NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4015 0.0000 0.0000 62.2699 32.8837 176.3077 3 R 4.1043 7.7477 114.0706 55.2817 30.8815 174.6609 4 A 4.7218 8.6931 121.6341 52.4740 20.8196 178.5394 5 K 4.4193 8.2368 118.6014 64.2735 31.5588 180.7953 6 T 3.2102 12.0000 110.4280 65.3248 70.6880 172.7805 7 G 3.2701 7.7608 106.9863 43.8626 0.0000 175.8526 8 I 3.0961 8.3133 117.7845 63.3692 35.9981 176.2190 9 V 3.7222 12.0000 118.4758 65.0339 31.0216 177.5399 10 R 3.8534 8.5430 116.6616 60.6189 29.8030 179.8711 11 R 3.5780 7.2879 114.4425 58.3557 31.3602 178.2367 12 R 3.3108 9.1563 114.4981 59.1250 30.2571 180.9714 13 R 3.0980 8.0729 114.5183 56.9148 31.3368 178.1668 14 H 3.3118 8.7380 113.3618 58.8990 29.2850 177.8006 15 K 4.0095 9.2217 119.6437 57.1105 32.7370 179.9733 16 K 4.3989 9.7674 108.5641 55.9739 33.8754 179.2928 17 V 2.8438 8.8176 122.9750 65.5589 33.0806 176.4941 18 L 3.0633 8.0708 118.5153 56.3808 43.3027 179.4752 19 K 3.6501 9.0160 114.4126 59.3385 32.2437 179.5262 20 R 3.6112 7.2295 123.3067 58.2513 30.4344 177.1896 21 A 5.8558 10.6000 122.2098 49.3327 19.6302 177.6056 22 K 3.6395 7.9967 119.4856 57.9969 31.1431 179.3461 23 G 4.0116 8.3355 109.4184 48.2746 0.0000 173.8063 24 F 4.1013 5.4600 114.2831 56.3454 40.9807 179.0009 25 W 4.4378 9.5450 130.6947 55.7865 30.0252 174.5688 26 G 4.3415 8.7577 111.3055 49.8978 0.0000 172.5613 27 S 4.7857 9.3214 121.7515 57.2752 60.5928 175.7263 28 R 3.8357 10.5202 125.8864 63.0316 31.6434 180.3539 29 S 3.9289 7.2963 109.3363 59.7374 65.1076 174.1017 30 K 4.7266 8.1106 116.1184 55.1208 33.5634 177.4566 31 Q 4.5503 12.0000 120.6668 56.3347 26.0760 177.4678 32 Y 4.5256 8.6928 115.9542 59.8853 40.0788 177.2128 33 R 4.3856 9.8103 123.0229 57.7749 31.1769 177.2401 34 N 3.8109 8.4640 109.0251 55.2686 40.1914 175.4098 35 A 3.1353 8.8158 112.1156 55.6608 17.4123 179.0277 36 F 3.8536 5.8868 116.2300 59.3545 41.2384 178.0096 37 Q 4.0773 8.3367 115.2081 56.5681 28.4479 179.3773 38 T 4.1221 8.7315 99.8542 63.6522 72.1010 174.4948 39 L 3.7750 12.0000 125.1257 55.9579 40.5007 181.5597 40 L 3.2338 8.2561 112.0777 55.4994 44.8922 177.7018 41 N 3.5417 8.7304 109.6385 57.1030 36.6653 178.0738 42 A 3.5798 5.9504 120.7619 52.7864 20.3681 177.8387 43 A 5.2208 8.4406 113.6465 52.3702 19.2782 181.6154 44 T 3.9205 7.9594 113.3801 68.4750 69.0266 173.7444 45 Y 4.0642 7.4574 115.8654 62.0342 37.7516 179.7798 46 E 3.6694 9.1874 119.6991 58.5460 30.2478 180.5054 47 Y 4.1411 8.3029 106.1387 59.2452 39.7635 180.1463 48 R 3.7553 6.4028 129.5597 59.4409 30.2017 176.7866 49 D 4.7040 8.9156 119.0002 57.0541 40.5067 179.0104 50 R 3.8614 12.0000 117.7852 58.1158 30.0835 178.0627 51 R 4.5049 7.7120 115.8962 55.5140 32.1252 177.5771 52 N 3.8301 9.4433 105.5344 53.4943 39.2668 179.5934 53 K 4.8803 8.2487 126.8156 58.4738 33.9357 178.1946 54 K 4.8810 8.5023 133.0158 59.6144 32.6726 176.3008 55 R 4.2997 10.6400 118.0574 56.6360 30.6791 179.3271 56 D 3.9083 7.2983 119.9857 57.0979 41.4834 178.1798 57 F 4.6094 9.2598 120.0269 58.2699 39.6920 179.3216 58 R 3.3037 8.1740 122.8324 58.1975 30.2560 178.3793 59 R 4.3334 9.1570 117.4152 59.4581 30.5865 179.1927 60 L 3.3787 8.3684 114.5347 55.9616 41.7490 179.1596 61 W 4.3884 8.7712 119.1909 60.3471 29.2433 178.2254 62 I 3.6884 10.3773 118.6790 65.3467 36.9080 177.1289 63 Q 4.3707 9.0076 122.4564 56.3331 28.4021 179.0192 64 R 3.6540 7.2473 122.2403 59.0956 31.3050 177.6692 65 I 4.0150 8.7976 121.0830 63.1722 37.1935 177.9620 66 N 6.0374 9.8046 118.2116 57.9905 38.5412 178.2434 67 A 3.9896 7.1793 120.3444 54.3547 19.4376 177.7164 68 G 3.7608 8.7928 102.7865 46.0109 0.0000 177.1072 69 A 2.6137 6.5401 122.9296 53.7249 20.0073 179.7086 70 R 4.4627 8.8126 114.3987 59.5258 30.0553 180.0556 71 L 3.0379 7.4853 112.7632 55.3606 44.0566 177.3361 72 H 4.0916 8.0234 117.6217 58.2418 29.9668 175.4127 73 G 4.6098 7.6838 120.7002 44.0591 0.0000 170.7641 74 M 4.1843 6.8367 123.1976 56.0516 36.7084 174.9440 75 N 5.3166 7.6068 117.2318 52.4534 40.8351 175.4276 76 Y 4.5329 8.8920 114.7251 58.4453 37.7434 177.1660 77 S 4.7000 8.0676 115.3253 58.5683 65.3270 175.2578 78 T 4.0883 8.6390 112.8337 62.1258 68.2553 178.5589 79 F 2.8519 7.9160 112.0568 56.6737 40.7883 178.8769 80 I 3.0438 8.3722 119.4307 61.6007 38.7409 175.9031 81 N 4.3188 8.1092 117.3594 56.8759 38.7814 177.5112 82 G 3.5790 7.9606 105.1029 47.9405 0.0000 174.9070 83 L 4.0835 8.3103 122.2284 57.9511 41.5351 180.1374 84 K 4.2986 8.2825 117.0772 59.2451 32.0488 179.2001 85 R 3.9808 7.7065 117.4536 59.0628 30.2833 176.3717 86 A 4.2093 8.6648 120.3476 53.1322 18.5249 174.3636 87 N 4.8591 8.3893 113.1699 54.6647 45.7425 175.8379 88 I 4.4560 7.7370 114.8600 60.6853 38.0785 175.0295 89 D 4.4442 7.7485 120.7276 53.3856 43.5652 175.2605 90 L 4.4209 8.2618 125.0759 53.8791 44.2029 174.7882 91 N 4.8764 8.1948 120.4956 52.9704 42.3131 173.4359 92 R 4.4684 9.2722 117.9488 57.6414 32.7010 176.1339 93 K 3.9452 7.5445 115.9490 57.2369 32.5034 175.2693 94 V 4.2801 10.9496 122.8892 63.5714 29.9030 171.2396 95 L 3.8077 7.5738 117.2843 57.9489 43.2202 179.8823 96 A 4.2792 9.4517 114.9283 56.6789 17.4906 179.8256 97 D 4.2160 8.2286 123.5714 54.8992 42.1157 177.8500 98 I 4.1269 12.0000 121.0047 60.9649 37.2838 178.4874 99 A 2.5800 9.2113 130.1522 53.5950 19.2270 178.7646 100 A 4.2792 10.5942 116.3598 53.7499 19.6013 178.2272 101 R 3.7948 6.9228 112.9160 57.4549 30.7788 176.5549 102 E 4.4639 7.8418 127.5383 53.7130 29.9708 174.8840 103 P 4.1856 0.0000 0.0000 65.8303 30.8513 178.0468 104 E 3.6353 8.1035 116.2894 58.5969 30.0806 180.7492 105 A 3.2295 7.3081 117.6816 53.0027 20.5303 179.7068 106 F 2.9719 8.0192 111.8780 59.7630 40.2079 179.5722 107 K 4.9691 7.8955 117.9210 58.2442 33.5281 176.2732 108 A 4.2318 10.1210 115.5643 52.4693 19.1724 182.1627 109 L 3.2067 8.5895 115.8982 59.7785 42.7708 178.6935 110 V 3.5333 7.2202 118.8807 65.9797 31.4021 176.8458 111 D 4.1395 10.6100 118.9590 55.7937 39.9823 179.5870 112 A 4.1922 7.9380 128.4339 52.6100 20.2850 179.4690 113 S 3.9252 10.2920 112.6676 60.0694 62.4249 178.5062 114 R 3.2556 5.8400 119.2931 57.8265 30.6302 175.9986 115 N 5.1255 8.9898 115.0677 52.8683 38.2389 179.0049 116 A 3.7755 6.5722 126.4101 54.7116 20.6783 178.5239 117 R 3.8706 7.7807 111.4215 56.8371 29.2514 176.7226 118 Q 4.1657 6.7382 118.3977 55.5514 28.6630 176.0227 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 P 0.00 4.40 0.00 2.06 2.13 0.00 3.64 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 1.92 2.08 0.00 3 R 7.75 4.10 0.00 2.00 1.92 0.00 2.98 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 4 A 8.69 4.72 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.24 4.42 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.49 7.81 6 T 12.00 3.21 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 1.25 0.00 0.00 7 G 7.76 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.31 3.10 1.88 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 1.31 0.88 0.92 0.00 0.00 9 V 12.00 3.72 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 1.01 0.00 0.00 1.17 0.00 0.00 10 R 8.54 3.85 0.00 1.94 1.89 0.00 3.25 0.00 0.00 3.41 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 11 R 7.29 3.58 0.00 2.05 1.94 0.00 3.13 0.00 0.00 3.26 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 12 R 9.16 3.31 0.00 2.19 1.87 0.00 3.15 0.00 0.00 3.17 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 13 R 8.07 3.10 0.00 2.16 1.93 0.00 3.23 0.00 0.00 3.18 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 14 H 8.74 3.31 0.00 3.39 3.02 0.00 5.67 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 15 K 9.22 4.01 0.00 1.80 1.79 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.48 7.81 16 K 9.77 4.40 0.00 2.78 0.88 0.00 1.73 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 17 V 8.82 2.84 1.57 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 0.41 0.00 0.00 0.74 0.00 0.00 18 L 8.07 3.06 0.00 1.66 1.32 0.90 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.02 3.65 0.00 2.04 1.67 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.49 7.81 20 R 7.23 3.61 0.00 1.75 1.93 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 21 A 10.60 5.86 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 K 8.00 3.64 0.00 0.82 0.97 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.29 7.81 23 G 8.34 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 0.00 0.00 0.00 24 F 5.46 4.10 0.00 3.12 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 0.00 0.00 0.00 25 W 9.55 4.44 0.00 3.51 3.14 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 0.00 26 G 8.76 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.32 4.79 0.00 4.11 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 28 R 10.52 3.84 0.00 1.86 2.43 0.00 3.51 0.00 0.00 3.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.45 0.00 29 S 7.30 3.93 0.00 4.23 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 30 K 8.11 4.73 0.00 1.90 2.24 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.53 7.81 31 Q 12.00 4.55 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 32 Y 8.69 4.53 0.00 3.12 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 33 R 9.81 4.39 0.00 1.76 1.65 0.00 3.06 0.00 0.00 3.09 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 34 N 8.46 3.81 0.00 2.80 3.02 0.00 0.00 6.65 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.82 3.14 6.30 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 36 F 5.89 3.85 0.00 2.91 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 37 Q 8.34 4.08 0.00 2.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.02 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 38 T 8.73 4.12 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 1.11 0.00 0.00 39 L 12.00 3.77 0.00 2.22 1.12 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.26 3.23 0.00 1.68 1.82 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.73 3.54 0.00 2.53 2.64 0.00 0.00 5.96 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 42 A 5.95 3.58 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 43 A 8.44 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.96 3.92 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 1.46 0.00 0.00 45 Y 7.46 4.06 0.00 3.42 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 46 E 9.19 3.67 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 47 Y 8.30 4.14 0.00 3.62 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 0.00 0.00 0.00 48 R 6.40 3.76 0.00 2.01 1.94 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.08 0.00 49 D 8.92 4.70 0.00 3.12 2.65 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 50 R 12.00 3.86 0.00 1.92 2.09 0.00 3.61 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 51 R 7.71 4.50 0.00 1.76 1.97 0.00 3.52 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 52 N 9.44 3.83 0.00 2.78 2.21 0.00 0.00 7.20 7.60 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 53 K 8.25 4.88 0.00 2.07 2.08 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.62 7.81 54 K 8.50 4.88 0.00 1.92 1.96 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.54 7.81 55 R 10.64 4.30 0.00 1.95 1.84 0.00 3.17 0.00 0.00 3.18 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 56 D 7.30 3.91 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.26 4.61 0.00 3.39 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.17 3.30 0.00 1.97 1.97 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.09 0.00 59 R 9.16 4.33 0.00 1.80 1.94 0.00 3.29 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 60 L 8.37 3.38 0.00 1.85 1.46 0.35 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.77 4.39 0.00 3.39 3.48 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 0.00 62 I 10.38 3.69 1.83 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 1.29 0.57 0.76 0.00 0.00 63 Q 9.01 4.37 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 64 R 7.25 3.65 0.00 1.83 1.89 0.00 3.10 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 65 I 8.80 4.02 2.45 0.00 0.00 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 2.68 1.32 1.60 0.00 0.00 66 N 9.80 6.04 0.00 2.89 3.07 0.00 0.00 6.59 7.72 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 67 A 7.18 3.99 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 68 G 8.79 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 0.00 0.00 0.00 69 A 6.54 2.61 -0.62 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 70 R 8.81 4.46 0.00 1.94 2.03 0.00 3.24 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.69 0.00 71 L 7.49 3.04 0.00 1.84 1.59 0.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.02 4.09 0.00 3.31 3.41 0.00 6.07 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.68 4.61 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 74 M 6.84 4.18 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 75 N 7.61 5.32 0.00 2.99 2.94 0.00 0.00 7.41 7.36 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 76 Y 8.89 4.53 0.00 2.96 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 77 S 8.07 4.70 0.00 4.04 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 78 T 8.64 4.09 4.31 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 1.30 0.00 0.00 79 F 7.92 2.85 0.00 3.13 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 80 I 8.37 3.04 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.75 0.97 0.00 0.00 81 N 8.11 4.32 0.00 2.93 2.93 0.00 0.00 7.09 7.50 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 82 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.31 4.08 0.00 1.91 1.78 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.28 4.30 0.00 1.71 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 85 R 7.71 3.98 0.00 2.04 1.95 0.00 3.17 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 86 A 8.66 4.21 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 87 N 8.39 4.86 0.00 2.63 2.75 0.00 0.00 6.66 7.94 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 88 I 7.74 4.46 1.86 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 1.40 1.06 0.90 0.00 0.00 89 D 7.75 4.44 0.00 2.59 2.53 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 90 L 8.26 4.42 0.00 1.56 1.54 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.19 4.88 0.00 2.61 2.62 0.00 0.00 7.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 9.27 4.47 0.00 1.71 1.87 0.00 3.13 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 93 K 7.54 3.95 0.00 1.22 0.74 0.00 0.72 0.00 0.00 1.23 0.00 0.00 2.58 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.02 0.58 7.81 94 V 10.95 4.28 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 0.85 0.00 0.00 1.11 0.00 0.00 95 L 7.57 3.81 0.00 1.89 1.59 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.45 4.28 1.53 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 97 D 8.23 4.22 0.00 2.78 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 98 I 12.00 4.13 2.68 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 1.17 0.00 0.00 99 A 9.21 2.58 -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 0.00 0.00 100 A 10.59 4.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 6.92 3.79 0.00 1.93 1.94 0.00 3.30 0.00 0.00 3.14 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.62 0.00 102 E 7.84 4.46 0.00 2.08 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 0.00 2.33 2.37 0.00 103 P 0.00 4.19 0.00 2.28 2.29 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 104 E 8.10 3.64 0.00 2.09 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 2.44 2.39 0.00 105 A 7.31 3.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.02 2.97 0.00 3.47 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 0.00 107 K 7.90 4.97 0.00 2.00 2.01 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 2.19 1.64 7.81 108 A 10.12 4.23 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.59 3.21 0.00 1.58 1.85 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.22 3.53 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 0.69 0.00 0.00 1.29 0.00 0.00 111 D 10.61 4.14 0.00 2.76 2.38 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 0.00 112 A 7.94 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 0.00 113 S 10.29 3.93 0.00 3.77 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 0.00 114 R 5.84 3.26 0.00 1.76 2.03 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.79 0.00 115 N 8.99 5.13 0.00 2.86 2.62 0.00 0.00 7.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 6.57 3.78 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.87 0.00 1.90 1.79 0.00 2.75 0.00 0.00 3.07 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 118 Q 6.74 4.17 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00