NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5939 8.4645 119.5577 53.3132 41.5823 174.4217 *3 Q 4.5730 8.1755 114.0451 53.9278 30.8883 170.1976 4 L 4.4990 8.1393 118.3141 55.1653 43.0754 177.9402 5 T 4.2539 9.0159 117.7452 61.9747 70.6782 175.9325 *6 E 4.0990 8.7137 120.4282 60.7208 29.7646 179.4257 7 E 4.3762 8.0720 116.3321 59.2686 29.9760 178.6005 8 Q 4.0140 8.5522 118.7480 58.9220 28.8170 178.6099 9 I 4.0348 7.8722 120.2245 64.4463 37.0586 178.0458 10 A 4.0349 7.8199 121.4485 55.4105 18.1661 179.6269 11 E 3.9038 8.0474 116.5480 59.7368 29.5324 179.6272 12 F 4.5313 8.3693 117.8238 60.5769 38.7564 177.5768 13 K 3.1650 8.7243 118.9166 59.2767 31.9803 178.4361 14 E 4.1267 8.0047 118.8988 59.1098 29.4086 178.8337 15 A 4.1534 8.2639 120.8825 55.4125 18.5481 179.4846 16 F 4.0464 9.2000 119.5552 61.1521 39.1151 177.3011 17 S 4.1194 7.7875 113.1580 60.8790 62.7750 175.9403 18 L 4.1058 8.0020 122.3669 56.8840 41.4635 178.9580 19 F 4.0961 7.8744 116.9283 59.5934 40.8407 176.7180 20 D 4.4802 7.2496 120.1169 52.8104 37.7926 176.6152 21 K 3.9480 7.7212 122.3735 59.0487 32.8197 178.2024 22 D 4.4623 8.1195 114.7079 53.1261 39.2313 176.5057 23 G 3.9522 7.8741 106.7069 46.5531 0.0000 174.4870 24 D 4.4144 8.3079 117.9275 53.8737 39.7433 177.5643 25 G 4.1627 9.4161 109.8959 45.5498 0.0000 172.8209 26 T 5.3072 9.0822 109.7691 59.7840 71.7739 173.3477 27 I 5.2795 9.4003 116.4385 58.4002 41.5248 173.8278 28 T 5.1957 9.0011 112.7188 59.2439 72.3008 174.8520 29 T 3.9936 8.8899 114.3586 65.2696 68.2809 176.9708 30 K 3.9446 7.9111 126.3957 60.1184 31.6783 183.7606 31 E 4.2835 7.9976 119.7199 58.8491 29.2637 179.6122 32 L 4.4960 7.9855 119.2204 57.7076 41.7331 179.5032 33 G 3.6245 8.2472 105.7994 47.9341 0.0000 175.9375 34 T 3.8396 7.8461 118.2924 66.3133 68.3762 176.7835 35 V 3.3499 7.5141 119.5217 66.2776 31.5183 177.7054 36 M 4.0752 7.8183 117.9190 58.8032 31.8795 179.1419 37 R 4.4792 8.6404 119.8719 58.6765 30.0010 179.2225 38 S 4.2271 8.0469 113.1883 60.2985 62.8415 175.5023 39 L 4.6084 7.4437 121.4141 54.1891 42.4636 177.4317 40 G 3.9343 8.1190 108.0005 45.3239 0.0000 174.5689 41 Q 4.3913 7.9603 119.0111 55.5538 30.2158 175.1779 42 N 5.4052 8.1333 114.2430 51.7545 39.2832 173.2402 43 P 4.6436 0.0000 0.0000 62.7590 33.0282 176.9156 44 T 4.5359 8.2505 110.4674 60.2748 71.9805 175.4148 45 E 3.8770 8.7094 122.0423 59.5762 29.4997 179.0468 46 A 4.0049 7.9359 120.1863 55.2982 18.5058 179.3546 47 E 3.9773 8.2427 117.1257 59.3937 29.4898 179.6515 48 L 4.0307 8.2595 119.4342 57.8107 41.7674 179.2416 49 Q 4.0235 8.5337 119.9000 58.9214 28.6428 178.0300 50 D 4.2542 7.6124 118.2408 57.6432 41.5323 177.7878 51 M 4.1846 7.8494 118.8309 58.2332 31.8527 178.6402 52 I 3.6997 7.7240 119.9979 64.7932 37.1696 178.0036 53 N 4.3595 7.8657 115.4986 56.5512 38.3707 176.7231 54 E 4.0657 7.7790 120.0275 58.4489 29.8285 177.6800 55 V 4.2365 7.4798 109.0597 61.4492 34.0719 176.4022 56 D 4.6510 8.3017 121.2108 53.5443 38.3277 176.0443 57 A 3.9897 8.0921 125.5911 54.1284 18.8809 178.3887 58 D 4.6919 8.1325 112.4200 52.2569 40.0465 176.2571 59 G 4.0300 7.8554 107.8911 46.8208 0.0000 174.4469 60 N 4.4806 8.5636 117.1981 52.8593 38.0769 176.2266 61 G 3.9927 9.3899 108.2686 44.9862 0.0000 173.1644 62 T 5.0570 7.9660 109.5643 59.9397 71.3228 173.7944 63 I 4.9862 9.1732 116.1770 59.5445 41.8691 174.1981 64 D 5.3012 8.0099 122.1275 51.2891 42.3313 176.5733 65 F 3.2597 8.6099 118.6429 61.0425 39.2934 175.6435 66 P 3.8694 0.0000 0.0000 65.4496 31.1302 178.4610 67 E 3.9207 7.9333 116.4056 59.0399 29.0993 179.0847 68 F 4.0674 7.6997 120.2294 61.1203 39.7137 176.7714 69 L 3.4885 7.4426 118.8113 57.8864 41.3803 179.3873 70 T 3.7289 7.5515 109.2725 65.3011 68.2465 175.6393 71 M 3.9588 7.5955 119.7471 58.4452 32.1853 177.3103 72 M 4.0334 7.7344 116.2811 54.8559 32.8088 176.2959 73 A 4.2229 7.4582 123.7000 51.7454 19.4316 176.9256 74 R 4.4994 8.0402 118.3452 55.1967 31.9275 175.6303 75 K 4.0176 8.5958 121.1319 55.2332 32.0946 177.2896 76 M 4.8104 8.4258 125.3430 52.5528 35.1253 176.4935 77 K 4.1073 9.0464 125.3894 54.5637 32.5768 175.4877 78 D 4.4673 8.8199 123.0927 56.3943 39.4090 179.0943 79 T 4.0359 7.9068 113.4496 64.3633 67.2395 175.8362 80 D 4.3942 8.1585 121.3676 57.4875 40.7260 178.4657 81 S 4.1556 8.1676 114.9839 62.0440 62.9900 176.4134 82 E 4.0601 8.1999 121.0171 59.2258 29.2988 178.4137 83 E 4.0237 7.9732 119.7798 59.0756 29.6421 178.5705 84 E 4.0473 8.6886 119.2472 59.4466 29.5545 179.3282 85 I 3.9808 7.7967 119.6888 64.4930 36.9343 178.7451 86 R 4.0870 7.8830 117.6565 59.1887 30.2644 178.5924 87 E 4.1645 8.6061 118.4113 59.5198 29.4075 179.1921 88 A 4.2068 8.6240 121.1602 55.1666 18.3602 179.2609 89 F 3.5185 8.5243 119.0820 61.5702 39.2812 177.4897 90 R 3.9426 7.7431 114.7254 58.1220 29.8784 178.6813 91 V 3.7051 7.3597 118.3156 65.3848 31.5126 177.5846 92 F 4.2018 8.0383 117.0902 59.5565 40.6052 176.4841 93 D 5.4032 7.1335 117.7148 52.2012 39.7241 176.3070 94 K 3.9676 8.0478 123.5491 59.7218 32.6950 178.9486 95 D 4.3239 8.0479 116.5632 54.8003 39.2826 177.5224 96 G 3.9895 8.0542 107.3772 44.9155 0.0000 173.9689 97 N 4.3571 7.8213 117.7207 54.5018 37.3501 176.1953 98 G 3.9502 9.4542 107.5449 44.7376 0.0000 172.4098 99 F 5.3419 9.3814 117.9477 55.5900 42.8622 174.3859 100 I 4.3756 9.2402 124.6214 60.4621 38.6192 175.5576 101 S 5.1664 8.5823 120.9743 56.3583 65.9510 175.0196 102 A 4.2262 8.6861 121.1419 54.8725 17.7724 179.9151 103 A 3.9440 7.9183 119.2564 55.5237 18.2092 179.5528 104 E 3.9664 8.1221 116.9005 59.2975 29.4778 179.3522 105 L 4.1781 8.6854 120.8530 58.3084 42.1303 179.0222 106 R 3.9427 7.9437 118.1460 59.6627 29.9377 178.0038 107 H 4.1548 8.0863 118.2883 58.9733 29.8474 177.4869 108 V 3.2838 7.4064 119.3632 66.2259 31.3172 177.7041 109 M 3.9961 7.9269 118.4314 58.8429 31.8276 178.7173 110 T 3.8028 8.1047 113.1423 65.3347 67.3207 175.9759 111 N 4.3709 7.7962 117.0723 55.4148 38.5544 176.3426 112 L 4.4226 7.5376 118.2837 53.6836 41.9884 176.7773 113 G 3.8115 7.7165 106.8192 46.3813 0.0000 173.5692 114 E 4.1956 8.3700 120.0228 55.1423 30.0758 176.3864 115 K 4.4316 8.3848 123.9019 54.9037 33.1829 175.6788 116 L 4.4872 8.0242 122.5138 54.2027 42.8768 174.5301 117 T 4.5052 8.2315 109.9602 60.4191 71.7204 175.2531 118 D 4.4072 8.6797 121.9819 57.9244 40.7764 179.3535 119 E 3.9426 8.1112 118.1264 59.6372 29.6320 178.9718 120 E 4.0324 8.2955 118.5191 59.3582 29.3917 179.6249 121 V 3.5879 8.1742 118.5173 66.2733 31.6691 177.5384 122 D 4.4595 8.4343 121.1358 58.3574 40.7114 179.6438 123 E 4.0527 8.6966 118.8446 61.2919 29.5577 180.9527 124 M 4.2612 8.1996 119.6510 58.3064 32.0590 178.8175 125 I 3.7565 7.9762 119.9580 64.5954 37.1301 178.3802 126 R 3.9351 8.2438 117.6401 59.6245 30.0339 178.3512 127 E 4.0306 8.1172 117.2441 58.8082 29.7247 177.9443 128 A 4.4918 7.5599 118.9140 52.5747 21.0777 178.2317 129 D 5.4767 7.8891 119.6581 53.0004 37.7976 176.2577 130 I 3.6853 7.8096 124.1182 64.0240 37.6846 177.0566 131 D 4.5338 8.1165 115.2738 52.9418 39.5173 176.6417 132 G 3.9290 7.8776 107.2628 46.8733 0.0000 174.1951 133 D 4.4690 8.2450 117.1811 52.7491 39.6334 177.4548 134 G 3.9195 8.7940 108.2045 45.9726 0.0000 172.9829 135 Q 4.7533 8.8315 117.3875 53.9039 33.3578 175.0540 136 V 4.5398 8.8693 120.6166 61.3290 33.5684 174.7200 137 N 5.1449 8.8433 125.6962 51.4484 39.1045 175.3133 138 Y 2.9020 8.4986 122.7187 61.3761 38.5051 179.3095 139 E 3.8068 8.0362 118.5860 61.0036 30.1623 180.8896 140 E 4.3951 8.6452 117.8840 57.7603 29.9641 178.5888 141 F 4.0622 8.2115 122.7420 61.3465 39.4809 177.0993 142 V 3.4893 7.5436 117.8038 65.8217 31.0132 178.2457 143 T 3.7731 7.4685 114.7928 66.5693 68.6905 175.9156 144 M 4.0436 7.7582 119.9609 58.9627 32.0592 178.0267 145 M 3.9060 7.5457 117.0701 57.8684 32.3131 177.1889 146 T 4.4754 7.3445 109.9964 62.1028 69.4159 175.4822 147 S 4.2776 7.5792 123.3001 58.8299 62.3454 177.6689 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 D 8.46 4.59 0.00 2.71 2.57 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 *3 Q 8.18 4.57 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 4 L 8.14 4.50 0.00 1.65 1.71 0.91 1.07 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 5 T 9.02 4.25 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 1.27 0.00 0.00 *6 E 8.71 4.10 0.00 2.00 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 0.00 2.31 1.97 0.00 7 E 8.07 4.38 0.00 2.01 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 0.00 2.36 2.40 0.00 8 Q 8.55 4.01 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 9 I 7.87 4.03 2.01 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 1.58 0.80 1.22 0.00 0.00 10 A 7.82 4.03 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 11 E 8.05 3.90 0.00 1.94 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 2.58 2.38 0.00 12 F 8.37 4.53 0.00 3.62 3.50 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 13 K 8.72 3.16 0.00 1.18 1.97 0.00 0.93 0.00 0.00 0.86 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.34 7.81 14 E 8.00 4.13 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 2.32 2.46 0.00 15 A 8.26 4.15 1.65 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 16 F 9.20 4.05 0.00 3.02 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 17 S 7.79 4.12 0.00 4.00 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 18 L 8.00 4.11 0.00 1.73 1.58 0.93 0.67 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 19 F 7.87 4.10 0.00 2.45 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 20 D 7.25 4.48 0.00 2.17 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 0.00 0.00 0.00 21 K 7.72 3.95 0.00 1.73 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 22 D 8.12 4.46 0.00 2.76 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 23 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.31 4.41 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 25 G 9.42 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 26 T 9.08 5.31 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 1.28 0.00 0.00 27 I 9.40 5.28 1.92 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 1.14 1.94 0.75 0.00 0.00 28 T 9.00 5.20 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 1.24 0.00 0.00 29 T 8.89 3.99 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 1.26 0.00 0.00 30 K 7.91 3.94 0.00 1.82 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 31 E 8.00 4.28 0.00 2.12 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 0.00 2.45 2.40 0.00 32 L 7.99 4.50 0.00 1.96 1.85 1.01 1.15 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 33 G 8.25 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 0.00 0.00 0.00 34 T 7.85 3.84 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 1.16 0.00 0.00 35 V 7.51 3.35 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 0.40 0.00 0.00 0.39 0.00 0.00 36 M 7.82 4.08 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.75 0.00 37 R 8.64 4.48 0.00 2.05 1.96 0.00 3.25 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 38 S 8.05 4.23 0.00 4.09 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 39 L 7.44 4.61 0.00 1.54 1.65 0.90 1.13 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 40 G 8.12 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 41 Q 7.96 4.39 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 42 N 8.13 5.41 0.00 2.65 2.72 0.00 0.00 6.96 8.02 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 43 P 0.00 4.64 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 44 T 8.25 4.54 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 1.24 0.00 0.00 45 E 8.71 3.88 0.00 2.11 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 0.00 2.39 2.46 0.00 46 A 7.94 4.00 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 47 E 8.24 3.98 0.00 2.18 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 0.00 2.33 2.35 0.00 48 L 8.26 4.03 0.00 1.70 1.75 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.53 4.02 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 50 D 7.61 4.25 0.00 2.73 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 51 M 7.85 4.18 0.00 2.06 2.10 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 2.56 0.00 52 I 7.72 3.70 2.12 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 1.56 0.92 0.93 0.00 0.00 53 N 7.87 4.36 0.00 2.86 2.90 0.00 0.00 7.09 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 54 E 7.78 4.07 0.00 1.88 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 2.28 2.32 0.00 55 V 7.48 4.24 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 0.72 0.00 0.00 0.96 0.00 0.00 56 D 8.30 4.65 0.00 2.82 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 57 A 8.09 3.99 1.28 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 0.00 0.00 58 D 8.13 4.69 0.00 2.77 2.77 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 59 G 7.86 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 0.00 0.00 0.00 0.00 60 N 8.56 4.48 0.00 2.86 2.96 0.00 0.00 6.99 7.02 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 61 G 9.39 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 0.00 0.00 0.00 62 T 7.97 5.06 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 63 I 9.17 4.99 1.92 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 1.46 1.45 0.94 0.00 0.00 64 D 8.01 5.30 0.00 2.89 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 65 F 8.61 3.26 0.00 2.27 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 66 P 0.00 3.87 0.00 2.10 1.98 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 67 E 7.93 3.92 0.00 2.30 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 2.46 2.26 0.00 68 F 7.70 4.07 0.00 2.97 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 69 L 7.44 3.49 0.00 1.56 1.34 0.60 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.55 3.73 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 1.17 0.00 0.00 71 M 7.60 3.96 0.00 1.91 2.15 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 2.53 2.46 0.00 72 M 7.73 4.03 0.00 1.67 1.72 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 73 A 7.46 4.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.04 4.50 0.00 1.86 1.82 0.00 3.04 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 75 K 8.60 4.02 0.00 1.80 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 76 M 8.43 4.81 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 77 K 9.05 4.11 0.00 1.67 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.26 7.81 78 D 8.82 4.47 0.00 2.78 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 79 T 7.91 4.04 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 1.22 0.00 0.00 80 D 8.16 4.39 0.00 2.81 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 81 S 8.17 4.16 0.00 3.90 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 82 E 8.20 4.06 0.00 2.12 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 2.42 2.47 0.00 83 E 7.97 4.02 0.00 2.23 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 2.31 2.41 0.00 84 E 8.69 4.05 0.00 2.27 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 2.39 2.64 0.00 85 I 7.80 3.98 2.20 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 1.11 0.00 0.00 86 R 7.88 4.09 0.00 1.96 1.86 0.00 3.27 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.93 0.00 87 E 8.61 4.16 0.00 2.29 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 2.37 2.50 0.00 88 A 8.62 4.21 1.68 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 89 F 8.52 3.52 0.00 3.10 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 90 R 7.74 3.94 0.00 1.99 1.98 0.00 3.24 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 91 V 7.36 3.71 2.40 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 0.63 0.00 0.00 1.04 0.00 0.00 92 F 8.04 4.20 0.00 2.81 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 93 D 7.13 5.40 0.00 2.12 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 0.00 0.00 0.00 94 K 8.05 3.97 0.00 1.88 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 95 D 8.05 4.32 0.00 2.82 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 96 G 8.05 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 0.00 0.00 0.00 97 N 7.82 4.36 0.00 2.97 3.07 0.00 0.00 7.17 6.84 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 98 G 9.45 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.38 5.34 0.00 2.92 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 0.00 100 I 9.24 4.38 1.96 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.30 1.03 0.00 0.00 101 S 8.58 5.17 0.00 3.91 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 0.00 102 A 8.69 4.23 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 0.00 103 A 7.92 3.94 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 0.00 104 E 8.12 3.97 0.00 2.31 2.29 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 2.34 2.35 0.00 105 L 8.69 4.18 0.00 1.84 1.75 1.17 0.92 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 0.00 106 R 7.94 3.94 0.00 2.08 2.09 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 107 H 8.09 4.15 0.00 3.15 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.41 3.28 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 0.55 0.00 0.00 0.39 0.00 0.00 109 M 7.93 4.00 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 110 T 8.10 3.80 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 1.26 0.00 0.00 111 N 7.80 4.37 0.00 2.72 2.88 0.00 0.00 7.04 7.89 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 0.00 112 L 7.54 4.42 0.00 1.56 1.61 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.72 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 0.00 0.00 0.00 114 E 8.37 4.20 0.00 2.09 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 0.00 2.30 2.42 0.00 115 K 8.38 4.43 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 116 L 8.02 4.49 0.00 1.84 1.60 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.23 4.51 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 0.00 118 D 8.68 4.41 0.00 2.71 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 0.00 119 E 8.11 3.94 0.00 2.05 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 2.40 2.47 0.00 120 E 8.30 4.03 0.00 2.23 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 0.00 2.34 2.33 0.00 121 V 8.17 3.59 2.25 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 1.20 0.00 0.00 1.00 0.00 0.00 122 D 8.43 4.46 0.00 2.92 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 0.00 123 E 8.70 4.05 0.00 1.92 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 2.24 2.23 0.00 124 M 8.20 4.26 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 125 I 7.98 3.76 2.03 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 1.73 1.04 0.98 0.00 0.00 126 R 8.24 3.94 0.00 1.89 2.03 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 127 E 8.12 4.03 0.00 2.20 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 2.31 2.36 0.00 128 A 7.56 4.49 1.28 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 0.00 0.00 129 D 7.89 5.48 0.00 2.91 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.81 3.69 2.02 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 1.47 0.52 0.92 0.00 0.00 131 D 8.12 4.53 0.00 2.84 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 0.00 132 G 7.88 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 0.00 133 D 8.24 4.47 0.00 2.65 2.77 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 0.00 134 G 8.79 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 0.00 0.00 0.00 135 Q 8.83 4.75 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 136 V 8.87 4.54 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 1.03 0.00 0.00 1.02 0.00 0.00 137 N 8.84 5.14 0.00 2.66 3.08 0.00 0.00 6.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.50 2.90 0.00 1.93 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 0.00 139 E 8.04 3.81 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 2.31 1.93 0.00 140 E 8.65 4.40 0.00 2.35 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 2.80 2.38 0.00 141 F 8.21 4.06 0.00 3.33 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 0.00 142 V 7.54 3.49 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 0.84 0.00 0.00 0.25 0.00 0.00 143 T 7.47 3.77 4.18 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 1.17 0.00 0.00 144 M 7.76 4.04 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 145 M 7.55 3.91 0.00 1.81 1.62 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 146 T 7.34 4.48 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 1.20 0.00 0.00 147 S 7.58 4.28 0.00 3.69 3.67 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 * Residues marked with a * may have inaccurate shift predictions.