NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3199 8.3144 122.1441 54.3623 32.9751 173.6908 12 S 4.7638 7.5808 118.4956 55.8567 65.3901 171.9889 13 S 4.8451 8.8296 122.4310 57.8386 64.4296 173.7900 14 C 4.1336 8.5684 122.9424 57.5738 43.8786 173.1398 15 K 4.5272 9.1711 124.4175 55.8826 36.2469 174.5036 16 R 4.6772 8.3302 120.8357 56.3294 30.9087 174.9912 17 H 5.0490 9.1553 122.3510 52.9493 32.6810 171.4354 18 P 4.5333 0.0000 0.0000 63.0351 32.6499 175.8965 19 L 4.3617 7.7839 123.2754 54.5879 45.1037 173.0899 20 Y 4.4449 8.5749 128.2312 56.2403 41.0361 174.1694 21 V 4.0609 6.8474 126.4974 60.9620 33.4490 173.8790 22 D 4.6711 8.2778 129.0830 53.4336 41.8194 176.9661 23 F 4.4363 9.0564 125.9872 60.6646 39.4412 178.3015 24 S 4.1249 8.4196 115.2207 61.6796 62.5557 175.9189 25 D 4.3258 7.6650 119.6559 56.9667 40.6376 178.5865 26 V 3.8200 7.1920 117.6047 61.5921 32.0133 176.5915 27 G 3.9724 7.6557 107.5524 46.2490 0.0000 173.8982 28 W 5.1873 8.5068 116.9042 56.2203 29.5552 177.4773 29 N 4.5714 8.4483 117.7444 55.3970 38.3431 174.6870 30 D 4.9935 8.1181 114.3002 52.9246 41.2964 175.9675 31 W 4.8428 8.1519 115.6045 56.2098 30.6580 175.1049 32 I 4.1776 7.1994 121.8176 59.5609 37.6664 175.8367 33 V 4.3475 8.5958 119.8045 62.1427 33.9233 176.2907 34 A 4.6935 7.4867 120.2203 50.3172 22.4860 175.0440 35 P 4.7854 0.0000 0.0000 61.3673 33.1684 174.2019 36 P 4.5648 0.0000 0.0000 64.4579 31.7942 175.4903 37 G 3.4254 7.5400 105.2017 45.9965 0.0000 171.3000 38 Y 4.5885 5.9264 114.0527 56.1029 40.8418 173.5542 39 H 4.3620 8.9506 118.6212 55.7903 28.6451 174.7385 40 A 4.3370 8.2402 125.8699 50.9031 20.9884 177.3044 41 F 4.2198 7.9761 115.9041 57.4797 38.4545 172.8271 42 Y 4.9548 8.1837 117.9530 57.0102 41.6045 172.3861 43 C 5.4480 8.8330 116.7528 55.6451 41.1662 173.2416 44 H 4.8215 8.8757 121.2479 55.6403 33.4661 172.2469 45 G 4.5325 8.5509 108.8430 42.5759 0.0000 173.2183 46 E 4.0841 8.9239 120.7218 56.6654 29.8290 176.3098 47 C 4.8308 8.3774 120.0905 54.6366 40.0304 172.0938 48 P 4.5955 0.0000 0.0000 61.5468 32.7949 175.4691 49 F 4.6782 8.4240 120.3107 55.9136 40.4911 173.5242 50 P 3.5544 0.0000 0.0000 61.5774 32.1290 175.9200 51 L 4.0836 7.9949 119.3911 53.4748 41.2597 176.9488 52 A 4.1277 8.1225 127.0314 51.4300 19.6026 177.3641 53 D 4.2986 8.7631 118.6948 57.9279 41.0380 177.7262 54 H 4.5625 7.9609 110.3964 56.4304 28.9853 175.2361 55 L 4.3190 7.6821 119.9746 54.0920 42.0243 176.2222 56 N 4.2638 7.6685 115.4599 54.2527 36.5995 174.6177 57 S 5.0173 7.8594 112.0313 57.5406 64.5891 175.5398 58 T 4.3365 8.0992 113.6684 60.9006 71.0708 175.5146 59 N 4.2428 8.6649 118.9992 56.9504 38.5771 176.5897 60 H 3.9985 8.4097 118.5612 59.7015 29.8420 176.6960 61 A 4.1632 8.2109 122.0417 55.2549 18.2807 179.7495 62 I 3.7446 7.8098 118.4229 64.4550 37.1175 178.7881 63 V 3.5919 8.1280 119.5582 66.0552 31.2989 177.8587 64 Q 3.8933 8.5684 119.6117 59.4825 28.7068 178.4652 65 T 3.9841 8.0781 116.9168 66.3840 68.2537 176.8848 66 L 3.9070 7.5541 120.0120 57.5444 41.8295 179.4191 67 V 3.6746 8.0620 118.5567 66.0040 31.1121 177.3907 68 N 4.2915 8.4947 117.4889 56.9623 38.4631 176.5797 69 S 4.1925 7.7958 113.6609 60.1632 63.2675 175.4417 70 V 4.3949 6.9869 120.9632 62.1632 33.0107 174.3166 71 N 4.8121 8.8556 117.6390 51.0709 39.7581 174.4918 72 S 4.2253 8.6964 121.2290 60.9261 63.1122 176.2701 73 K 4.0686 7.9821 119.3775 58.4792 31.9546 176.9761 74 I 4.2062 7.5259 120.6754 59.0739 37.8111 174.1559 75 P 4.4785 0.0000 0.0000 62.1907 31.9337 176.1469 76 K 4.2102 8.2560 118.4189 55.7690 32.7381 176.9020 77 A 4.2702 8.3204 122.1162 52.5177 19.2447 176.2988 78 C 4.7212 8.9586 120.2576 57.5701 34.3349 172.2552 79 C 4.9117 8.7922 126.2441 56.5867 43.1058 172.5933 80 V 4.7186 8.8004 119.0599 59.0573 36.6834 172.7098 81 P 4.9510 0.0000 0.0000 63.0503 31.2628 176.7867 82 T 4.5231 9.0185 114.4475 61.6873 70.4319 174.2625 83 E 4.6924 7.9467 123.8140 54.8654 32.9525 173.6518 84 L 5.5211 8.7111 125.9170 53.0814 45.7397 175.2486 85 S 4.8770 9.2675 115.0080 56.9141 67.1459 172.5322 86 A 5.3014 8.5684 121.4918 50.8877 20.8063 176.2566 87 I 4.7784 8.6889 111.6055 59.6390 41.5790 174.1021 88 S 5.4472 8.6968 118.5332 57.3758 65.2866 173.3733 89 M 5.1091 9.4707 121.9085 53.6919 36.8551 174.0518 90 L 5.2526 9.2971 121.7077 53.3177 44.1218 175.4417 91 Y 5.1236 8.3939 121.3569 55.0923 42.0444 174.9263 92 L 5.0047 8.8589 121.8603 54.2338 41.9660 176.3309 93 D 4.8238 9.8155 125.4145 53.8236 42.7041 177.2585 94 E 3.5681 8.4924 116.6649 59.4949 31.4394 178.2400 95 N 4.6091 8.0810 118.0422 54.8994 38.3489 175.3854 96 E 4.2084 7.8356 110.9417 57.0776 28.4776 176.2987 97 K 4.3397 7.4238 117.4211 55.8175 34.3554 177.5127 98 V 4.5096 8.2659 123.6264 61.7392 31.9823 174.6647 99 V 4.2664 7.9654 128.2854 60.6899 34.1287 173.9299 100 L 4.9686 8.2549 129.0765 53.9663 43.2572 175.4742 101 K 4.6053 9.0215 126.4949 54.8986 36.2929 174.0817 102 N 5.1619 8.6869 125.6009 52.9542 39.9944 173.3907 103 Y 4.5630 9.4262 125.1552 56.5342 39.8845 176.0645 104 Q 4.5328 8.8677 123.4213 54.6295 30.3944 175.1207 105 D 4.4365 8.2569 117.4776 56.0344 38.4501 174.5238 106 M 4.6162 8.5181 118.4024 55.8563 34.3153 178.2655 107 V 4.6805 7.7487 118.2765 60.7753 34.8684 174.8090 108 V 4.2710 8.4643 128.2880 63.1621 31.1269 175.3728 109 E 4.2401 9.4523 128.4337 57.5964 30.8320 176.8724 110 G 4.2287 7.7967 105.0414 45.0651 0.0000 172.8020 111 C 5.5246 8.5656 119.8612 55.4584 43.8869 172.8886 112 G 4.1453 8.8797 107.1102 46.0096 0.0000 171.2295 113 C 5.3120 8.7170 117.7923 55.7606 40.6537 174.7606 114 R 4.2863 8.4424 121.4727 56.6422 31.1924 174.9410 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 11 K 8.31 4.32 0.00 1.79 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 12 S 7.58 4.76 0.00 3.98 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 13 S 8.83 4.85 0.00 3.81 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 14 C 8.57 4.13 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.17 4.53 0.00 1.72 1.83 0.00 1.30 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.09 7.81 16 R 8.33 4.68 0.00 1.75 1.76 0.00 2.63 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 17 H 9.16 5.05 0.00 1.62 2.79 0.00 5.86 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.53 0.00 2.01 2.00 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 19 L 7.78 4.36 0.00 2.03 1.63 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.57 4.44 0.00 2.89 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 21 V 6.85 4.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.61 0.00 0.00 22 D 8.28 4.67 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.06 4.44 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.12 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.66 4.33 0.00 2.57 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 26 V 7.19 3.82 1.59 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 -1.08 0.00 0.00 0.54 0.00 0.00 27 G 7.66 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 28 W 8.51 5.19 0.00 3.23 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 29 N 8.45 4.57 0.00 2.73 2.91 0.00 0.00 6.92 8.47 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 30 D 8.12 4.99 0.00 2.88 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 31 W 8.15 4.84 0.00 3.44 3.30 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 32 I 7.20 4.18 1.37 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.36 0.60 0.00 0.00 33 V 8.60 4.35 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 0.68 0.00 0.00 0.95 0.00 0.00 34 A 7.49 4.69 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 35 P 0.00 4.79 0.00 2.44 2.18 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 36 P 0.00 4.56 0.00 2.36 2.39 0.00 3.52 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 2.10 2.12 0.00 37 G 7.54 3.43 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 38 Y 5.93 4.59 0.00 2.92 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 39 H 8.95 4.36 0.00 3.07 2.83 0.00 5.87 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.24 4.34 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.98 4.22 0.00 3.22 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 42 Y 8.18 4.95 0.00 3.15 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 43 C 8.83 5.45 0.00 2.95 3.08 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 44 H 8.88 4.82 0.00 3.46 3.04 0.00 5.77 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 45 G 8.55 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.92 4.08 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 47 C 8.38 4.83 0.00 3.03 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 48 P 0.00 4.60 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 49 F 8.42 4.68 0.00 3.03 3.01 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 50 P 0.00 3.55 0.00 1.79 0.98 0.00 3.57 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 51 L 7.99 4.08 0.00 1.61 1.63 0.94 0.82 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 52 A 8.12 4.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.76 4.30 0.00 2.66 2.69 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 54 H 7.96 4.56 0.00 3.29 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.68 4.32 0.00 1.62 1.67 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.67 4.26 0.00 2.80 2.81 0.00 0.00 6.93 6.97 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 57 S 7.86 5.02 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 58 T 8.10 4.34 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 N 8.66 4.24 0.00 2.77 2.94 0.00 0.00 6.41 8.16 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 60 H 8.41 4.00 0.00 3.19 3.34 0.00 5.68 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 61 A 8.21 4.16 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 62 I 7.81 3.74 2.04 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 1.43 1.18 0.97 0.00 0.00 63 V 8.13 3.59 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 1.04 0.00 0.00 0.99 0.00 0.00 64 Q 8.57 3.89 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 65 T 8.08 3.98 4.48 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 0.00 0.00 0.00 1.36 0.00 0.00 66 L 7.55 3.91 0.00 1.88 1.67 1.03 0.35 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 67 V 8.06 3.67 2.18 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 0.98 0.00 0.00 0.93 0.00 0.00 68 N 8.49 4.29 0.00 3.05 3.04 0.00 0.00 7.03 7.25 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 69 S 7.80 4.19 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 6.99 4.39 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 0.82 0.00 0.00 0.86 0.00 0.00 71 N 8.86 4.81 0.00 2.72 2.73 0.00 0.00 6.82 5.23 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 72 S 8.70 4.23 0.00 4.01 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 73 K 7.98 4.07 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 74 I 7.53 4.21 1.95 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 1.35 0.77 0.91 0.00 0.00 75 P 0.00 4.48 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 K 8.26 4.21 0.00 1.79 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 77 A 8.32 4.27 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 78 C 8.96 4.72 0.00 2.99 2.79 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 0.00 0.00 0.00 0.00 79 C 8.79 4.91 0.00 3.14 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 80 V 8.80 4.72 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 0.73 0.00 0.00 1.06 0.00 0.00 81 P 0.00 4.95 0.00 1.99 2.04 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 82 T 9.02 4.52 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 1.28 0.00 0.00 83 E 7.95 4.69 0.00 2.01 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 0.00 2.27 2.34 0.00 84 L 8.71 5.52 0.00 1.55 1.58 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.27 4.88 0.00 3.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.57 5.30 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 87 I 8.69 4.78 1.86 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.98 0.00 0.00 88 S 8.70 5.45 0.00 3.80 3.85 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 89 M 9.47 5.11 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 90 L 9.30 5.25 0.00 1.70 1.54 0.91 -0.20 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 91 Y 8.39 5.12 0.00 3.18 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 92 L 8.86 5.00 0.00 1.72 1.81 0.98 0.90 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 93 D 9.82 4.82 0.00 3.34 2.69 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 94 E 8.49 3.57 0.00 2.11 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 2.28 2.48 0.00 95 N 8.08 4.61 0.00 2.79 2.85 0.00 0.00 7.15 7.66 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 96 E 7.84 4.21 0.00 2.08 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 2.32 2.30 0.00 97 K 7.42 4.34 0.00 1.83 1.69 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.64 7.81 98 V 8.27 4.51 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 0.70 0.00 0.00 0.91 0.00 0.00 99 V 7.97 4.27 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 0.72 0.00 0.00 0.79 0.00 0.00 100 L 8.25 4.97 0.00 1.64 1.50 0.93 0.51 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 0.00 101 K 9.02 4.61 0.00 1.85 1.77 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 1.47 7.81 102 N 8.69 5.16 0.00 2.75 2.68 0.00 0.00 6.99 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 0.00 103 Y 9.43 4.56 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.87 4.53 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 D 8.26 4.44 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.52 4.62 0.00 1.88 2.18 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 2.59 3.00 0.00 107 V 7.75 4.68 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 1.26 0.00 0.00 1.29 0.00 0.00 108 V 8.46 4.27 2.18 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 0.84 0.00 0.00 1.05 0.00 0.00 109 E 9.45 4.24 0.00 1.89 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 2.28 2.39 0.00 110 G 7.80 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 0.00 0.00 0.00 0.00 111 C 8.57 5.52 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 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 0.00 0.00 0.00 0.00 113 C 8.72 5.31 0.00 2.90 3.01 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 0.00 114 R 8.44 4.29 0.00 1.65 1.76 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00