 0.0000 62.1647 28.6801 176.2811 71 L 4.3452 7.5707 120.0282 55.3657 43.0187 178.1428 72 Q 4.4942 8.3607 118.9650 54.5083 29.9597 174.3510 73 N 4.3454 7.8657 112.8716 54.1987 37.3759 174.9971 74 G 3.9682 8.8584 105.2705 44.7626 0.0000 173.1551 75 T 5.2501 7.6860 112.4832 59.0715 70.6276 172.0240 76 I 4.6612 7.8985 114.7933 58.3528 39.5086 173.9136 77 P 4.3700 0.0000 0.0000 66.0076 31.4408 175.4366 78 H 4.7058 7.3999 111.1443 54.8512 30.3497 171.2303 79 E 5.3126 9.0204 118.3474 54.4193 31.3437 175.7009 80 I 4.7505 8.3255 116.2260 59.0136 41.7191 173.6628 81 E 5.0348 8.7265 123.3919 54.5469 32.1716 174.7435 82 V 4.4977 8.7094 126.6362 61.0938 34.8213 173.7757 83 E 4.9581 8.9362 126.9726 54.7713 31.3346 175.4291 84 F 4.6474 9.8027 128.9656 56.9744 41.2087 176.5599 85 G 3.6299 8.0714 121.4119 46.6856 0.0000 172.4995 86 A 4.6713 8.8058 126.6392 51.3728 20.4933 175.4907 87 S 5.0813 8.1202 113.8764 56.5804 65.3712 173.2671 88 K 5.0737 9.3133 125.3436 54.5679 35.3820 174.4487 89 I 4.9251 8.8342 126.9930 59.1243 41.5089 174.1077 90 V 4.7762 8.7686 128.1371 61.2146 34.2412 173.8722 91 L 5.1753 8.6674 128.3378 52.8212 44.2575 175.5404 92 K 4.8837 9.6064 125.9365 53.6225 35.3551 173.7037 93 P 4.6436 0.0000 0.0000 63.0761 32.1656 175.4354 94 A 4.7965 8.5554 122.2816 50.0503 21.9799 176.1321 95 A 4.1268 8.6414 123.5648 51.1595 19.2677 175.5290 96 P 5.2051 0.0000 0.0000 63.2036 31.9098 175.9008 97 G 4.1633 8.8685 107.8113 46.2868 0.0000 175.2058 98 T 3.7781 7.0797 114.6814 66.6641 68.9145 174.8343 99 G 3.8582 9.2134 106.3753 43.3163 0.0000 172.1625 100 V 4.3797 7.7982 118.1453 61.5036 31.0517 175.1098 101 I 4.2246 8.3583 126.5156 60.5816 37.3847 174.4070 102 A 4.4022 8.0169 126.6564 50.8248 22.0866 175.9488 103 G 3.6769 8.4401 107.8512 45.0249 0.0000 174.6285 104 A 4.0192 8.7196 122.3057 55.3033 17.9732 180.4484 105 V 3.4637 7.6464 115.9127 65.7433 31.8046 176.2034 106 P 4.2164 0.0000 0.0000 66.0434 31.1302 177.8887 107 R 3.8186 8.6094 117.4845 58.8939 29.8846 178.0147 108 A 3.9693 8.1465 119.5906 55.5367 18.6399 179.6375 109 I 3.5577 7.4637 117.8681 64.5571 37.1921 178.4682 110 L 3.9638 8.2830 119.9991 57.9865 41.3231 179.5639 111 E 4.1060 8.8405 118.5689 59.5983 29.5511 179.4788 112 L 3.6563 7.9069 117.9337 56.8250 41.5248 178.4726 113 A 4.3531 7.8673 119.9872 51.7842 18.5323 177.6794 114 G 3.8175 8.8868 105.7668 47.1037 0.0000 173.7680 115 V 4.2570 7.7322 118.7470 61.2369 32.9218 175.2826 116 T 4.4846 9.5093 120.1808 61.8143 69.0758 172.8821 117 D 5.0044 7.6844 120.3709 52.9368 44.7199 174.2595 118 I 4.4261 9.0849 122.1044 60.0881 42.2670 172.6792 119 L 4.9520 9.4231 129.2910 53.5944 43.6126 175.7972 120 T 5.2230 7.9590 117.7755 62.1051 73.1091 173.3878 121 K 4.3459 8.7184 121.2911 55.8320 36.3520 173.7650 122 E 4.9187 8.9030 127.4379 55.3443 30.7104 175.4614 123 L 4.6870 9.0129 124.1301 53.5098 45.8955 177.4977 124 G 3.8698 8.8030 107.3857 46.1236 0.0000 174.3396 125 S 4.2013 9.7918 119.1467 58.5417 62.5691 174.6729 126 R 4.5300 8.4264 127.1863 56.3302 30.4117 176.4236 127 N 4.2864 7.8879 118.0726 53.1953 39.6088 172.3190 128 P 4.0914 0.0000 0.0000 66.5668 31.0763 177.9856 129 I 3.1243 7.5954 119.5607 63.8114 36.9894 178.0073 130 N 4.7805 8.7025 116.8984 55.9737 38.3555 177.8000 131 I 3.7481 8.2177 121.8132 64.2008 37.1261 178.0380 132 A 3.8882 8.4297 121.9669 55.5676 18.2710 179.3680 133 Y 4.1164 7.7492 114.8149 60.7275 37.7200 178.4136 134 A 3.9590 7.8444 121.9923 55.3092 18.5185 179.5532 135 T 3.7895 8.4180 114.6065 67.3055 68.5468 176.4873 136 M 3.9968 7.7200 120.0885 58.5360 31.7408 178.5224 137 E 3.9051 7.8221 117.7195 58.9734 30.0542 178.4519 138 A 4.1465 8.0653 120.9115 55.1699 18.5204 179.3566 139 L 3.8355 7.9875 117.4296 58.1857 41.5771 179.6401 140 R 4.1007 8.0916 117.7670 59.5191 29.9452 177.5210 141 Q 4.4340 7.6948 115.1811 55.1324 29.2044 175.8627 142 L 3.9555 7.8676 121.5833 55.1702 41.7744 177.0690 143 R 4.5612 8.4745 122.4766 54.9670 32.6041 175.3569 144 T 4.6995 8.1466 111.7822 59.2098 71.7869 174.0976 145 K 3.8182 8.6415 124.5304 59.7954 31.9134 178.4116 146 A 3.9679 8.0019 120.0401 55.3350 18.3360 178.8296 147 D 4.6379 8.0706 116.7317 57.6844 40.9400 179.0446 148 V 3.5189 8.4420 118.6922 66.0776 31.3175 177.2012 149 E 3.8739 8.3602 117.8816 59.6542 29.5643 178.5775 150 R 4.0178 8.9158 119.4181 59.4339 29.9049 178.2126 151 L 3.9876 8.2283 119.3730 57.7199 42.1978 178.1891 152 R 4.4041 8.2546 115.2001 56.1687 30.3327 178.1768 153 K 4.1238 7.5224 120.2356 58.1272 33.4963 176.5000 154 G 3.4245 7.9243 106.6861 46.4364 0.0000 173.7883 *155 E 4.1319 7.8203 116.8016 56.2901 30.4399 177.4711 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 5 D 8.22 4.66 0.00 2.49 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 6 F 9.43 5.16 0.00 2.99 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 7 E 10.69 4.81 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 8 E 8.74 5.16 0.00 1.87 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 2.34 0.00 9 K 9.55 4.54 0.00 1.60 1.65 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 10 M 8.68 4.54 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 11 I 8.48 4.01 1.96 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 1.26 0.86 0.85 0.00 0.00 12 L 7.35 4.59 0.00 1.63 1.70 0.87 0.59 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 13 I 8.49 5.43 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.97 0.00 0.00 14 R 9.25 4.74 0.00 1.88 2.07 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 R 8.46 4.53 0.00 1.63 1.65 0.00 3.10 0.00 0.00 2.45 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 16 T 8.18 4.42 4.26 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 1.25 0.00 0.00 17 A 8.35 5.00 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 18 R 8.76 4.65 0.00 1.82 1.82 0.00 3.04 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 19 M 8.48 4.87 0.00 1.89 1.92 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 2.49 2.45 0.00 20 Q 8.56 4.46 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 21 A 8.19 4.25 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 22 G 8.62 4.39 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 0.00 23 G 6.61 3.80 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 0.00 0.00 0.00 24 R 8.05 4.36 0.00 1.02 1.42 0.00 3.28 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 25 R 8.93 4.24 0.00 1.55 1.75 0.00 3.22 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 26 F 8.35 5.31 0.00 2.93 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 27 R 8.05 4.74 0.00 1.84 1.69 0.00 3.04 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 28 F 9.58 5.09 0.00 3.12 2.93 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 29 G 9.21 4.39 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 0.00 30 A 9.13 5.39 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 31 L 9.01 5.26 0.00 1.80 1.54 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.38 4.86 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 0.96 0.00 0.00 0.99 0.00 0.00 33 V 9.29 4.76 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 0.81 0.00 0.00 0.90 0.00 0.00 34 V 8.12 5.28 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 0.91 0.00 0.00 0.91 0.00 0.00 35 G 8.39 4.97 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 36 D 8.64 4.96 0.00 2.93 3.29 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 37 R 8.19 4.08 0.00 2.12 2.11 0.00 3.11 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 38 Q 10.43 4.47 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 39 G 8.53 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 40 R 8.33 5.12 0.00 2.26 1.88 0.00 3.16 0.00 0.00 3.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 41 V 8.60 4.90 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 0.84 0.00 0.00 0.89 0.00 0.00 42 G 8.82 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.60 5.28 0.00 1.71 1.55 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.02 4.52 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 0.00 0.00 0.00 45 F 9.21 5.59 0.00 2.91 3.07 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 46 G 9.13 4.39 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 0.00 47 K 8.18 5.27 0.00 1.50 1.70 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.81 7.81 48 A 8.79 4.66 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 49 P 0.00 4.64 0.00 2.28 2.28 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 50 E 7.78 4.45 0.00 1.93 1.71 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 2.19 2.30 0.00 51 V 7.58 3.30 1.79 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 0.91 0.00 0.00 0.37 0.00 0.00 52 P 0.00 4.15 0.00 2.13 2.06 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 53 L 7.97 3.86 0.00 1.79 1.74 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.27 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.22 3.50 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 1.08 0.00 0.00 0.97 0.00 0.00 56 Q 8.80 3.92 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 57 K 8.72 3.86 0.00 2.12 2.04 0.00 2.01 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.51 7.81 58 A 8.65 4.31 1.62 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 0.00 0.00 59 G 8.31 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 60 Y 7.63 4.16 0.00 2.78 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 61 Y 7.74 3.98 0.00 3.24 2.93 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 62 A 8.70 4.45 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.86 3.96 0.00 2.00 2.09 0.00 3.57 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 64 R 7.16 4.22 0.00 1.83 1.89 0.00 2.28 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 65 N 8.40 4.07 0.00 2.98 2.99 0.00 0.00 6.74 7.65 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 66 M 7.57 4.91 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 67 V 9.14 4.33 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 0.94 0.00 0.00 0.90 0.00 0.00 68 E 8.76 4.47 0.00 2.00 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 2.23 2.36 0.00 69 V 8.47 3.70 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 0.78 0.00 0.00 0.91 0.00 0.00 70 P 0.00 4.65 0.00 2.05 1.99 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 71 L 7.57 4.35 0.00 1.63 1.60 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.36 4.49 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.24 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 73 N 7.87 4.35 0.00 2.82 3.08 0.00 0.00 7.59 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.86 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 75 T 7.69 5.25 4.36 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 1.26 0.00 0.00 76 I 7.90 4.66 1.82 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 1.46 0.87 0.89 0.00 0.00 77 P 0.00 4.37 0.00 2.13 2.19 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 78 H 7.40 4.71 0.00 3.18 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.02 5.31 0.00 1.85 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 2.23 2.20 0.00 80 I 8.33 4.75 1.90 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 1.43 0.75 0.96 0.00 0.00 81 E 8.73 5.03 0.00 1.95 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 2.18 2.28 0.00 82 V 8.71 4.50 2.11 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 1.08 0.00 0.00 0.95 0.00 0.00 83 E 8.94 4.96 0.00 1.90 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 2.24 2.29 0.00 84 F 9.80 4.65 0.00 3.06 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 85 G 8.07 3.63 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 86 A 8.81 4.67 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 87 S 8.12 5.08 0.00 4.07 3.81 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 88 K 9.31 5.07 0.00 1.75 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.83 4.93 1.89 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 1.60 0.92 0.00 0.00 90 V 8.77 4.78 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 91 L 8.67 5.18 0.00 1.65 1.54 0.92 0.39 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 92 K 9.61 4.88 0.00 1.69 1.68 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.64 0.00 2.12 2.22 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 94 A 8.56 4.80 1.19 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 0.00 0.00 0.00 95 A 8.64 4.13 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 96 P 0.00 5.21 0.00 2.05 2.01 0.00 3.73 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 97 G 8.87 4.16 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 0.00 0.00 0.00 98 T 7.08 3.78 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 1.21 0.00 0.00 99 G 9.21 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 0.00 100 V 7.80 4.38 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 0.83 0.00 0.00 0.98 0.00 0.00 101 I 8.36 4.22 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 1.16 1.00 0.91 0.00 0.00 102 A 8.02 4.40 1.16 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 0.00 0.00 103 G 8.44 3.68 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 0.00 0.00 0.00 104 A 8.72 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.65 3.46 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 1.01 0.00 0.00 0.88 0.00 0.00 106 P 0.00 4.22 0.00 2.18 2.08 0.00 3.84 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 2.10 2.13 0.00 107 R 8.61 3.82 0.00 1.82 2.10 0.00 3.13 0.00 0.00 3.16 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 108 A 8.15 3.97 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 0.00 109 I 7.46 3.56 2.00 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 1.48 1.17 0.88 0.00 0.00 110 L 8.28 3.96 0.00 1.82 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.84 4.11 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 2.32 2.49 0.00 112 L 7.91 3.66 0.00 1.67 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.87 4.35 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 0.00 114 G 8.89 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 0.00 115 V 7.73 4.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 116 T 9.51 4.48 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 1.23 0.00 0.00 117 D 7.68 5.00 0.00 2.61 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 0.00 118 I 9.08 4.43 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 1.28 1.18 0.91 0.00 0.00 119 L 9.42 4.95 0.00 1.63 1.55 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.96 5.22 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 0.00 121 K 8.72 4.35 0.00 1.84 1.60 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.43 7.81 122 E 8.90 4.92 0.00 1.88 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 2.26 2.32 0.00 123 L 9.01 4.69 0.00 1.51 1.51 0.92 0.81 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 0.00 124 G 8.80 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 0.00 125 S 9.79 4.20 0.00 3.87 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 0.00 126 R 8.43 4.53 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 127 N 7.89 4.29 0.00 2.69 2.71 0.00 0.00 6.96 8.10 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 0.00 128 P 0.00 4.09 0.00 2.18 2.25 0.00 3.73 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 1.99 2.04 0.00 129 I 7.60 3.12 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.25 0.19 0.00 0.00 130 N 8.70 4.78 0.00 2.91 3.09 0.00 0.00 7.08 8.30 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 0.00 131 I 8.22 3.75 2.01 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 1.61 1.29 0.93 0.00 0.00 132 A 8.43 3.89 1.11 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 0.00 0.00 133 Y 7.75 4.12 0.00 2.58 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 0.00 134 A 7.84 3.96 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 0.00 135 T 8.42 3.79 4.34 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 1.19 0.00 0.00 136 M 7.72 4.00 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 137 E 7.82 3.91 0.00 2.17 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 2.25 2.52 0.00 138 A 8.07 4.15 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 0.00 139 L 7.99 3.84 0.00 1.84 1.71 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.09 4.10 0.00 1.81 2.20 0.00 3.46 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 Q 7.69 4.43 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 142 L 7.87 3.96 0.00 1.63 1.55 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.47 4.56 0.00 1.85 1.89 0.00 3.32 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 144 T 8.15 4.70 4.47 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 1.28 0.00 0.00 145 K 8.64 3.82 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 146 A 8.00 3.97 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 0.00 147 D 8.07 4.64 0.00 3.00 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 0.00 148 V 8.44 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 149 E 8.36 3.87 0.00 2.22 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 2.34 2.35 0.00 150 R 8.92 4.02 0.00 1.89 2.10 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 151 L 8.23 3.99 0.00 1.96 1.71 0.93 0.99 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 0.00 152 R 8.25 4.40 0.00 1.77 1.94 0.00 3.22 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 153 K 7.52 4.12 0.00 1.82 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.77 1.60 7.81 154 G 7.92 3.42 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 0.00 *155 E 7.82 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.