NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2210 8.1633 120.2779 54.7211 33.3042 174.2575 2 K 4.0602 8.4901 126.1836 56.1075 32.5029 175.6908 3 G 3.9665 8.5744 113.5779 44.7297 0.0000 172.1348 4 D 4.5720 8.4541 119.6274 54.3209 41.9577 177.0557 5 T 3.8677 8.8829 122.8198 66.8614 68.5214 176.6336 6 K 3.8511 8.1715 120.9389 59.1512 32.2020 178.8252 7 V 3.9035 8.6704 119.0256 66.1952 31.3939 177.9429 8 I 3.7284 7.7718 119.3835 64.6734 36.8818 178.1568 9 N 4.2698 8.1989 117.1343 56.3392 38.3039 177.1122 10 Y 4.0559 8.0707 118.1437 61.1081 38.0507 178.4098 11 L 3.9212 8.6727 120.1855 58.1761 41.7053 179.5366 12 N 4.3649 8.4807 116.4968 55.9735 38.4081 177.5029 13 K 3.8626 8.1914 121.3727 59.3977 32.3590 178.8686 14 L 3.8140 8.1838 119.6242 57.6525 41.4215 179.0335 15 L 3.9511 7.9377 120.5979 58.2435 41.8990 179.2569 16 G 3.6148 8.1462 105.5983 47.8604 0.0000 175.3548 17 N 4.3454 8.0391 118.8404 56.1719 38.5882 177.3213 18 E 4.0836 8.2824 119.8634 59.5991 29.1013 179.5294 19 L 4.2442 8.2369 118.7768 57.3924 41.5321 180.0329 20 V 3.6378 7.7361 112.2802 64.1900 31.4495 178.1181 21 A 3.8550 8.1326 120.5848 55.2469 18.1971 179.5919 22 I 3.7591 8.2273 118.4976 64.8288 37.2205 178.4931 23 N 4.4015 7.8229 115.9718 56.4307 38.4475 177.4225 24 Q 3.8547 8.4024 121.3710 59.2364 29.0938 177.9326 25 Y 4.3257 8.2243 118.0134 60.9417 37.9728 177.7481 26 F 3.7929 8.4556 121.6324 61.1125 39.4400 176.8720 27 L 3.9075 8.2181 119.8327 58.4987 41.8991 178.3191 28 H 3.7463 8.1104 115.8331 58.9020 28.6100 177.0577 29 A 4.1323 8.3716 122.5245 55.8742 18.1057 180.0280 30 R 3.7705 7.7119 115.3772 58.7360 30.0922 179.3592 31 M 3.4003 7.8621 119.4522 58.1622 31.8973 178.5045 32 F 4.6297 7.6335 118.2321 60.5204 39.0236 177.6924 33 K 3.9328 8.3062 119.3089 59.5105 31.8333 177.9950 34 N 4.2162 7.8641 116.0324 56.8045 38.9092 176.2606 35 W 4.7649 7.8333 116.5619 57.4617 29.2852 177.2952 36 G 4.0225 8.3545 108.0019 45.8594 0.0000 175.2101 37 L 4.4806 8.0071 121.8216 53.1921 38.0312 177.1335 38 K 3.8559 7.9660 122.6292 59.7995 32.5486 177.5688 39 R 3.9336 8.2912 119.1036 59.2610 29.9768 178.4359 40 L 4.1400 7.7707 118.3424 57.2904 41.5560 178.7824 41 N 4.4377 8.0894 117.0292 56.7454 38.9657 176.5001 42 D 4.3208 8.0074 120.2911 57.4543 40.9922 179.1442 43 V 3.3240 7.6350 118.3190 66.0836 31.5329 177.9446 44 E 3.7540 8.3347 118.4498 59.2806 29.2799 178.5971 45 Y 3.9020 8.1821 119.8063 61.2160 38.9010 178.1727 46 H 4.2062 8.2345 116.4083 58.3126 28.6736 177.5755 47 E 3.6859 7.7454 120.8903 58.6097 29.1923 178.6990 48 S 4.1005 8.0626 113.7544 61.6239 62.3420 176.2874 49 I 3.5563 7.2884 122.0931 64.4615 36.8360 177.8960 50 D 4.2671 7.7932 119.4517 57.7364 40.6333 179.0943 51 E 4.1981 8.3108 118.6674 59.4491 29.3599 179.3804 52 M 4.0653 8.0433 119.0391 58.3011 32.0032 178.8137 53 K 3.9432 8.1289 118.7680 59.6691 32.1909 179.0982 54 H 4.0794 8.2275 116.1678 58.8120 28.6335 177.5091 55 A 4.2572 8.3354 122.7774 55.4101 18.1446 178.9662 56 D 4.3145 8.2547 116.3967 57.7413 41.2403 178.8045 57 R 3.8526 7.8125 118.3003 59.4470 30.0324 178.5986 58 Y 4.3122 7.8220 116.4024 61.2559 37.8858 178.8496 59 I 3.7852 8.2896 121.0123 64.6298 37.2389 178.4673 60 E 4.0626 8.5240 119.5379 59.0396 29.2341 179.5069 61 R 4.0042 8.1044 118.9623 59.5412 30.2323 178.2482 62 I 3.7418 8.4078 119.9626 64.7402 37.1529 178.3199 63 L 4.0332 8.1473 119.4272 57.7327 41.2114 179.4517 64 F 4.3691 8.1448 119.5884 61.2939 39.7346 176.6823 65 L 4.3359 8.3542 117.2427 54.0738 40.9541 177.1485 66 E 3.6187 8.0336 117.5487 57.4831 27.2146 174.4118 67 G 4.0006 8.2058 108.6294 43.9421 0.0000 173.4323 68 L 4.5319 8.0479 119.1733 52.0532 42.1286 175.1722 69 P 4.3910 0.0000 0.0000 62.5498 31.7796 175.9261 70 N 4.7207 9.5186 122.0750 52.3981 38.8015 173.8801 71 L 4.6007 8.2997 124.2175 54.5534 42.3930 177.5854 72 Q 4.1095 8.6414 122.3125 58.2854 29.2992 175.9579 73 D 4.7013 8.0342 116.6455 52.8107 42.0411 175.2966 74 L 4.5784 8.2587 125.1227 52.7250 44.0668 176.5508 75 G 3.8074 8.4676 115.4051 44.8631 0.0000 171.7559 76 K 4.1050 8.3083 120.6730 55.7328 32.4718 176.5697 77 L 4.0918 8.3864 126.8547 54.3746 42.2702 176.0450 78 N 4.8203 8.6593 121.7156 51.9940 39.8572 174.2405 79 I 3.8866 8.5056 126.6163 63.9707 37.7845 177.8747 80 G 4.3637 8.1575 103.1982 45.4723 0.0000 172.8729 81 E 4.7316 8.7680 117.5657 56.0201 31.2114 176.0736 82 D 4.9247 7.6676 118.1341 50.3152 44.0069 175.8958 83 V 4.0398 8.5605 119.3562 66.6005 31.3309 177.6293 84 E 3.8323 8.1679 117.9463 59.4463 29.4539 178.0409 85 E 4.0096 8.5077 119.5069 59.5452 29.5746 178.6894 86 M 4.1160 8.2730 116.9356 58.1105 31.5313 178.4933 87 L 4.1516 8.5065 120.5639 57.7215 41.8328 179.5406 88 R 3.9035 8.5075 118.9730 59.3046 29.9821 178.5870 89 S 4.1219 8.1266 113.2439 61.2744 62.3870 175.7138 90 D 4.2250 8.1924 121.6997 57.2712 40.5215 178.4347 91 L 4.0023 8.2199 120.5762 58.3662 42.0334 178.9614 92 A 3.9891 8.0659 120.5446 54.9696 18.2489 179.4028 93 L 3.8875 7.9078 118.9142 58.2546 42.0768 179.1240 94 E 4.0376 8.4068 118.5783 59.5078 29.6169 179.1783 95 L 4.0221 8.2037 119.2216 58.1464 41.7316 179.4815 96 D 4.5221 8.5067 118.9790 57.2058 40.6482 179.0937 97 G 3.6280 8.3155 106.2568 47.6231 0.0000 175.7246 98 A 4.0236 8.4172 123.5380 54.6459 18.4874 179.3628 99 K 3.7995 7.9523 117.7829 60.0380 32.3108 178.5290 100 N 4.3784 8.1278 116.3210 56.4257 38.4532 177.4118 101 L 4.0021 8.1128 120.3083 57.9209 41.6457 179.6748 102 R 3.9093 8.3743 118.3969 59.2353 30.0639 178.8013 103 E 3.8578 8.0771 118.3004 59.2569 29.6766 178.7520 104 A 2.8341 7.7370 120.7500 54.7368 18.3717 179.7202 105 I 3.7533 7.8976 118.6180 64.4145 36.9474 178.8771 106 G 3.6031 7.6054 105.3863 47.8786 0.0000 174.8807 107 Y 4.1710 7.9762 122.5069 59.6703 38.8518 177.2579 108 A 3.7975 8.3118 122.2113 55.4148 18.5318 179.1028 109 D 4.0765 7.9237 116.3653 57.2591 41.4298 178.2968 110 S 4.1961 7.7155 113.9095 59.9150 63.0659 175.6646 111 V 4.0270 6.8590 114.0161 60.7243 31.5913 175.5198 112 H 2.7800 6.9769 113.8564 56.7169 26.9194 176.4420 113 D 4.5186 7.3835 121.2854 53.4837 37.7738 176.1997 114 Y 4.2893 7.4399 121.3964 60.4433 38.3729 178.0618 115 V 3.7715 7.8445 120.0153 64.6366 31.8202 178.3574 116 S 4.1470 8.3000 115.7095 61.3757 62.6168 176.5826 117 R 3.8763 8.1560 121.2477 59.4989 29.8463 177.9628 118 D 4.3023 8.4802 118.0637 57.6859 41.3447 177.7259 119 M 3.9756 8.2832 118.8489 59.1201 32.0536 178.1440 120 M 4.1309 8.2414 118.8294 58.3645 32.1519 178.7641 121 I 3.7168 8.0874 120.2960 64.2921 37.3546 178.3138 122 E 3.9597 8.1529 119.4093 59.4589 29.3015 179.4204 123 I 3.5491 7.5632 119.5780 64.2368 37.0725 178.1172 124 L 3.9398 8.1810 121.4470 58.2620 41.9909 178.8760 125 R 3.8744 8.0811 118.4841 59.7205 29.9625 178.2411 126 D 4.3549 7.9571 118.2268 57.3397 40.7532 178.6228 127 E 3.9945 8.2569 119.2769 59.3031 29.3768 178.9935 128 E 4.1205 8.5876 119.8488 59.0231 29.6954 179.0091 129 G 3.6875 7.9899 105.4057 48.2370 0.0000 175.2691 130 H 4.4334 8.2111 118.9117 58.6856 28.6738 177.8695 131 I 3.8102 8.3508 121.9627 64.5036 36.9822 177.7831 132 D 4.3846 8.4531 118.9873 57.2029 41.0151 178.2901 133 W 4.1227 8.4278 128.6215 60.4430 30.7295 177.8114 134 L 3.7463 8.4562 119.0955 57.9609 41.1595 179.3587 135 E 3.9080 8.4778 118.6241 59.7132 29.3167 179.6834 136 T 3.7858 7.9003 115.5453 66.5655 68.5443 176.4641 137 E 3.7523 7.6353 120.3303 59.4464 29.1509 179.3705 138 L 3.7747 7.7973 118.9503 58.0069 41.5704 179.5065 139 D 4.3633 8.0750 118.6320 57.2437 40.6562 178.6850 140 L 3.9607 8.1979 119.9389 57.8412 41.5731 179.5563 141 I 3.4181 7.4335 119.6623 64.4354 36.7320 178.5443 142 Q 3.9348 7.3583 116.2726 58.8279 28.6475 178.5624 143 K 4.1286 8.1395 118.9058 59.0916 32.2664 178.5420 144 M 4.3747 8.3821 114.8420 54.1550 32.4499 177.4091 145 G 4.0838 7.5971 105.0617 45.8025 0.0000 174.3914 146 L 3.9717 8.3692 120.7943 57.9982 42.1639 179.2696 147 Q 3.9899 8.0233 117.4479 59.2659 28.7929 178.4228 148 N 4.3482 8.1838 116.8405 56.3993 38.3498 176.6512 149 Y 3.9270 7.8999 119.9643 60.6812 39.1499 177.8437 150 L 4.0919 8.3623 120.2173 57.9656 41.6314 179.3022 151 Q 3.8993 8.1938 119.1271 59.0536 28.7330 177.8613 152 A 4.0906 7.6560 119.9622 53.6457 18.6157 178.2544 153 Q 4.3211 7.8557 115.9312 55.6268 29.1939 177.5914 154 I 3.8756 7.3656 121.8925 63.3985 37.4209 176.6225 155 R 4.6494 7.5510 118.0039 53.7111 32.2814 175.6457 156 E 4.1267 8.7238 118.8787 56.6693 29.5816 176.6548 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 1 M 8.16 4.22 0.00 1.50 1.75 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 K 8.49 4.06 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.57 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 4 D 8.45 4.57 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.88 3.87 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.72 1.96 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.01 7.81 7 V 8.67 3.90 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 1.17 0.00 0.00 1.20 0.00 0.00 8 I 7.77 3.73 2.05 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 1.55 0.69 0.92 0.00 0.00 9 N 8.20 4.27 0.00 2.48 2.69 0.00 0.00 7.07 7.09 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 10 Y 8.07 4.06 0.00 3.31 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 11 L 8.67 3.92 0.00 2.02 1.80 1.14 1.05 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 12 N 8.48 4.36 0.00 2.88 2.82 0.00 0.00 6.70 8.17 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 13 K 8.19 3.86 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.18 3.81 0.00 0.99 1.12 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.94 3.95 0.00 1.67 1.83 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.15 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.04 4.35 0.00 2.97 2.91 0.00 0.00 7.05 7.56 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 18 E 8.28 4.08 0.00 2.26 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 0.00 2.74 2.89 0.00 19 L 8.24 4.24 0.00 1.66 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.74 3.64 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 0.88 0.00 0.00 0.89 0.00 0.00 21 A 8.13 3.85 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 22 I 8.23 3.76 2.04 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 1.55 1.08 0.90 0.00 0.00 23 N 7.82 4.40 0.00 2.92 2.86 0.00 0.00 6.74 7.80 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 24 Q 8.40 3.85 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 25 Y 8.22 4.33 0.00 3.22 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 26 F 8.46 3.79 0.00 3.41 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 3.91 0.00 1.96 1.58 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.11 3.75 0.00 3.54 3.20 0.00 5.72 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 29 A 8.37 4.13 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 30 R 7.71 3.77 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 31 M 7.86 3.40 0.00 0.90 1.63 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.11 0.00 32 F 7.63 4.63 0.00 3.30 3.24 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 33 K 8.31 3.93 0.00 1.97 1.88 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.86 4.22 0.00 2.67 2.70 0.00 0.00 7.36 8.20 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 35 W 7.83 4.76 0.00 3.76 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.35 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 0.00 0.00 0.00 37 L 8.01 4.48 0.00 2.20 1.68 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.29 3.93 0.00 2.01 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.69 1.10 1.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.09 4.44 0.00 3.10 2.99 0.00 0.00 7.10 9.28 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 42 D 8.01 4.32 0.00 2.87 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 43 V 7.63 3.32 1.76 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 -0.60 0.00 0.00 0.80 0.00 0.00 44 E 8.33 3.75 0.00 2.20 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 2.65 3.13 0.00 45 Y 8.18 3.90 0.00 2.95 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 46 H 8.23 4.21 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.75 3.69 0.00 1.16 1.12 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 1.93 2.02 0.00 48 S 8.06 4.10 0.00 3.94 3.83 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 49 I 7.29 3.56 1.85 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.53 0.85 0.00 0.00 50 D 7.79 4.27 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.31 4.20 0.00 2.17 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 2.69 2.79 0.00 52 M 8.04 4.07 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.13 3.94 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.23 4.08 0.00 3.57 3.48 0.00 5.65 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 55 A 8.34 4.26 1.44 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 56 D 8.25 4.31 0.00 2.92 2.87 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 57 R 7.81 3.85 0.00 1.82 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.82 4.31 0.00 3.25 2.97 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 I 8.29 3.79 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.95 0.00 0.00 60 E 8.52 4.06 0.00 2.02 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 2.35 2.64 0.00 61 R 8.10 4.00 0.00 2.16 2.21 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.41 3.74 2.06 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 1.59 0.79 0.96 0.00 0.00 63 L 8.15 4.03 0.00 2.09 1.80 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.37 0.00 3.01 3.32 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 65 L 8.35 4.34 0.00 1.68 1.62 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.62 0.00 2.05 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 2.17 2.28 0.00 67 G 8.21 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 68 L 8.05 4.53 0.00 1.62 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.39 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.52 4.72 0.00 2.59 2.81 0.00 0.00 7.10 7.81 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.64 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.70 0.00 2.68 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 74 L 8.26 4.58 0.00 1.52 1.51 0.91 1.09 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 75 G 8.47 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 76 K 8.31 4.10 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.39 4.09 0.00 1.64 1.56 0.95 0.97 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 78 N 8.66 4.82 0.00 2.64 2.70 0.00 0.00 7.24 7.96 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 79 I 8.51 3.89 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.93 0.00 0.00 80 G 8.16 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 81 E 8.77 4.73 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 82 D 7.67 4.92 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.56 4.04 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 1.20 0.00 0.00 1.23 0.00 0.00 84 E 8.17 3.83 0.00 2.02 1.91 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 2.32 2.26 0.00 85 E 8.51 4.01 0.00 2.25 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 0.00 2.35 2.36 0.00 86 M 8.27 4.12 0.00 2.35 1.76 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.51 4.15 0.00 2.00 1.78 1.25 0.64 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 88 R 8.51 3.90 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.07 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 90 D 8.19 4.23 0.00 3.13 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 91 L 8.22 4.00 0.00 1.82 1.90 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.07 3.99 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 93 L 7.91 3.89 0.00 1.90 1.81 0.90 0.81 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 94 E 8.41 4.04 0.00 2.28 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 2.61 2.72 0.00 95 L 8.20 4.02 0.00 2.02 1.75 0.96 1.47 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 96 D 8.51 4.52 0.00 2.70 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 97 G 8.32 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 98 A 8.42 4.02 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 99 K 7.95 3.80 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.99 2.92 0.00 0.00 7.14 6.72 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 0.00 101 L 8.11 4.00 0.00 2.00 1.74 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.37 3.91 0.00 1.95 1.99 0.00 3.14 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 1.66 1.97 0.00 103 E 8.08 3.86 0.00 2.08 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 0.00 2.37 2.38 0.00 104 A 7.74 2.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.90 3.75 2.03 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 1.46 1.04 0.91 0.00 0.00 106 G 7.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.98 4.17 0.00 3.18 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 0.00 108 A 8.31 3.80 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 0.00 109 D 7.92 4.08 0.00 2.86 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 0.00 110 S 7.72 4.20 0.00 3.99 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 0.00 111 V 6.86 4.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.63 0.00 0.00 112 H 6.98 2.78 0.00 3.19 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.52 0.00 2.62 2.46 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 0.00 114 Y 7.44 4.29 0.00 3.10 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 0.00 115 V 7.84 3.77 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 0.96 0.00 0.00 0.98 0.00 0.00 116 S 8.30 4.15 0.00 4.19 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.16 3.88 0.00 1.95 2.20 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.48 4.30 0.00 2.95 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 M 8.28 3.98 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 120 M 8.24 4.13 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.79 0.00 121 I 8.09 3.72 2.00 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 1.53 0.93 0.91 0.00 0.00 122 E 8.15 3.96 0.00 2.14 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 2.32 2.34 0.00 123 I 7.56 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.70 0.00 0.00 124 L 8.18 3.94 0.00 1.84 1.86 0.99 0.96 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 0.00 125 R 8.08 3.87 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.96 4.35 0.00 3.03 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 0.00 127 E 8.26 3.99 0.00 2.15 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 2.57 2.53 0.00 128 E 8.59 4.12 0.00 2.26 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 2.34 2.36 0.00 129 G 7.99 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.21 4.43 0.00 3.65 3.59 0.00 5.65 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 0.00 131 I 8.35 3.81 2.12 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 1.50 0.95 0.97 0.00 0.00 132 D 8.45 4.38 0.00 2.96 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 0.00 133 W 8.43 4.12 0.00 3.56 3.49 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 0.00 134 L 8.46 3.75 0.00 1.97 1.75 1.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.91 0.00 2.13 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 2.33 2.48 0.00 136 T 7.90 3.79 4.20 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 0.00 0.00 1.17 0.00 0.00 137 E 7.64 3.75 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.80 3.77 0.00 1.70 1.62 0.89 1.27 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 0.00 139 D 8.08 4.36 0.00 2.79 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 0.00 140 L 8.20 3.96 0.00 1.87 1.85 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.43 3.42 1.71 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.33 0.69 0.00 0.00 142 Q 7.36 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 8.14 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.38 4.37 0.00 2.18 2.20 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 2.66 2.83 0.00 145 G 7.60 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.37 3.97 0.00 1.74 1.66 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.18 4.35 0.00 2.97 2.89 0.00 0.00 6.66 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 0.00 149 Y 7.90 3.93 0.00 3.05 3.19 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 0.00 150 L 8.36 4.09 0.00 2.03 1.71 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.19 3.90 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.66 4.09 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 0.00 153 Q 7.86 4.32 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.37 3.88 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00