NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4083 8.0333 110.9613 60.9620 70.1467 172.9348 3 L 3.7529 8.2802 123.7365 53.8503 42.1326 175.2022 4 H 4.2091 9.3601 124.9980 55.4984 30.9518 175.4076 5 K 3.7755 8.6904 129.0956 58.9969 31.9674 176.6958 6 E 4.6576 8.1967 113.5742 56.0412 30.1508 175.8216 7 R 4.9678 8.2957 118.9815 56.0159 31.4040 175.8634 8 R 3.9928 7.9803 118.8211 55.6134 28.9230 175.9039 9 I 3.2441 8.2954 124.3647 63.8919 38.0835 177.3549 10 G 3.4547 7.8503 105.7077 47.8337 0.0000 175.3943 11 R 3.8575 7.8516 121.5679 58.8904 30.0757 178.3659 12 L 3.8526 8.0147 119.1393 57.7833 41.6696 179.7253 13 S 4.0691 7.8956 114.2046 61.1471 62.8063 176.8565 14 V 3.5930 7.6723 121.7100 65.8405 31.0025 177.9578 15 L 3.9259 7.9746 118.8470 57.7453 41.2083 179.3163 16 L 4.2187 7.5424 120.5903 57.5723 42.0929 178.5296 17 L 4.1154 7.5246 118.8808 57.5704 42.1332 177.9072 18 L 4.4894 7.9317 116.4409 53.9512 42.6443 176.8962 19 N 4.7793 7.4293 116.2185 51.5934 39.8806 177.3081 20 E 3.2445 8.7087 119.0121 57.5788 31.9738 177.2094 *25 T 4.2267 8.2247 113.7076 62.9135 70.8496 175.6381 26 Q 4.0343 8.3866 126.5211 59.1696 30.0271 177.3057 27 V 3.6156 7.6745 119.0146 66.0323 31.6731 177.6320 28 E 4.0263 8.1835 117.8328 59.4375 29.4597 178.8989 29 E 3.9785 8.1988 119.3187 59.1792 29.7306 178.8389 30 L 4.1794 8.3123 119.4356 58.0296 41.6581 179.3779 31 E 4.7784 8.7252 120.2110 59.1284 29.1478 179.6882 32 R 3.9911 7.9905 117.3148 58.9469 30.1807 177.8773 33 D 4.7157 7.7926 115.8516 54.4743 41.0561 177.1771 34 G 3.8555 8.1672 108.5393 44.7134 0.0000 173.8709 35 W 4.7332 8.2127 119.7753 56.1159 31.1122 175.3559 36 K 4.9599 9.1740 122.0620 54.9367 33.6054 175.7225 37 V 5.4878 8.6101 123.8721 60.5631 35.4095 174.0407 38 C 4.8419 8.4053 117.3461 57.2074 32.5963 172.5343 39 L 5.1186 8.4521 121.3292 53.3835 44.7651 175.5478 40 G 3.4422 7.6525 107.9661 45.3109 0.0000 171.5767 41 K 5.2177 7.9903 117.8431 55.5454 35.6057 176.0625 42 V 4.5860 8.9974 121.2620 60.7458 35.0445 172.9287 43 G 4.4272 8.2633 109.3770 44.8241 0.0000 171.2572 44 S 4.6250 8.5586 116.7509 58.3797 66.9560 176.1094 45 M 4.4477 8.2994 119.2946 54.8174 32.7733 175.1061 46 D 5.0717 8.1429 120.2207 51.8828 43.0966 176.6292 47 A 3.9935 8.7123 127.3778 55.4189 18.2779 178.7358 48 H 4.1946 8.1860 113.1053 58.7988 28.5013 177.8843 49 K 3.9819 7.7195 121.1609 58.9418 31.8837 179.5750 50 V 3.5172 7.4721 118.2510 65.9248 31.6247 177.8797 51 I 3.5475 7.7814 119.3092 64.3945 36.9804 178.2109 52 A 3.9998 8.3426 121.5960 55.1416 18.1426 179.5050 53 A 3.9840 8.0228 119.1705 55.4008 18.4724 179.9825 54 I 2.9062 7.2847 118.0699 64.0505 37.0530 178.3776 55 E 3.8878 8.1389 120.0706 59.7322 29.6693 178.9563 56 T 3.8863 8.3624 115.9908 66.6462 68.4567 176.5296 57 A 4.1511 8.3859 122.8483 55.2008 18.4342 179.9177 58 S 4.1926 8.2680 113.8388 61.5959 62.4757 176.9306 59 K 4.2662 8.3462 121.2313 58.9704 31.6980 179.4673 60 K 4.1645 7.9122 117.7621 58.6538 32.2093 177.9877 61 S 4.3640 8.1030 111.5269 58.1529 63.4818 175.0241 62 G 3.9267 7.7217 108.1400 46.1420 0.0000 175.0080 63 V 3.8234 8.0075 121.7956 64.7124 31.7211 176.3368 64 I 4.8662 7.2817 110.3801 58.4594 40.5614 174.7990 65 Q 4.1627 10.0785 122.6821 56.1944 28.9679 177.2555 66 S 4.3460 8.6253 116.3307 60.0560 63.8520 174.2052 67 E 4.3460 8.0271 119.9845 56.0191 30.6300 176.5969 68 G 3.9988 8.6387 108.5084 46.2241 0.0000 172.8723 69 Y 4.7096 8.2107 116.9967 59.4855 39.7433 177.2548 70 R 3.5839 7.7952 118.8310 59.8152 30.4612 177.8700 71 E 3.9986 8.0764 117.7447 59.2897 29.5353 179.4482 72 S 4.1710 7.9602 115.0254 61.5922 63.0544 175.9760 73 H 3.8372 8.3538 121.2107 58.9980 29.5697 177.1905 74 A 3.8889 7.8041 122.6282 55.0751 18.1083 179.4150 75 L 3.8968 8.0342 118.8812 58.2158 42.0664 178.4243 76 Y 3.9616 8.2089 119.7349 61.2434 38.7743 178.0679 77 H 4.0228 8.1985 116.4197 58.5619 28.7513 177.7374 78 A 4.0368 7.9859 122.7924 55.3712 18.1105 179.8512 79 T 3.7611 8.1226 114.6746 66.8415 68.2359 176.8138 80 M 3.8143 7.6808 119.9082 58.4711 32.1306 178.3706 81 E 4.1814 8.2881 118.3845 59.3770 29.7331 179.3258 82 A 4.0454 8.1371 120.8623 55.0986 18.4507 179.6855 83 L 4.0072 8.1887 117.5205 57.9199 41.4862 179.3786 84 H 4.3096 7.9915 116.8561 58.7794 28.3718 177.9773 85 G 3.6529 8.0255 106.2909 47.5724 0.0000 175.5649 86 V 4.3509 7.8697 120.9320 65.2354 31.9253 177.4964 87 T 4.1399 8.5995 109.2173 61.3517 70.0709 174.5213 88 R 3.8587 9.1379 120.2572 56.5094 28.1129 174.5311 89 G 3.8609 7.7505 110.9539 45.5688 0.0000 173.2027 90 E 4.5186 7.8623 120.0235 54.3087 32.4488 176.6964 91 M 4.4191 8.3817 127.3871 53.9443 31.2113 175.5736 92 L 4.8811 7.2962 118.2036 52.9620 46.6067 174.9006 93 L 4.4384 8.1719 118.7862 55.1165 44.5497 178.7529 94 G 3.7537 7.3372 112.2786 49.1395 0.0000 175.9694 95 S 4.1428 8.1030 113.0146 60.1596 63.1217 174.6822 96 L 4.5665 7.7116 120.3925 53.9051 41.8557 175.8506 97 L 3.6628 7.9380 118.2374 55.9273 40.8598 173.9496 98 R 4.9731 7.6785 110.7826 54.7799 33.1625 174.3969 99 T 4.7828 8.9081 114.0684 60.5007 71.5421 172.8233 100 V 4.9158 8.6206 117.8836 59.4228 36.2322 175.0708 101 G 4.2856 9.0144 111.0465 44.5981 0.0000 171.7749 102 L 5.3686 9.2161 125.8627 52.5476 46.3672 175.6579 103 R 5.0368 8.8633 121.0587 54.5939 33.2520 174.3678 104 F 5.6973 8.8295 119.4937 55.3420 42.1129 173.1803 105 A 5.2667 9.1913 120.4401 50.3993 23.0963 175.2262 106 V 4.8801 8.8426 120.7010 61.0090 34.7339 174.0241 107 L 5.3271 9.0180 129.6311 53.2536 45.3614 174.8872 108 R 5.2446 10.2150 125.9171 53.8532 33.5453 174.7817 109 G 3.9725 8.4543 112.3600 46.5682 0.0000 170.2274 110 N 5.5198 8.0355 119.2817 51.6318 39.3769 173.1101 111 P 5.0875 0.0000 0.0000 62.8231 32.2028 175.4178 112 Y 4.7934 8.4221 117.3657 56.6172 39.4930 175.6647 113 E 4.1477 8.9731 121.6944 58.9916 29.9944 177.8177 114 S 4.4695 8.0083 114.3787 56.9636 62.9579 174.2214 115 E 4.0574 8.8346 128.4801 58.4638 29.6412 177.9005 116 A 4.1906 7.5259 120.2340 54.3175 18.5830 178.2683 117 E 4.0673 8.2204 114.8950 56.8498 29.9523 178.5820 118 G 3.9805 7.5089 107.7722 44.9164 0.0000 172.5443 119 D 5.0951 8.3474 117.6536 53.8900 42.6255 175.8472 120 W 5.3613 9.5191 121.1165 54.9998 34.0112 173.9841 121 I 5.4033 9.6248 120.8647 59.3807 41.3128 173.7079 122 A 5.2541 9.2489 129.8553 50.1084 22.2439 174.9222 123 V 4.7495 8.9016 122.3834 61.2184 34.1901 174.5023 124 S 5.3464 9.3028 124.1465 56.7432 66.4415 173.1675 125 L 5.4425 9.3287 123.2720 53.3050 45.5533 175.0170 126 Y 4.8176 8.5764 123.1809 55.4048 42.3747 174.1951 127 G 3.7136 6.4695 114.4577 46.2382 0.0000 171.7914 128 T 5.0109 7.8511 112.9206 59.8359 72.7017 173.4241 129 I 4.8566 8.4349 122.5561 59.6481 41.9672 174.7957 130 G 4.2401 8.0894 112.7076 46.2286 0.0000 172.3911 131 A 4.7499 8.4471 122.1729 50.4080 19.1632 177.4522 132 P 4.5777 0.0000 0.0000 61.1693 29.9170 176.2354 133 I 4.4542 6.9714 120.7462 60.2280 41.7877 174.8133 134 K 3.9634 8.5137 126.8726 57.8189 32.7005 174.8432 135 G 4.1926 8.9209 113.6088 45.8081 0.0000 174.3821 136 L 4.5539 7.4190 121.4263 52.4320 39.6528 175.5866 137 E 5.0827 7.6426 117.8720 55.7842 33.0786 174.6024 138 H 5.0758 8.7303 115.1538 53.8014 32.6854 172.5185 139 E 4.6820 8.8259 117.9075 57.0536 30.3332 176.4970 140 T 4.9590 8.6173 115.2312 61.0501 71.2590 172.5383 141 F 5.5035 8.8644 124.2198 56.3683 43.7149 174.2418 142 G 4.5739 8.8271 105.6354 46.3550 0.0000 172.5385 143 V 5.0564 8.6035 123.7691 60.9928 34.6111 174.5414 144 G 4.3564 9.2733 114.7419 44.4775 0.0000 171.6597 145 I 5.3756 8.3924 123.3273 59.5586 40.7784 174.1602 146 N 5.2108 9.4182 123.8023 52.5120 42.8775 173.0290 147 H 3.7421 8.0772 118.0232 54.5420 30.2349 175.2270 148 I 4.0034 7.6957 119.5041 61.4390 36.9299 175.6483 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 T 8.03 4.41 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 1.24 0.00 0.00 3 L 8.28 3.75 0.00 1.61 1.44 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.36 4.21 0.00 3.16 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.69 3.78 0.00 1.68 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.36 7.81 6 E 8.20 4.66 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 7 R 8.30 4.97 0.00 1.94 2.24 0.00 2.98 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 8 R 7.98 3.99 0.00 1.79 1.82 0.00 3.09 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 9 I 8.30 3.24 2.07 0.00 0.00 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 1.54 1.11 0.94 0.00 0.00 10 G 7.85 3.45 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 0.00 0.00 0.00 11 R 7.85 3.86 0.00 1.83 2.00 0.00 3.14 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 1.63 1.67 0.00 12 L 8.01 3.85 0.00 1.46 1.34 0.49 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.90 4.07 0.00 4.04 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 14 V 7.67 3.59 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 1.15 0.00 0.00 1.04 0.00 0.00 15 L 7.97 3.93 0.00 1.80 1.65 0.87 0.31 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 16 L 7.54 4.22 0.00 1.64 1.81 0.88 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 17 L 7.52 4.12 0.00 1.88 1.87 0.93 1.09 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 18 L 7.93 4.49 0.00 1.55 1.55 0.94 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.43 4.78 0.00 2.67 2.69 0.00 0.00 7.17 7.54 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 20 E 8.71 3.24 0.00 2.12 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 2.19 2.29 0.00 *25 T 8.22 4.23 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 26 Q 8.39 4.03 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 27 V 7.67 3.62 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 0.99 0.00 0.00 0.92 0.00 0.00 28 E 8.18 4.03 0.00 2.21 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 2.42 2.44 0.00 29 E 8.20 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 30 L 8.31 4.18 0.00 1.92 1.78 0.80 0.62 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 31 E 8.73 4.78 0.00 2.15 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 2.41 2.54 0.00 32 R 7.99 3.99 0.00 2.02 2.03 0.00 3.18 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 33 D 7.79 4.72 0.00 3.20 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 34 G 8.17 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 35 W 8.21 4.73 0.00 3.39 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 36 K 9.17 4.96 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 37 V 8.61 5.49 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 1.05 0.00 0.00 1.01 0.00 0.00 38 C 8.41 4.84 0.00 3.06 3.03 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 0.00 39 L 8.45 5.12 0.00 1.41 1.41 0.87 0.81 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 40 G 7.65 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.99 5.22 0.00 1.72 1.61 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.39 7.81 42 V 9.00 4.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 43 G 8.26 4.43 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 0.00 44 S 8.56 4.62 0.00 3.82 3.62 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 45 M 8.30 4.45 0.00 2.07 2.00 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 2.56 2.65 0.00 46 D 8.14 5.07 0.00 2.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.71 3.99 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 48 H 8.19 4.19 0.00 3.37 3.60 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.72 3.98 0.00 1.91 1.85 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.12 7.81 50 V 7.47 3.52 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 0.98 0.00 0.00 0.89 0.00 0.00 51 I 7.78 3.55 2.04 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 1.33 0.85 0.98 0.00 0.00 52 A 8.34 4.00 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 53 A 8.02 3.98 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 0.00 0.00 54 I 7.28 2.91 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.12 0.66 0.00 0.00 55 E 8.14 3.89 0.00 2.06 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 2.33 2.39 0.00 56 T 8.36 3.89 4.29 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 1.24 0.00 0.00 57 A 8.39 4.15 1.61 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 58 S 8.27 4.19 0.00 4.11 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 59 K 8.35 4.27 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 60 K 7.91 4.16 0.00 1.87 1.90 0.00 1.61 0.00 0.00 2.11 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.44 7.81 61 S 8.10 4.36 0.00 4.04 4.06 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 62 G 7.72 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 63 V 8.01 3.82 2.27 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 0.89 0.00 0.00 1.01 0.00 0.00 64 I 7.28 4.87 1.89 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 1.45 0.87 0.94 0.00 0.00 65 Q 10.08 4.16 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 66 S 8.63 4.35 0.00 4.00 4.01 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 67 E 8.03 4.35 0.00 1.99 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 2.27 2.31 0.00 68 G 8.64 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 69 Y 8.21 4.71 0.00 2.93 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 70 R 7.80 3.58 0.00 1.90 1.88 0.00 3.20 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 71 E 8.08 4.00 0.00 2.05 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 2.37 2.38 0.00 72 S 7.96 4.17 0.00 4.09 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 73 H 8.35 3.84 0.00 1.83 3.05 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.80 3.89 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 75 L 8.03 3.90 0.00 1.79 1.83 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.21 3.96 0.00 3.15 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 77 H 8.20 4.02 0.00 3.20 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.99 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.12 3.76 4.14 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 0.00 0.00 0.00 1.04 0.00 0.00 80 M 7.68 3.81 0.00 1.85 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 81 E 8.29 4.18 0.00 2.18 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 2.38 2.55 0.00 82 A 8.14 4.05 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 83 L 8.19 4.01 0.00 1.76 1.65 0.80 1.17 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 84 H 7.99 4.31 0.00 3.36 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.03 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.87 4.35 2.20 0.00 0.00 0.00 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 1.00 0.00 0.00 87 T 8.60 4.14 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 1.19 0.00 0.00 88 R 9.14 3.86 0.00 1.95 2.02 0.00 3.19 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 89 G 7.75 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 90 E 7.86 4.52 0.00 1.92 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 2.20 2.20 0.00 91 M 8.38 4.42 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 92 L 7.30 4.88 0.00 1.61 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.17 4.44 0.00 1.81 1.54 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.34 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.10 4.14 0.00 3.99 4.02 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 96 L 7.71 4.57 0.00 1.75 1.68 0.92 0.80 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 97 L 7.94 3.66 0.00 1.70 1.68 0.92 0.96 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 98 R 7.68 4.97 0.00 1.89 1.80 0.00 3.01 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 99 T 8.91 4.78 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 1.24 0.00 0.00 100 V 8.62 4.92 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 0.60 0.00 0.00 0.96 0.00 0.00 101 G 9.01 4.29 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 0.00 102 L 9.22 5.37 0.00 1.67 1.55 0.91 0.50 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 0.00 103 R 8.86 5.04 0.00 1.79 1.88 0.00 3.02 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 104 F 8.83 5.70 0.00 3.12 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 0.00 105 A 9.19 5.27 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 0.00 106 V 8.84 4.88 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 1.04 0.00 0.00 107 L 9.02 5.33 0.00 1.71 1.41 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.21 5.24 0.00 1.96 1.85 0.00 3.51 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 109 G 8.45 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 0.00 110 N 8.04 5.52 0.00 2.89 2.69 0.00 0.00 6.90 7.69 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 0.00 111 P 0.00 5.09 0.00 1.91 2.37 0.00 4.03 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 112 Y 8.42 4.79 0.00 3.02 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 0.00 113 E 8.97 4.15 0.00 2.01 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 2.41 2.58 0.00 114 S 8.01 4.47 0.00 3.88 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 0.00 115 E 8.83 4.06 0.00 2.01 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 2.36 2.24 0.00 116 A 7.53 4.19 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 0.00 117 E 8.22 4.07 0.00 2.34 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 0.00 2.36 1.90 0.00 118 G 7.51 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 0.00 119 D 8.35 5.10 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.52 5.36 0.00 3.51 3.38 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 0.00 121 I 9.62 5.40 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.02 0.97 0.00 0.00 122 A 9.25 5.25 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 0.00 123 V 8.90 4.75 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 1.02 0.00 0.00 0.92 0.00 0.00 124 S 9.30 5.35 0.00 3.81 3.77 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 0.00 0.00 0.00 125 L 9.33 5.44 0.00 1.54 1.53 0.90 0.61 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 0.00 126 Y 8.58 4.82 0.00 2.72 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 0.00 127 G 6.47 3.71 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 0.00 0.00 0.00 128 T 7.85 5.01 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 1.08 0.00 0.00 129 I 8.43 4.86 1.81 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 1.10 1.58 0.79 0.00 0.00 130 G 8.09 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 0.00 131 A 8.45 4.75 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 0.00 132 P 0.00 4.58 0.00 2.18 2.09 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 133 I 6.97 4.45 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 1.29 0.50 0.90 0.00 0.00 134 K 8.51 3.96 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 G 8.92 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 0.00 0.00 0.00 0.00 136 L 7.42 4.55 0.00 1.59 1.63 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.64 5.08 0.00 1.98 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 2.33 2.26 0.00 138 H 8.73 5.08 0.00 3.23 3.43 0.00 5.46 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 0.00 139 E 8.83 4.68 0.00 2.11 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 0.00 2.40 2.39 0.00 140 T 8.62 4.96 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 1.12 0.00 0.00 141 F 8.86 5.50 0.00 2.84 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 0.00 142 G 8.83 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.60 5.06 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 0.86 0.00 0.00 1.01 0.00 0.00 144 G 9.27 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 0.00 0.00 0.00 0.00 145 I 8.39 5.38 2.01 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 1.33 0.79 1.22 0.00 0.00 146 N 9.42 5.21 0.00 2.80 2.55 0.00 0.00 6.72 8.56 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 0.00 147 H 8.08 3.74 0.00 2.18 1.31 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.70 4.00 1.95 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 1.05 0.94 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.